
data_-173.783_g26a_fchk_4_5509_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 7.3376
_cell_length_b 43.9069
_cell_length_c 4.5722
_cell_angle_alpha 90.0
_cell_angle_beta 132.4
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.707914810     0.033606070     0.299472440 
C2 C     0.864922240     0.012930440     0.664057580 
C3 C     1.031759000    -0.008593090     0.670614140 
C4 C     1.189609640    -0.029376200     1.034165460 
C5 C     1.356307620    -0.050908980     1.040701290 
C6 C     1.513803090    -0.071691200     1.404325490 
C7 C     1.680458060    -0.093275920     1.411373560 
C8 C     1.837282680    -0.114069590     1.774920720 
C9 C     2.003758480    -0.135740390     1.782531840 
C10 C     2.159512610    -0.156569890     2.145773460 
C11 C     2.325552600    -0.178355210     2.153704050 
C12 C     2.479789920    -0.199261170     2.516268020 
C13 C     2.645462530    -0.221079900     2.524029140 
C14 C     2.797475080    -0.241795970     2.888738350 
C15 C     2.856921460    -0.286219280     2.632500510 
C16 C     2.994665500    -0.330731490     2.477561370 
C17 C     3.185963220    -0.352166760     2.664753890 
C18 C     3.163909520    -0.377657590     2.464963430 
C19 C     2.948756590    -0.382520230     2.070103120 
C20 C     2.757733610    -0.361347790     1.882335230 
C21 C     2.779813650    -0.335614730     2.083403800 
C22 C     2.722127310    -0.415421390     1.508634690 
N1 N     2.956095120    -0.262909660     2.902876220 
N2 N     3.032668160    -0.305364760     2.702139040 
O1 O     2.634771610    -0.289118480     2.357087910 
O2 O     2.944308860    -0.408315210     1.897865860 
H1 H     0.590445090     0.048686170     0.302035010 
H2 H     0.824193910     0.047887530     0.285691240 
H3 H     0.587990930     0.020198270     0.026480580 
H4 H     0.744303330    -0.000544870     0.676121890 
H5 H     0.979065510     0.026906830     0.933164040 
H6 H     0.917702650    -0.022596350     0.401375410 
H7 H     1.152562750     0.004874460     0.658527490 
H8 H     1.068668950    -0.042818190     1.046117570 
H9 H     1.303599910    -0.015358410     1.303214990 
H10 H     1.242378900    -0.064924960     0.771634950 
H11 H     1.477426810    -0.037479120     1.029074830 
H12 H     1.392581170    -0.085093820     1.415978310 
H13 H     1.627769980    -0.057670760     1.673341980 
H14 H     1.566553010    -0.107283760     1.142228200 
H15 H     1.802014620    -0.079890720     1.400362310 
H16 H     1.715569430    -0.127408640     1.786011960 
H17 H     1.951311290    -0.100058090     2.044004490 
H18 H     1.889804200    -0.149721920     1.513147610 
H19 H     2.126030010    -0.122427700     1.772553170 
H20 H     2.037040080    -0.169816490     2.155947390 
H21 H     2.273762860    -0.142589710     2.415096820 
H22 H     2.211483660    -0.192284200     1.883874580 
H23 H     2.449028920    -0.165159970     2.145617900 
H24 H     2.356051300    -0.212389140     2.524717170 
H25 H     2.594274010    -0.185330690     2.785932700 
H26 H     2.532831610    -0.235140340     2.255502120 
H27 H     2.773073680    -0.208156870     2.524213870 
H28 H     2.676046680    -0.255106930     2.899561680 
H29 H     2.916088180    -0.227951230     3.156824940 
H30 H     3.139848990    -0.261266760     3.129229770 
H31 H     3.211026470    -0.300773340     2.939099880 
H32 H     3.354503050    -0.348787510     2.971479850 
H33 H     3.311628970    -0.394185790     2.609372240 
H34 H     2.588732600    -0.364411420     1.577166380 
H35 H     2.631466320    -0.319315610     1.936896660 
H36 H     2.758046260    -0.436408160     1.428037420 
H37 H     2.569362630    -0.419117230     1.496430720 
H38 H     2.670875330    -0.397447790     1.298263370 

#END
data_-173.692_g26a_fchk_19_4141_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 46.3382
_cell_length_b 5.3198
_cell_length_c 8.8242
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.596260100     0.478003710     0.800018670 
C2 C     0.616967200     0.636714400     0.895282580 
C3 C     0.637312430     0.798245710     0.799398170 
C4 C     0.658117660     0.957752870     0.893625270 
C5 C     0.678471610     1.119143220     0.797808340 
C6 C     0.699276360     1.278297730     0.892277310 
C7 C     0.719681160     1.439642840     0.796741970 
C8 C     0.740496690     1.598124130     0.891554530 
C9 C     0.760984870     1.759281240     0.796399790 
C10 C     0.781833660     1.916680740     0.891663270 
C11 C     0.802431410     2.077382660     0.796905850 
C12 C     0.823350870     2.233238720     0.892677420 
C13 C     0.843979810     2.393563270     0.798037910 
C14 C     0.864727140     2.547285080     0.896228450 
C15 C     0.910438440     2.603144390     0.758294300 
C16 C     0.954856700     2.739064280     0.617234140 
C17 C     0.964642330     2.922787290     0.515396700 
C18 C     0.990972770     2.898659070     0.442937650 
C19 C     1.008409530     2.689151690     0.470354060 
C20 C     0.998852400     2.506030700     0.571581860 
C21 C     0.972289100     2.530032810     0.644650110 
C22 C     1.052142970     2.470688740     0.416264250 
N1 N     0.884711530     2.700859920     0.809054360 
N2 N     0.927739020     2.777874890     0.685684460 
O1 O     0.916826900     2.382272210     0.775300320 
O2 O     1.034008550     2.681931340     0.393432220 
H1 H     0.582028950     0.364388330     0.871235780 
H2 H     0.582659710     0.597031480     0.728389160 
H3 H     0.608104210     0.350107700     0.725407180 
H4 H     0.629800200     0.513512660     0.968645180 
H5 H     0.604574010     0.758903180     0.971293850 
H6 H     0.649730600     0.676134890     0.723264160 
H7 H     0.624486640     0.921629570     0.725916590 
H8 H     0.670918860     0.834235800     0.967119950 
H9 H     0.645685140     1.079797570     0.969701580 
H10 H     0.690902350     0.997160000     0.721688260 
H11 H     0.665682900     1.242841690     0.724377800 
H12 H     0.712039410     1.154503610     0.965784880 
H13 H     0.686841230     1.400319100     0.968350380 
H14 H     0.732103930     1.317683620     0.720568690 
H15 H     0.706936590     1.563778840     0.723371560 
H16 H     0.753197890     1.473844080     0.965063750 
H17 H     0.728070230     1.720206260     0.967625550 
H18 H     0.773381970     1.637274510     0.720135340 
H19 H     0.748312060     1.884133080     0.723141720 
H20 H     0.794444610     1.791647440     0.965148490 
H21 H     0.769437550     2.038981200     0.967726000 
H22 H     0.814777360     1.955265320     0.720485170 
H23 H     0.789875570     2.203444770     0.723916780 
H24 H     0.835844290     2.106937480     0.966015880 
H25 H     0.811002830     2.355767350     0.968774580 
H26 H     0.856453990     2.272874370     0.721444520 
H27 H     0.831707210     2.523843020     0.726912440 
H28 H     0.877400790     2.423290570     0.969439870 
H29 H     0.852453890     2.673882130     0.969123270 
H30 H     0.880151610     2.884256550     0.794779340 
H31 H     0.920246380     2.955242570     0.678369780 
H32 H     0.951402200     3.086946390     0.492682090 
H33 H     0.998511810     3.040363980     0.364262550 
H34 H     1.011802860     2.341642860     0.595457730 
H35 H     0.965003010     2.387935760     0.722915210 
H36 H     1.071016600     2.501410840     0.345152950 
H37 H     1.058961400     2.454867930     0.534831690 
H38 H     1.041484610     2.295734240     0.382004090 

#END
data_-171.063_g26a_fchk_60_14439_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,+y,1/2-z
4 1/2-x,1/2-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,-y,1/2+z
8 1/2+x,1/2+y,1/2-z
_cell_length_a 4.8941
_cell_length_b 8.8164
_cell_length_c 103.6686
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.940321850    -0.045629770     0.229357140 
C2 C     1.063237800    -0.183032620     0.222462900 
C3 C     0.941293610    -0.209673610     0.209055980 
C4 C     1.062885890    -0.346876530     0.202076940 
C5 C     0.940911660    -0.373599000     0.188677120 
C6 C     1.062620820    -0.510951390     0.181721750 
C7 C     0.940764620    -0.538055210     0.168325630 
C8 C     1.062492390    -0.675676060     0.161409610 
C9 C     0.940660250    -0.703363200     0.148021790 
C10 C     1.062217220    -0.841426160     0.141163200 
C11 C     0.940165700    -0.869829280     0.127791930 
C12 C     1.061202250    -1.008545710     0.121007150 
C13 C     0.938954590    -1.037164910     0.107651590 
C14 C     1.062675540    -1.176603130     0.101068010 
C15 C     1.045177540    -1.131813290     0.077651210 
C16 C     0.953790520    -1.113256380     0.053862550 
C17 C     0.782023190    -1.166114760     0.044003960 
C18 C     0.817581260    -1.119769170     0.031365290 
C19 C     1.026868490    -1.018572170     0.028189300 
C20 C     1.198069110    -0.965369490     0.037936050 
C21 C     1.162569590    -1.012117420     0.050686010 
C22 C     1.258675820    -0.879336670     0.011787190 
N1 N     0.949114830    -1.206968110     0.088357840 
N2 N     0.903982080    -1.166595430     0.066461350 
O1 O     1.238690670    -1.044611550     0.078156890 
O2 O     1.045897710    -0.979535410     0.015457210 
H1 H     1.030647570    -0.029386130     0.238902310 
H2 H     0.973906640     0.058372960     0.223817150 
H3 H     0.719629590    -0.058948090     0.230622860 
H4 H     1.032891940    -0.284881740     0.228361180 
H5 H     1.284918580    -0.168369090     0.221577880 
H6 H     0.719388630    -0.224371610     0.209929620 
H7 H     0.971556420    -0.107780650     0.203144620 
H8 H     1.032672120    -0.448676220     0.207998340 
H9 H     1.284741300    -0.332086360     0.201206440 
H10 H     0.719041970    -0.388354130     0.189543740 
H11 H     0.971256650    -0.271882650     0.182748060 
H12 H     1.032433730    -0.612604880     0.187661510 
H13 H     1.284470190    -0.496149050     0.180852540 
H14 H     0.718874190    -0.552744770     0.169190620 
H15 H     0.971242170    -0.436546380     0.162372710 
H16 H     1.032302820    -0.777082930     0.167380140 
H17 H     1.284335620    -0.660907510     0.160536370 
H18 H     0.718736660    -0.717892060     0.148889720 
H19 H     0.971374760    -0.602199890     0.142030390 
H20 H     1.031964840    -0.942459810     0.147179670 
H21 H     1.284040610    -0.826775140     0.140275490 
H22 H     0.718200030    -0.884053040     0.128667250 
H23 H     0.971402540    -0.769276400     0.121738790 
H24 H     1.030556030    -1.109038500     0.127092070 
H25 H     1.282989440    -0.994112560     0.120103270 
H26 H     0.717012140    -1.051787120     0.108439010 
H27 H     0.973755780    -0.938732720     0.101433550 
H28 H     1.032380910    -1.277710480     0.107020230 
H29 H     1.282278560    -1.160507680     0.099866830 
H30 H     0.787475270    -1.277030210     0.087674990 
H31 H     0.747260810    -1.240176360     0.067200360 
H32 H     0.618212300    -1.244747830     0.046284090 
H33 H     0.685138300    -1.160660770     0.023756660 
H34 H     1.361913710    -0.886944660     0.035818270 
H35 H     1.295443640    -0.970563710     0.058190610 
H36 H     1.238101650    -0.863863530     0.001413290 
H37 H     1.239455450    -0.769115150     0.016594750 
H38 H     1.460318140    -0.927324860     0.013915320 

#END
data_-170.334_g26a_fchk_2_15991_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 5.4663
_cell_length_b 13.407
_cell_length_c 22.5251
_cell_angle_alpha 96.6369
_cell_angle_beta 80.582
_cell_angle_gamma 138.1174
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.314403330     0.806404670     0.212894080 
C2 C     0.586661260     0.884443860     0.259305460 
C3 C     0.521563220     0.775795360     0.296029660 
C4 C     0.792499390     0.852748750     0.342591290 
C5 C     0.727365380     0.744161790     0.379337510 
C6 C     0.998395640     0.821355250     0.425911420 
C7 C     0.933597630     0.713010490     0.462776300 
C8 C     1.204568430     0.790538970     0.509392440 
C9 C     1.140067460     0.682513110     0.546448780 
C10 C     1.410723770     0.760470460     0.593160990 
C11 C     1.346229950     0.652765060     0.630465330 
C12 C     1.616140290     0.731186760     0.677356340 
C13 C     1.551419180     0.623579530     0.714732920 
C14 C     1.824011050     0.704499520     0.761392680 
C15 C     1.517065580     0.537168680     0.848765710 
C16 C     1.285557420     0.367439990     0.933053380 
C17 C     1.278967050     0.267814330     0.949817370 
C18 C     1.061347430     0.178949280     1.000836300 
C19 C     0.842898470     0.187152050     1.036836740 
C20 C     0.848466750     0.286052750     1.020521690 
C21 C     1.067609360     0.375661330     0.969047890 
C22 C     0.406000370     0.097582840     1.123281420 
N1 N     1.767682860     0.604678630     0.797821760 
N2 N     1.513828460     0.453406530     0.880315390 
O1 O     1.316413170     0.549967510     0.863537080 
O2 O     0.637313970     0.094984000     1.086245780 
H1 H     0.366734220     0.886463620     0.187403290 
H2 H     0.333743520     0.744242190     0.180714240 
H3 H     0.029952260     0.726815380     0.234662560 
H4 H     0.568258760     0.948845130     0.290001280 
H5 H     0.869456550     0.965816170     0.236498090 
H6 H     0.238563520     0.694285840     0.318882580 
H7 H     0.539910880     0.711271310     0.265342210 
H8 H     0.774106630     0.917303050     0.373229200 
H9 H     1.075367410     0.934211930     0.319706350 
H10 H     0.444482650     0.662656430     0.402216360 
H11 H     0.746016530     0.679660330     0.348727390 
H12 H     0.979852060     0.885949840     0.456472530 
H13 H     1.281241750     0.902817180     0.403021050 
H14 H     0.650662280     0.631458150     0.485636050 
H15 H     0.952669430     0.648534710     0.432257890 
H16 H     1.185710690     0.855180400     0.539828350 
H17 H     1.487448280     0.871992620     0.486519580 
H18 H     0.856985860     0.600888980     0.569251390 
H19 H     1.159853460     0.618093280     0.516080100 
H20 H     1.391318160     0.825154850     0.623413220 
H21 H     1.693725140     0.841894010     0.570349330 
H22 H     1.062887050     0.571022900     0.653155380 
H23 H     1.367375050     0.588520040     0.600344440 
H24 H     1.595539590     0.795816760     0.707365660 
H25 H     1.899305970     0.812610190     0.654644540 
H26 H     1.268829770     0.541570870     0.737672230 
H27 H     1.579252830     0.560931280     0.685261360 
H28 H     1.804962760     0.768865310     0.791756030 
H29 H     2.105189690     0.782705140     0.738663000 
H30 H     1.932093160     0.593372140     0.787088800 
H31 H     1.692234950     0.450998610     0.863888800 
H32 H     1.446923410     0.259906140     0.922427030 
H33 H     1.056075920     0.101988800     1.013742600 
H34 H     0.682998630     0.295277330     1.047364290 
H35 H     1.071098760     0.452042000     0.956643830 
H36 H     0.267966370     0.016901330     1.159313670 
H37 H     0.565746510     0.208246810     1.142732960 
H38 H     0.198659730     0.064714270     1.098348410 

#END
data_-169.944_g26a_fchk_14_8213_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 52.8655
_cell_length_b 4.3184
_cell_length_c 56.4469
_cell_angle_alpha 90.0
_cell_angle_beta 170.2767
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.055792630     0.292538840     0.420701340 
C2 C     0.223629300     0.363542180     0.575198370 
C3 C     0.297128120     0.289975570     0.619200920 
C4 C     0.465042370     0.360189900     0.773583550 
C5 C     0.538574110     0.286498990     0.817631370 
C6 C     0.706517990     0.356607610     0.972090830 
C7 C     0.780378100     0.282760680     1.016471060 
C8 C     0.948367240     0.352497180     1.171050570 
C9 C     1.022698010     0.278234960     1.215909850 
C10 C     1.190773420     0.347188700     1.370680050 
C11 C     1.265621160     0.272124410     1.416074330 
C12 C     1.433845440     0.339701540     1.571120470 
C13 C     1.508781660     0.264203270     1.616627440 
C14 C     1.676982390     0.333010300     1.772092940 
C15 C     1.718906960     0.426741970     1.768303390 
C16 C     1.786991700     0.437066350     1.787985840 
C17 C     1.898853600     0.340769680     1.875420400 
C18 C     1.902314420     0.448041140     1.855527370 
C19 C     1.793413200     0.655674450     1.746995430 
C20 C     1.681773560     0.752004360     1.659550970 
C21 C     1.678220970     0.644182670     1.679568500 
C22 C     1.691544850     0.939742730     1.620520000 
N1 N     1.751356190     0.261923080     1.818468110 
N2 N     1.792050000     0.317446980     1.815872890 
O1 O     1.634699060     0.649512060     1.690665040 
O2 O     1.806229260     0.748650030     1.735761350 
H1 H     0.006257960     0.346708430     0.392195590 
H2 H    -0.003898520     0.427496110     0.352179100 
H3 H     0.034727730     0.047485870     0.397609680 
H4 H     0.280098430     0.231509360     0.641307780 
H5 H     0.241796990     0.608513420     0.596190350 
H6 H     0.279018570     0.044808360     0.598239530 
H7 H     0.240674210     0.422021350     0.553079700 
H8 H     0.521372380     0.228205150     0.839603190 
H9 H     0.483050480     0.605351510     0.794450160 
H10 H     0.520552630     0.041367020     0.796743900 
H11 H     0.482369650     0.418604250     0.751723370 
H12 H     0.762634830     0.224652220     1.037936590 
H13 H     0.724508430     0.601764260     0.992942430 
H14 H     0.762304900     0.037660330     0.995529180 
H15 H     0.724485870     0.414989440     0.950827310 
H16 H     1.004119980     0.220543300     1.236597090 
H17 H     0.966405990     0.597646010     1.191941800 
H18 H     1.004466680     0.033193730     1.194817400 
H19 H     0.967321630     0.410679680     1.150704860 
H20 H     1.245971040     0.215179090     1.435767200 
H21 H     1.208982230     0.592313950     1.391710400 
H22 H     1.247083260     0.027207420     1.394693710 
H23 H     1.211138280     0.405025140     1.351641160 
H24 H     1.488193000     0.207286400     1.635494130 
H25 H     1.452317960     0.584727100     1.592378390 
H26 H     1.491019390     0.019506670     1.595841990 
H27 H     1.457373020     0.400242760     1.554979020 
H28 H     1.732550390     0.201247990     1.837420600 
H29 H     1.695185200     0.578474940     1.792470640 
H30 H     1.820020130     0.077371580     1.881196110 
H31 H     1.858909040     0.131391600     1.879619600 
H32 H     1.984394920     0.179448470     1.960274960 
H33 H     1.988714070     0.373888600     1.923077510 
H34 H     1.595770050     0.912327910     1.574550500 
H35 H     1.591579740     0.719262150     1.611590180 
H36 H     1.723317460     0.987378110     1.631587930 
H37 H     1.582644930     0.822580320     1.520235890 
H38 H     1.682706790     1.158621700     1.622096030 

#END
data_-169.166_g26a_fchk_19_922_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 47.0723
_cell_length_b 5.373
_cell_length_c 8.7074
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.658761090     0.544281660     0.318454320 
C2 C     0.679476170     0.698752170     0.222331120 
C3 C     0.699998730     0.853082760     0.319934450 
C4 C     0.720813350     1.008305450     0.224864120 
C5 C     0.741321430     1.162727940     0.322397450 
C6 C     0.762097070     1.317988540     0.227079010 
C7 C     0.782607420     1.472846750     0.324324250 
C8 C     0.803309900     1.628282150     0.228651330 
C9 C     0.823811020     1.783871080     0.325505390 
C10 C     0.844397780     1.939725130     0.229364660 
C11 C     0.864863210     2.096303620     0.325807040 
C12 C     0.885287580     2.252955670     0.229134850 
C13 C     0.905715110     2.409848350     0.325453030 
C14 C     0.925883750     2.565267780     0.226319320 
C15 C     0.969919030     2.616517550     0.375350640 
C16 C     1.011455610     2.741049180     0.539303970 
C17 C     1.021073760     2.926321480     0.640242910 
C18 C     1.046580320     2.901332370     0.717655510 
C19 C     1.063310660     2.689183160     0.696460620 
C20 C     1.053871190     2.504122560     0.596544190 
C21 C     1.028159950     2.529180870     0.518296970 
C22 C     1.104942430     2.463278090     0.766468750 
N1 N     0.945488970     2.717408670     0.315044770 
N2 N     0.985293150     2.781755030     0.464701110 
O1 O     0.977121970     2.402225120     0.349637480 
O2 O     1.088141470     2.681473950     0.777781490 
H1 H     0.644345690     0.436340310     0.245974380 
H2 H     0.670139990     0.413628900     0.392700060 
H3 H     0.645806370     0.663631590     0.392395840 
H4 H     0.667533540     0.823364390     0.146329050 
H5 H     0.691723190     0.575434960     0.146947540 
H6 H     0.687763410     0.976605390     0.395441900 
H7 H     0.711962400     0.728510420     0.396058320 
H8 H     0.708831570     1.132684890     0.148726980 
H9 H     0.733039250     0.884669850     0.149415220 
H10 H     0.729102080     1.286340950     0.397891310 
H11 H     0.753325310     1.038430210     0.398470590 
H12 H     0.750079310     1.442078120     0.150928190 
H13 H     0.774320010     1.194333800     0.151633320 
H14 H     0.770389580     1.596389460     0.399872600 
H15 H     0.794666220     1.348867740     0.400338170 
H16 H     0.791229620     1.751906910     0.152497520 
H17 H     0.815540770     1.504693510     0.153207840 
H18 H     0.811584280     1.907202200     0.401146910 
H19 H     0.835959670     1.660409430     0.401408330 
H20 H     0.832221260     2.062677880     0.153232870 
H21 H     0.856657060     1.816367350     0.153930030 
H22 H     0.852617020     2.219214770     0.401608310 
H23 H     0.877163360     1.973677860     0.401442430 
H24 H     0.872953320     2.375073230     0.153146280 
H25 H     0.897578780     2.129978310     0.153665050 
H26 H     0.893645260     2.533670710     0.401435660 
H27 H     0.918529190     2.289056710     0.399223320 
H28 H     0.913831120     2.688624730     0.150471030 
H29 H     0.938632680     2.442450330     0.154126090 
H30 H     0.939940780     2.893872080     0.339466710 
H31 H     0.977268630     2.954226440     0.478094780 
H32 H     1.008363810     3.092446710     0.658248190 
H33 H     1.054010460     3.044413370     0.795459460 
H34 H     1.066277930     2.337572470     0.577526190 
H35 H     1.020945790     2.385436680     0.441207890 
H36 H     1.123505610     2.495761970     0.838311640 
H37 H     1.093505340     2.299298790     0.808739440 
H38 H     1.111812910     2.429526040     0.648000630 

#END
data_-168.374_g26a_fchk_14_2019_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 5.3184
_cell_length_b 8.9292
_cell_length_c 48.5726
_cell_angle_alpha 90.0
_cell_angle_beta 109.2784
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.017333070     0.088927640     0.093929160 
C2 C    -0.059582670     0.183474130     0.116181160 
C3 C    -0.167100200     0.089978000     0.136257690 
C4 C    -0.244631250     0.183508540     0.158601160 
C5 C    -0.352274880     0.090088710     0.178663570 
C6 C    -0.429925200     0.183872940     0.200969620 
C7 C    -0.537955640     0.090752170     0.221037380 
C8 C    -0.615951440     0.184909310     0.243272090 
C9 C    -0.724684930     0.092204480     0.263334550 
C10 C    -0.803384770     0.186867830     0.285455480 
C11 C    -0.913159920     0.094618230     0.305485770 
C12 C    -0.993079120     0.189880230     0.327445810 
C13 C    -1.103267630     0.097776370     0.347438590 
C14 C    -1.182348300     0.195444160     0.369161340 
C15 C    -1.121942470     0.045540600     0.413400950 
C16 C    -1.144669780    -0.116376350     0.454798520 
C17 C    -1.311281910    -0.216543680     0.462871990 
C18 C    -1.219626780    -0.296743000     0.488638490 
C19 C    -0.957238750    -0.279204110     0.507189850 
C20 C    -0.790389990    -0.180066590     0.499291370 
C21 C    -0.882642040    -0.099015710     0.473320330 
C22 C    -0.618161330    -0.352420380     0.551077030 
N1 N    -1.289097210     0.110727080     0.388387570 
N2 N    -1.254244550    -0.038793210     0.428247320 
O1 O    -0.880848320     0.063235710     0.421508730 
O2 O    -0.885179850    -0.363086510     0.532134620 
H1 H     0.092999410     0.158429770     0.079867210 
H2 H     0.172246820     0.007621530     0.104808380 
H3 H    -0.154106150     0.026285280     0.079918870 
H4 H    -0.209873690     0.266367980     0.104740640 
H5 H     0.113901160     0.247535050     0.129479800 
H6 H    -0.340774130     0.025802920     0.122969830 
H7 H    -0.016803590     0.006961750     0.147718570 
H8 H    -0.394787200     0.266533960     0.147121810 
H9 H    -0.070881640     0.247624270     0.171878730 
H10 H    -0.525988640     0.025926440     0.165392250 
H11 H    -0.202123320     0.007122920     0.190166240 
H12 H    -0.579897760     0.266908540     0.189453460 
H13 H    -0.256165910     0.247985500     0.214244120 
H14 H    -0.711602440     0.026533340     0.207767040 
H15 H    -0.387947030     0.007842930     0.232597050 
H16 H    -0.765647630     0.267944180     0.231691760 
H17 H    -0.442234670     0.249020530     0.256554710 
H18 H    -0.898160570     0.027888010     0.250054090 
H19 H    -0.574903930     0.009401300     0.274987560 
H20 H    -0.952703470     0.269877750     0.273776130 
H21 H    -0.629814540     0.250972980     0.298767190 
H22 H    -1.086297440     0.030132900     0.292183640 
H23 H    -0.763713430     0.012070260     0.317297010 
H24 H    -1.142063830     0.272757460     0.315603110 
H25 H    -0.819788300     0.254027940     0.340790700 
H26 H    -1.276809020     0.033106800     0.334315590 
H27 H    -0.953798710     0.016977780     0.359796160 
H28 H    -1.331737500     0.278162270     0.357606190 
H29 H    -1.008322610     0.256288270     0.382942060 
H30 H    -1.486837630     0.092938490     0.382086760 
H31 H    -1.454000990    -0.045606950     0.419475930 
H32 H    -1.515739570    -0.231723160     0.448736270 
H33 H    -1.348288410    -0.373955280     0.494876760 
H34 H    -0.586278900    -0.163843610     0.513125720 
H35 H    -0.752741560    -0.022540400     0.467302530 
H36 H    -0.603503770    -0.426395580     0.569360380 
H37 H    -0.477093930    -0.389264890     0.540338820 
H38 H    -0.568377060    -0.237871120     0.559152770 

#END
data_-168.260_g26a_fchk_15_11612_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 43.3112
_cell_length_b 5.4452
_cell_length_c 48.8629
_cell_angle_alpha 90.0
_cell_angle_beta 157.4806
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.271410430     0.790182630     0.668873650 
C2 C     0.331855380     0.957693680     0.703853010 
C3 C     0.294357220     1.104299260     0.649646490 
C4 C     0.354327620     1.272463340     0.684095900 
C5 C     0.316873920     1.418940450     0.629921330 
C6 C     0.376975960     1.586790900     0.664491320 
C7 C     0.339705510     1.733261520     0.610434150 
C8 C     0.400007370     1.900499260     0.645175700 
C9 C     0.362998710     2.046838390     0.591275620 
C10 C     0.423582000     2.213079930     0.626240920 
C11 C     0.386869910     2.359030790     0.572503700 
C12 C     0.447803170     2.523835570     0.607718240 
C13 C     0.411183940     2.669435120     0.554034900 
C14 C     0.473273910     2.832450590     0.590474950 
C15 C     0.437003910     2.873539330     0.512155560 
C16 C     0.395908200     2.991940480     0.430824980 
C17 C     0.354457380     3.172351710     0.381978540 
C18 C     0.339235810     3.143322750     0.341866330 
C19 C     0.365189750     2.932059910     0.349467640 
C20 C     0.406527590     2.752187820     0.397980140 
C21 C     0.421863810     2.781143510     0.438430100 
C22 C     0.367363660     2.701218660     0.309788290 
N1 N     0.440142820     2.972363020     0.540610660 
N2 N     0.408611910     3.035721800     0.469326470 
O1 O     0.456772790     2.661785130     0.523600060 
O2 O     0.347291890     2.919956220     0.307533100 
H1 H     0.299772670     0.687536570     0.708739750 
H2 H     0.221700020     0.896525670     0.636910350 
H3 H     0.245337190     0.657023970     0.633275410 
H4 H     0.381972160     0.847457050     0.736940720 
H5 H     0.358366540     1.085435970     0.740388350 
H6 H     0.267800370     0.976619120     0.613044820 
H7 H     0.244180740     1.214698990     0.616497220 
H8 H     0.404495450     1.161934150     0.717261390 
H9 H     0.380845790     1.400071170     0.720676290 
H10 H     0.290330580     1.291387010     0.593319730 
H11 H     0.266743900     1.529654960     0.596778240 
H12 H     0.427128250     1.475991330     0.697679980 
H13 H     0.403491060     1.714375450     0.701071450 
H14 H     0.313128410     1.605724450     0.573809550 
H15 H     0.289628950     1.844412090     0.577296790 
H16 H     0.450125520     1.789223170     0.678393740 
H17 H     0.426526490     2.028143220     0.681751020 
H18 H     0.336356830     1.919242340     0.554617050 
H19 H     0.313016420     2.158704070     0.558154260 
H20 H     0.473637950     2.101062200     0.659490440 
H21 H     0.450114530     2.340937200     0.662798770 
H22 H     0.360112320     2.231304880     0.535789640 
H23 H     0.337084070     2.472115040     0.539447610 
H24 H     0.497726070     2.410558170     0.640960940 
H25 H     0.474384100     2.651921990     0.644273110 
H26 H     0.384400500     2.543086310     0.517171940 
H27 H     0.362461760     2.786873660     0.521675330 
H28 H     0.523212330     2.721414310     0.623556000 
H29 H     0.498178010     2.964108200     0.625426100 
H30 H     0.424227570     3.148264230     0.530830890 
H31 H     0.394130360     3.206343780     0.463747610 
H32 H     0.333845920     3.337801320     0.375348600 
H33 H     0.307192720     3.282481470     0.304132970 
H34 H     0.427485610     2.586559990     0.405219160 
H35 H     0.453904040     2.641537430     0.475911380 
H36 H     0.347997620     2.729158200     0.272871030 
H37 H     0.432457850     2.666710690     0.363454900 
H38 H     0.335841000     2.541825580     0.292534800 

#END
data_-168.099_g26a_fchk_2_11022_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 32.9478
_cell_length_b 13.66
_cell_length_c 5.431
_cell_angle_alpha 149.762
_cell_angle_beta 65.2197
_cell_angle_gamma 115.2329
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.251646410     0.958620730     0.106154160 
C2 C     0.301400910     0.935786810    -0.035685750 
C3 C     0.332962630     1.068689240     0.002277120 
C4 C     0.382816920     1.046967410    -0.138841810 
C5 C     0.414376320     1.179718530    -0.101222320 
C6 C     0.464209180     1.157600260    -0.242992190 
C7 C     0.495841120     1.290006440    -0.206306080 
C8 C     0.545633720     1.267204770    -0.349356440 
C9 C     0.577362710     1.399044940    -0.314269610 
C10 C     0.627097070     1.375197330    -0.459481770 
C11 C     0.658917890     1.506256250    -0.426663840 
C12 C     0.708579750     1.480982560    -0.575123420 
C13 C     0.740396310     1.611672480    -0.543264550 
C14 C     0.789848450     1.583541420    -0.694447750 
C15 C     0.838445300     1.893635180    -0.238701710 
C16 C     0.888912020     2.185646800     0.098161330 
C17 C     0.918070410     2.247028860    -0.038564650 
C18 C     0.942843960     2.432632130     0.298788730 
C19 C     0.939162120     2.563160230     0.785549050 
C20 C     0.910203530     2.503329920     0.924324640 
C21 C     0.885224240     2.316111840     0.584339330 
C22 C     0.964735690     2.874603300     1.578638960 
N1 N     0.820882880     1.705526020    -0.669806680 
N2 N     0.865065050     1.994004180    -0.268772780 
O1 O     0.831243520     1.961845930     0.129178640 
O2 O     0.964977160     2.742980670     1.091334300 
H1 H     0.229885860     0.861966900     0.075089500 
H2 H     0.245913470     1.109523970     0.485763270 
H3 H     0.240592190     0.923213800    -0.131489020 
H4 H     0.306003240     0.782488190    -0.412641840 
H5 H     0.311322500     0.967784130     0.200320940 
H6 H     0.323064330     1.036789780    -0.233828490 
H7 H     0.328378970     1.222175130     0.379478590 
H8 H     0.387360390     0.893439150    -0.515919430 
H9 H     0.392687000     1.078901290     0.097409300 
H10 H     0.404507930     1.147858470    -0.337335550 
H11 H     0.409874150     1.333277030     0.275870650 
H12 H     0.468680810     1.003971660    -0.619958750 
H13 H     0.474073410     1.189528050    -0.006735260 
H14 H     0.485962620     1.258217460    -0.442243840 
H15 H     0.491443790     1.443688180     0.170736690 
H16 H     0.549982480     1.113407780    -0.726171420 
H17 H     0.555514090     1.299153410    -0.113128220 
H18 H     0.567443660     1.367348620    -0.549869730 
H19 H     0.573137740     1.552917920     0.062684060 
H20 H     0.631258510     1.221150360    -0.836106890 
H21 H     0.637034510     1.407223000    -0.223346310 
H22 H     0.648918520     1.474714990    -0.661633860 
H23 H     0.654987440     1.660397070    -0.049878210 
H24 H     0.712450550     1.326537410    -0.951755460 
H25 H     0.718597470     1.513024280    -0.339324400 
H26 H     0.730688010     1.580858800    -0.777871780 
H27 H     0.737454650     1.766230150    -0.166371830 
H28 H     0.794176600     1.430198290    -1.070301150 
H29 H     0.800143910     1.620361420    -0.451615730 
H30 H     0.827022930     1.653897300    -0.965777410 
H31 H     0.868610590     1.922912040    -0.591732120 
H32 H     0.921368990     2.147709550    -0.415025230 
H33 H     0.965370770     2.479928110     0.193128550 
H34 H     0.906530240     2.600612880     1.297861890 
H35 H     0.862852470     2.270587100     0.693609190 
H36 H     0.987267500     3.006508220     1.756083840 
H37 H     0.930864810     2.912408100     1.780538440 
H38 H     0.977252570     2.813707010     1.583427200 

#END
data_-167.956_g26a_fchk_14_12955_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 5.285
_cell_length_b 8.5622
_cell_length_c 71.9895
_cell_angle_alpha 90.0
_cell_angle_beta 137.6362
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.821173760     0.046018930     0.106177030 
C2 C     0.957460980    -0.004003370     0.094315960 
C3 C     0.640983800    -0.064254340     0.064672460 
C4 C     0.774379210    -0.114600830     0.052613860 
C5 C     0.458114140    -0.174928350     0.022985790 
C6 C     0.592234610    -0.225353570     0.010980080 
C7 C     0.276605280    -0.285920740    -0.018635240 
C8 C     0.411819120    -0.336560920    -0.030554850 
C9 C     0.097089730    -0.397557790    -0.060146950 
C10 C     0.233805750    -0.448627110    -0.071942920 
C11 C    -0.079893900    -0.510253020    -0.101496090 
C12 C     0.058622950    -0.562055870    -0.113136010 
C13 C    -0.254664900    -0.623928870    -0.142656300 
C14 C    -0.109337090    -0.675326450    -0.153830740 
C15 C    -0.437635680    -0.680983980    -0.201712660 
C16 C    -0.854747510    -0.715205030    -0.252176710 
C17 C    -1.179490120    -0.791261850    -0.276109930 
C18 C    -1.307261110    -0.771027860    -0.301028750 
C19 C    -1.113372340    -0.673547790    -0.302780880 
C20 C    -0.790828810    -0.597385850    -0.279098120 
C21 C    -0.661477160    -0.617789110    -0.253946560 
C22 C    -1.101475350    -0.548850910    -0.331744870 
N1 N    -0.401424110    -0.735445310    -0.181862170 
N2 N    -0.743417130    -0.742728380    -0.227637540 
O1 O    -0.215724490    -0.588458820    -0.196460790 
O2 O    -1.260995600    -0.661056030    -0.328257340 
H1 H     1.052621110     0.088267340     0.127349400 
H2 H     0.613531100     0.139849790     0.093895700 
H3 H     0.688639910    -0.051523090     0.106302950 
H4 H     1.171756700    -0.095158190     0.107376070 
H5 H     1.096311290     0.094713710     0.094996420 
H6 H     0.501785210    -0.163078930     0.063965520 
H7 H     0.426320840     0.026907840     0.051583240 
H8 H     0.989154790    -0.205679930     0.065724070 
H9 H     0.913484070    -0.015728900     0.053326010 
H10 H     0.318880940    -0.273777610     0.022264900 
H11 H     0.243399460    -0.083855290     0.009861670 
H12 H     0.807197860    -0.316323710     0.024128230 
H13 H     0.731344420    -0.126475690     0.011694820 
H14 H     0.137243660    -0.384728390    -0.019360420 
H15 H     0.061800210    -0.194936500    -0.031806410 
H16 H     0.627057020    -0.427365820    -0.017343800 
H17 H     0.550889310    -0.237708330    -0.029848460 
H18 H    -0.042441820    -0.496260480    -0.060867800 
H19 H    -0.117829770    -0.306715730    -0.073393630 
H20 H     0.449401160    -0.539204830    -0.058638730 
H21 H     0.372732220    -0.349861650    -0.071266360 
H22 H    -0.219697040    -0.608749230    -0.102204580 
H23 H    -0.294815690    -0.419624890    -0.114861660 
H24 H     0.274535170    -0.652424710    -0.099696470 
H25 H     0.197485140    -0.463457760    -0.112492140 
H26 H    -0.395620040    -0.722662810    -0.143547090 
H27 H    -0.467283840    -0.533383040    -0.156308650 
H28 H     0.105099920    -0.765939250    -0.140662510 
H29 H     0.020119240    -0.576181590    -0.153858500 
H30 H    -0.590785920    -0.810483160    -0.186847750 
H31 H    -0.907893970    -0.818169790    -0.229549250 
H32 H    -1.333999400    -0.867417880    -0.275159650 
H33 H    -1.557716680    -0.829823750    -0.319492390 
H34 H    -0.634163030    -0.521093430    -0.279722450 
H35 H    -0.411966620    -0.558541120    -0.235691650 
H36 H    -1.256442200    -0.558425410    -0.353137590 
H37 H    -1.131441560    -0.430091230    -0.327880430 
H38 H    -0.803600850    -0.572636770    -0.318177970 

#END
data_-167.437_g26a_fchk_2_10119_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 23.2092
_cell_length_b 10.8776
_cell_length_c 4.7838
_cell_angle_alpha 94.2358
_cell_angle_beta 64.1722
_cell_angle_gamma 90.4341
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.604810090     0.175814460    -0.003337080 
C2 C     0.622971900     0.291597640     0.138637080 
C3 C     0.694132740     0.293411690     0.064223400 
C4 C     0.712799460     0.408864440     0.205190050 
C5 C     0.783926740     0.410675290     0.131006850 
C6 C     0.802469030     0.526157040     0.272476400 
C7 C     0.873557330     0.528137610     0.198988400 
C8 C     0.891905430     0.643607370     0.341368350 
C9 C     0.962933830     0.645780090     0.269007090 
C10 C     0.981012340     0.761174650     0.412847990 
C11 C     1.051956770     0.763469610     0.341994060 
C12 C     1.069709170     0.878682760     0.487930150 
C13 C     1.140588260     0.880933820     0.417677960 
C14 C     1.157169680     0.996844410     0.566544970 
C15 C     1.243813050     1.078405900     0.685970100 
C16 C     1.344907230     1.142313580     0.720212580 
C17 C     1.410333000     1.111687930     0.602205210 
C18 C     1.448416700     1.170892440     0.723293950 
C19 C     1.422107910     1.263033820     0.967075650 
C20 C     1.357161000     1.294105570     1.085194440 
C21 C     1.318683180     1.234394970     0.963445720 
C22 C     1.440268380     1.417795540     1.297399730 
N1 N     1.224305440     1.001159540     0.504662450 
N2 N     1.309550660     1.077181860     0.584258360 
O1 O     1.205926360     1.140234600     0.915657250 
O2 O     1.463487250     1.316083690     1.071187640 
H1 H     0.553785590     0.176829840     0.053736850 
H2 H     0.631524350     0.167828840    -0.257387100 
H3 H     0.615514030     0.092524280     0.082355120 
H4 H     0.594405100     0.299015420     0.392109630 
H5 H     0.610457900     0.373681770     0.054545770 
H6 H     0.706716020     0.211287160     0.148299060 
H7 H     0.722768480     0.285984620    -0.189454030 
H8 H     0.684116170     0.416248010     0.458801540 
H9 H     0.700208380     0.490928190     0.120995630 
H10 H     0.796538250     0.328604960     0.215098850 
H11 H     0.812632990     0.403393760    -0.122569520 
H12 H     0.773702650     0.533445490     0.526024900 
H13 H     0.789872710     0.608210350     0.188276060 
H14 H     0.886180200     0.446040810     0.282950000 
H15 H     0.902357890     0.521049740    -0.054510810 
H16 H     0.863003720     0.650717930     0.594818170 
H17 H     0.879327390     0.725682100     0.257184750 
H18 H     0.975550880     0.563605050     0.352721790 
H19 H     0.991884410     0.639017260     0.015646420 
H20 H     0.951913320     0.767995250     0.666154360 
H21 H     0.968499510     0.843325560     0.328718110 
H22 H     1.064552640     0.681148700     0.425255730 
H23 H     1.081135160     0.757302480     0.088925000 
H24 H     1.040338680     0.884961920     0.741115580 
H25 H     1.057267470     0.960944160     0.404017620 
H26 H     1.153579660     0.799018630     0.500672150 
H27 H     1.170191310     0.877360820     0.165790550 
H28 H     1.128371530     1.003861720     0.819280840 
H29 H     1.146340200     1.078544940     0.476852250 
H30 H     1.256664880     0.952224210     0.314844960 
H31 H     1.336180720     1.022531810     0.391270740 
H32 H     1.431644920     1.040371730     0.412744850 
H33 H     1.498896110     1.147182520     0.632359580 
H34 H     1.335263890     1.364984490     1.273610640 
H35 H     1.268481780     1.258820330     1.055509780 
H36 H     1.480110660     1.445306320     1.348329330 
H37 H     1.425178860     1.495352510     1.208649950 
H38 H     1.400120800     1.392324900     1.511681570 

#END
data_-167.360_g26a_fchk_2_1318_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 32.8236
_cell_length_b 16.4594
_cell_length_c 4.8274
_cell_angle_alpha 32.9183
_cell_angle_beta 129.3571
_cell_angle_gamma 120.9713
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.279243170     0.804026120     0.848189250 
C2 C     0.306687510     0.941252780     0.464876380 
C3 C     0.362206460     0.955857640     0.780583500 
C4 C     0.390005200     1.092790370     0.400891910 
C5 C     0.445495290     1.107477260     0.716286730 
C6 C     0.473196700     1.244572940     0.335628310 
C7 C     0.528671010     1.259641440     0.649801200 
C8 C     0.556211430     1.397019920     0.267685390 
C9 C     0.611651690     1.412666470     0.580122550 
C10 C     0.638958530     1.550498410     0.195976350 
C11 C     0.694332550     1.566846440     0.506456230 
C12 C     0.721340900     1.705331700     0.119822400 
C13 C     0.776651920     1.721890670     0.429666730 
C14 C     0.802822060     1.861296400     0.034310530 
C15 C     0.898928400     1.812143090     0.575813970 
C16 C     0.996972010     1.783025880     1.148678690 
C17 C     1.038984160     1.839168360     1.320542050 
C18 C     1.090686040     1.795653950     1.608063700 
C19 C     1.101991720     1.694090390     1.733432310 
C20 C     1.060451520     1.637637950     1.564847560 
C21 C     1.008287810     1.681525550     1.274419520 
C22 C     1.167626520     1.564058230     2.116849150 
N1 N     0.855443740     1.880251720     0.317606480 
N2 N     0.945538630     1.833609990     0.856131520 
O1 O     0.895905160     1.741511690     0.549494200 
O2 O     1.154213950     1.657994060     2.018196360 
H1 H     0.239695160     0.796458550     0.612079340 
H2 H     0.301674140     0.700752230     1.187848150 
H3 H     0.275394780     0.807983380     1.045970760 
H4 H     0.282772900     1.042718980     0.120649130 
H5 H     0.308974170     0.936193460     0.262575240 
H6 H     0.359967600     0.960935720     0.983260940 
H7 H     0.386175010     0.854338670     1.125263220 
H8 H     0.365995380     1.194224500     0.056220680 
H9 H     0.392231510     1.087621010     0.198460480 
H10 H     0.443284960     1.112609770     0.918899310 
H11 H     0.469535710     1.006127240     1.060723490 
H12 H     0.449111590     1.345873110    -0.009019990 
H13 H     0.475417700     1.239391960     0.133212420 
H14 H     0.526467440     1.264707850     0.852642510 
H15 H     0.552808120     1.158490110     0.993966450 
H16 H     0.532000610     1.498091890    -0.076864470 
H17 H     0.558449020     1.391870000     0.065260580 
H18 H     0.609436340     1.417574880     0.783377520 
H19 H     0.635944680     1.311847250     0.923794380 
H20 H     0.614560380     1.651222140    -0.148344510 
H21 H     0.641255370     1.545456390    -0.006474460 
H22 H     0.692087220     1.571456630     0.710438820 
H23 H     0.718874720     1.466621440     0.849021300 
H24 H     0.696665310     1.805538350    -0.223849620 
H25 H     0.723704050     1.700494670    -0.082871920 
H26 H     0.774765650     1.726852730     0.634166070 
H27 H     0.801846700     1.623829970     0.765447560 
H28 H     0.778686690     1.962060960    -0.308983530 
H29 H     0.806413070     1.854592360    -0.155977360 
H30 H     0.859053420     1.936490870     0.351249870 
H31 H     0.943274740     1.893903380     0.849998380 
H32 H     1.030983350     1.918138630     1.227175120 
H33 H     1.123105720     1.839077360     1.740288770 
H34 H     1.067787670     1.558839240     1.655146420 
H35 H     0.976297170     1.637465600     1.145243140 
H36 H     1.210446270     1.550026270     2.343572380 
H37 H     1.150389470     1.454261480     2.376880620 
H38 H     1.154904550     1.615067320     1.719302090 

#END
data_-167.002_g26a_fchk_2_5321_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 28.3367
_cell_length_b 14.882
_cell_length_c 5.4807
_cell_angle_alpha 36.9341
_cell_angle_beta 93.2633
_cell_angle_gamma 70.9202
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.210930210     0.784714180     0.726644920 
C2 C     0.256952660     0.612604970     0.954268040 
C3 C     0.295757160     0.642412400     0.747947470 
C4 C     0.341947430     0.471049710     0.973272540 
C5 C     0.380723130     0.500839920     0.766892090 
C6 C     0.426839500     0.329363690     0.992406140 
C7 C     0.465626940     0.358857200     0.786236400 
C8 C     0.511599940     0.187285970     1.011749580 
C9 C     0.550376320     0.216425280     0.805619060 
C10 C     0.596118240     0.044803800     1.030776180 
C11 C     0.634826520     0.073671270     0.824241520 
C12 C     0.680238220    -0.097885660     1.048401860 
C13 C     0.718868510    -0.069000100     0.841502370 
C14 C     0.763835450    -0.242204700     1.070298450 
C15 C     0.851454270    -0.249021650     1.054384640 
C16 C     0.932689040    -0.229018620     0.907861640 
C17 C     0.949702950    -0.163129190     0.584017870 
C18 C     1.001319080    -0.178520350     0.652740740 
C19 C     1.037633230    -0.260527210     1.049101820 
C20 C     1.020965680    -0.326033970     1.371961380 
C21 C     0.968942090    -0.310737810     1.303299780 
C22 C     1.124230400    -0.343645690     1.470218960 
N1 N     0.801029970    -0.218302040     0.878402140 
N2 N     0.879579130    -0.208458780     0.812014540 
O1 O     0.869300270    -0.308500000     1.395667930 
O2 O     1.087677850    -0.269561170     1.086527090 
H1 H     0.183807790     0.759715240     0.879843150 
H2 H     0.233309670     0.816766930     0.791295370 
H3 H     0.180092750     0.912084020     0.329721650 
H4 H     0.233487880     0.580649040     0.895086610 
H5 H     0.286374510     0.486238960     1.352608410 
H6 H     0.266354180     0.768869180     0.349215570 
H7 H     0.319261850     0.674418470     0.806991610 
H8 H     0.318406350     0.439091580     0.914306630 
H9 H     0.371329270     0.344685550     1.371912070 
H10 H     0.351353710     0.627226160     0.368230290 
H11 H     0.404312560     0.532652380     0.826100900 
H12 H     0.403224970     0.297516380     0.933470400 
H13 H     0.456215100     0.203013270     1.391033590 
H14 H     0.436259320     0.485292710     0.387538480 
H15 H     0.489332180     0.390414270     0.845706070 
H16 H     0.487856820     0.155653700     0.952779750 
H17 H     0.540991740     0.060910320     1.410369900 
H18 H     0.520988170     0.342985010     0.406857950 
H19 H     0.574271510     0.247549860     0.865551040 
H20 H     0.572175920     0.013531260     0.971649430 
H21 H     0.625568070    -0.081661270     1.429374870 
H22 H     0.605394680     0.200457950     0.425396300 
H23 H     0.659045120     0.103982060     0.885170560 
H24 H     0.655963680    -0.128450610     0.988502790 
H25 H     0.709753980    -0.224495110     1.446951720 
H26 H     0.689796260     0.057349650     0.442781530 
H27 H     0.744225170    -0.042469250     0.908988500 
H28 H     0.740141970    -0.273627940     1.011155040 
H29 H     0.794201880    -0.367088870     1.465191730 
H30 H     0.787034840    -0.167374650     0.593362920 
H31 H     0.860754950    -0.159922870     0.534906370 
H32 H     0.922050540    -0.098924380     0.273824280 
H33 H     1.014467900    -0.127797390     0.403003680 
H34 H     1.048008260    -0.390142770     1.682238750 
H35 H     0.956229100    -0.361524680     1.553914620 
H36 H     1.161186380    -0.339083930     1.435799880 
H37 H     1.099228700    -0.256930670     1.435882860 
H38 H     1.142520920    -0.491446430     1.830987270 

#END
data_-166.948_g26a_fchk_14_13951_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 10.5184
_cell_length_b 44.5731
_cell_length_c 9.0751
_cell_angle_alpha 90.0
_cell_angle_beta 30.9672
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.819319170     0.896156540     0.784576540 
C2 C     0.666228990     0.874375870     1.029647300 
C3 C     0.500378420     0.853936680     1.101794000 
C4 C     0.346441480     0.832060300     1.346701590 
C5 C     0.180508970     0.811636340     1.419001290 
C6 C     0.026563070     0.789799780     1.664162270 
C7 C    -0.139782780     0.769373550     1.737159460 
C8 C    -0.293855630     0.747612810     1.982801540 
C9 C    -0.460896810     0.727197030     2.056884380 
C10 C    -0.615317620     0.705557350     2.303348270 
C11 C    -0.783301150     0.685180890     2.378792380 
C12 C    -0.938427280     0.663712710     2.626510750 
C13 C    -1.106702240     0.643376800     2.702377020 
C14 C    -1.260362880     0.622158830     2.951004480 
C15 C    -1.332059280     0.577683170     2.867365830 
C16 C    -1.478126610     0.536021790     2.847783780 
C17 C    -1.669181500     0.528049590     2.940781950 
C18 C    -1.655085130     0.502245150     2.842477570 
C19 C    -1.448404100     0.483554050     2.647067030 
C20 C    -1.257655910     0.491353920     2.553330870 
C21 C    -1.271725430     0.517361820     2.652486750 
C22 C    -1.246868290     0.438792250     2.367710930 
N1 N    -1.423165660     0.602626160     3.028710070 
N2 N    -1.507754970     0.562614860     2.959374010 
O1 O    -1.116917860     0.569795540     2.665306200 
O2 O    -1.451434530     0.458580900     2.562618780 
H1 H     0.935618720     0.910492240     0.737864460 
H2 H     0.940349610     0.884048770     0.588166120 
H3 H     0.700067180     0.910751260     0.837173940 
H4 H     0.551477940     0.887043070     1.221431400 
H5 H     0.789728660     0.860502870     0.974215270 
H6 H     0.376663250     0.867798910     1.157324950 
H7 H     0.615075310     0.841248160     0.909944880 
H8 H     0.231942300     0.844767040     1.538364760 
H9 H     0.470267640     0.818207890     1.291002790 
H10 H     0.056700170     0.825482020     1.474638210 
H11 H     0.294924610     0.798906240     1.227481240 
H12 H    -0.087636740     0.802543220     1.855539070 
H13 H     0.150408910     0.775950440     1.608440790 
H14 H    -0.263525990     0.783217650     1.792676980 
H15 H    -0.025696090     0.756586470     1.546022940 
H16 H    -0.407575180     0.760420260     2.173701450 
H17 H    -0.170077910     0.733755370     1.927146140 
H18 H    -0.584433770     0.741050200     2.112103650 
H19 H    -0.347343280     0.714316650     1.866383800 
H20 H    -0.728342770     0.718463680     2.493534330 
H21 H    -0.491778120     0.691670960     2.247922750 
H22 H    -0.906426490     0.699053790     2.433441790 
H23 H    -0.670605110     0.672142570     2.189398970 
H24 H    -1.050585390     0.676782840     2.815700230 
H25 H    -0.815272380     0.649794000     2.571505980 
H26 H    -1.230797440     0.657068480     2.757813330 
H27 H    -0.995858290     0.629792890     2.516581360 
H28 H    -1.373845930     0.634937790     3.141365740 
H29 H    -1.137727050     0.607777150     2.893312020 
H30 H    -1.600765470     0.608759730     3.192303760 
H31 H    -1.679879090     0.571215350     3.128709020 
H32 H    -1.831198740     0.542295010     3.092475380 
H33 H    -1.802625780     0.496083820     2.914432800 
H34 H    -1.095086020     0.477411270     2.402165620 
H35 H    -1.123620220     0.523303860     2.579191690 
H36 H    -1.286291760     0.420629440     2.330198660 
H37 H    -1.074787360     0.449924130     2.164007400 
H38 H    -1.225143900     0.429560850     2.457322850 

#END
data_-166.826_g26a_fchk_2_280_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.4049
_cell_length_b 10.7768
_cell_length_c 25.9411
_cell_angle_alpha 98.1192
_cell_angle_beta 98.8377
_cell_angle_gamma 64.642
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.709844520     0.212434580     0.729836110 
C2 C     0.907932900     0.070140070     0.702885940 
C3 C     0.791073080     0.056932440     0.644478660 
C4 C     0.987653950    -0.085042100     0.617149930 
C5 C     0.870763860    -0.098310500     0.558767440 
C6 C     1.067479400    -0.240415960     0.531532520 
C7 C     0.950821620    -0.254029090     0.473157910 
C8 C     1.147550660    -0.396342130     0.446072300 
C9 C     1.031051430    -0.410456480     0.387714650 
C10 C     1.227570210    -0.553085180     0.360838190 
C11 C     1.110948330    -0.567771760     0.302517660 
C12 C     1.306849440    -0.710832990     0.275896810 
C13 C     1.190010650    -0.725664810     0.217625370 
C14 C     1.388991200    -0.869627830     0.191879250 
C15 C     1.342372890    -0.819605630     0.100596450 
C16 C     1.228667400    -0.789589620     0.004238190 
C17 C     1.143765530    -0.850661040    -0.043913990 
C18 C     1.160437800    -0.807517770    -0.090749650 
C19 C     1.262753550    -0.701402550    -0.090848890 
C20 C     1.346974880    -0.640073580    -0.043158330 
C21 C     1.330531550    -0.683564140     0.004109380 
C22 C     1.350323670    -0.552395410    -0.140883430 
N1 N     1.281981970    -0.886872920     0.136432980 
N2 N     1.205883310    -0.840073810     0.050080450 
O1 O     1.504719100    -0.750316280     0.112896430 
O2 O     1.271501490    -0.666056640    -0.139010670 
H1 H     0.798017250     0.218944480     0.771466730 
H2 H     0.735825480     0.293151170     0.712046060 
H3 H     0.440337560     0.236053460     0.726553460 
H4 H     0.884691900    -0.008976970     0.722277880 
H5 H     1.177580560     0.047787920     0.707755350 
H6 H     0.521181310     0.079281870     0.639555060 
H7 H     0.814226710     0.136091240     0.625033050 
H8 H     0.964517830    -0.164121230     0.636639820 
H9 H     1.257456000    -0.107302210     0.622086900 
H10 H     0.600943120    -0.076020620     0.553815520 
H11 H     0.894096310    -0.019328860     0.539249340 
H12 H     1.044304070    -0.319360590     0.551100630 
H13 H     1.337268500    -0.262663740     0.536474820 
H14 H     0.680962310    -0.231680540     0.468200680 
H15 H     0.974414200    -0.175263290     0.453543810 
H16 H     1.124251500    -0.475052650     0.465769640 
H17 H     1.417348470    -0.418620860     0.450997310 
H18 H     0.761105830    -0.387962160     0.382772520 
H19 H     1.055094630    -0.332051740     0.367946170 
H20 H     1.204012500    -0.631432670     0.380726530 
H21 H     1.497400900    -0.575472080     0.365701620 
H22 H     0.840861020    -0.545002700     0.297612210 
H23 H     1.135902580    -0.490016730     0.282505030 
H24 H     1.282542380    -0.788606140     0.296058630 
H25 H     1.576721220    -0.733413230     0.280688400 
H26 H     0.920220760    -0.703303020     0.212360090 
H27 H     1.220177860    -0.650404580     0.197024310 
H28 H     1.365524220    -0.948076200     0.211508750 
H29 H     1.656348170    -0.890638240     0.195459560 
H30 H     1.144424020    -0.942143250     0.125256180 
H31 H     1.076242440    -0.899289920     0.044533050 
H32 H     1.063574640    -0.933220290    -0.044631490 
H33 H     1.095156070    -0.854729110    -0.127907120 
H34 H     1.426989020    -0.557684420    -0.041808500 
H35 H     1.395753950    -0.635735230     0.040892210 
H36 H     1.345344020    -0.542357340    -0.182216110 
H37 H     1.163595280    -0.456959530    -0.123256030 
H38 H     1.602181250    -0.570168950    -0.121104840 

#END
data_-166.177_g26a_fchk_14_7067_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 5.2149
_cell_length_b 8.6397
_cell_length_c 54.149
_cell_angle_alpha 90.0
_cell_angle_beta 115.3864
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.966760320     0.885953350     0.341304130 
C2 C     1.033129840     0.983810600     0.321218850 
C3 C     1.074872010     0.886912790     0.299556250 
C4 C     1.141371530     0.983717570     0.279360600 
C5 C     1.183284260     0.886882920     0.257711860 
C6 C     1.250042200     0.983924280     0.237555580 
C7 C     1.292415430     0.887366030     0.215904210 
C8 C     1.359746960     0.984736420     0.195820070 
C9 C     1.402943310     0.888545410     0.174175930 
C10 C     1.471311420     0.986338360     0.154204050 
C11 C     1.515718880     0.890519130     0.132590870 
C12 C     1.585734740     0.988772750     0.112773890 
C13 C     1.630654120     0.893057160     0.091195950 
C14 C     1.701000390     0.993747880     0.071655350 
C15 C     1.520237570     0.858973060     0.027370800 
C16 C     1.421935020     0.705022320    -0.015094520 
C17 C     1.542381070     0.595536990    -0.026132440 
C18 C     1.384323410     0.528555930    -0.051351300 
C19 C     1.099582140     0.569141110    -0.066358120 
C20 C     0.978311200     0.677652050    -0.055503540 
C21 C     1.137552520     0.745392540    -0.030079510 
C22 C     0.668912850     0.530102250    -0.106413000 
N1 N     1.746155520     0.905569900     0.050968760 
N2 N     1.598165370     0.767959480     0.010662640 
O1 O     1.276403990     0.897036330     0.021936240 
O2 O     0.961116250     0.496910280    -0.091037530 
H1 H     0.938415360     0.957942780     0.356552720 
H2 H     0.772066060     0.818851400     0.330642870 
H3 H     1.138368520     0.804012300     0.352208160 
H4 H     1.224763390     1.052701930     0.332479500 
H5 H     0.861177990     1.067116760     0.311034720 
H6 H     1.246955550     0.803479110     0.309726570 
H7 H     0.883160520     0.817904040     0.288274020 
H8 H     1.332980150     1.052740420     0.290661670 
H9 H     0.969213340     1.067093200     0.269199570 
H10 H     1.355382470     0.803464760     0.267866360 
H11 H     0.991658660     0.817928380     0.246389590 
H12 H     1.441537820     1.052959400     0.248893360 
H13 H     1.077878830     1.067296420     0.227397500 
H14 H     1.464429190     0.803895790     0.226057250 
H15 H     1.100849740     0.818477200     0.204527540 
H16 H     1.551082090     1.053770700     0.207221120 
H17 H     1.187610800     1.068106600     0.185653900 
H18 H     1.574777230     0.804985600     0.184338160 
H19 H     1.211473500     0.819778370     0.162710450 
H20 H     1.662439290     1.055343260     0.165701950 
H21 H     1.299266770     1.069700740     0.144008920 
H22 H     1.687207780     0.806806310     0.142773270 
H23 H     1.324384880     0.822039460     0.120976610 
H24 H     1.776773910     1.057613380     0.124427670 
H25 H     1.413919200     1.072167900     0.102545770 
H26 H     1.802174970     0.809185490     0.101201140 
H27 H     1.438909730     0.826546320     0.079092830 
H28 H     1.891895400     1.062491800     0.083029000 
H29 H     1.526704930     1.073980700     0.060957340 
H30 H     1.944578270     0.871116500     0.055037670 
H31 H     1.806111550     0.743789170     0.017259580 
H32 H     1.763264030     0.562483260    -0.014771580 
H33 H     1.477363510     0.444152680    -0.059876210 
H34 H     0.758600830     0.711640710    -0.066560830 
H35 H     1.042706050     0.829198080    -0.021767040 
H36 H     0.601262250     0.462229210    -0.125091440 
H37 H     0.543720460     0.496192410    -0.095399410 
H38 H     0.633751000     0.653246190    -0.111659000 

#END
data_-165.913_g26a_fchk_2_664_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 25.57
_cell_length_b 12.4288
_cell_length_c 4.7123
_cell_angle_alpha 62.7703
_cell_angle_beta 68.6176
_cell_angle_gamma 103.695
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.605971910     0.429674870     0.063636370 
C2 C     0.623659060     0.332422580     0.305730440 
C3 C     0.694921030     0.400952540     0.162374390 
C4 C     0.713115280     0.304528170     0.402621790 
C5 C     0.784358950     0.372975500     0.259260200 
C6 C     0.802453690     0.276312380     0.499724680 
C7 C     0.873689610     0.344441980     0.356712890 
C8 C     0.891645100     0.247408770     0.597308000 
C9 C     0.962881280     0.315077590     0.454615380 
C10 C     0.980665180     0.217514940     0.695155710 
C11 C     1.051912630     0.284648880     0.552509740 
C12 C     1.069524320     0.186415380     0.792611020 
C13 C     1.140752110     0.253371430     0.649793440 
C14 C     1.157241180     0.153103370     0.893776540 
C15 C     1.244035880     0.159496320     1.008630930 
C16 C     1.344635280     0.205524760     1.013995390 
C17 C     1.409920650     0.303057300     0.799767790 
C18 C     1.448114320     0.282263780     0.942684960 
C19 C     1.422036640     0.162776950     1.306055370 
C20 C     1.357182560     0.065510830     1.520840910 
C21 C     1.318617480     0.086301000     1.376914110 
C22 C     1.440850010     0.025680960     1.771659600 
N1 N     1.224821850     0.213923840     0.763229340 
N2 N     1.309259070     0.234558330     0.846444470 
O1 O     1.206499250     0.054091870     1.335637580 
O2 O     1.463530920     0.151429360     1.422257780 
H1 H     0.554902110     0.378103940     0.171859720 
H2 H     0.616290010     0.520753180     0.061551070 
H3 H     0.633487500     0.466529890    -0.232372530 
H4 H     0.611350430     0.240552170     0.310896790 
H5 H     0.594438020     0.294626750     0.602132080 
H6 H     0.724220530     0.438826400    -0.134308000 
H7 H     0.707289730     0.492931450     0.157082300 
H8 H     0.700694810     0.212560560     0.407926690 
H9 H     0.683804980     0.266718320     0.699187840 
H10 H     0.813684270     0.410830960    -0.037340040 
H11 H     0.796795630     0.464886130     0.254182240 
H12 H     0.789948860     0.184362600     0.504979030 
H13 H     0.773138400     0.238506930     0.796275410 
H14 H     0.903020160     0.382356530     0.060052640 
H15 H     0.886212890     0.436277320     0.351938030 
H16 H     0.879005760     0.155501370     0.602412330 
H17 H     0.862348540     0.209598330     0.893870290 
H18 H     0.992195280     0.353102400     0.157827020 
H19 H     0.975541640     0.406778330     0.450366470 
H20 H     0.967833170     0.125688290     0.699952740 
H21 H     0.951435000     0.179688410     0.991760610 
H22 H     1.081185080     0.322870080     0.255505360 
H23 H     1.064775970     0.376059880     0.549327140 
H24 H     1.056449050     0.094768720     0.796547250 
H25 H     1.040375650     0.148512100     1.089287710 
H26 H     1.170387690     0.291687510     0.353086240 
H27 H     1.153877080     0.343145860     0.652670600 
H28 H     1.144669650     0.061516160     0.898600750 
H29 H     1.129459210     0.118214180     1.186855640 
H30 H     1.256722020     0.301739160     0.496383500 
H31 H     1.335625170     0.320109480     0.573720560 
H32 H     1.431041410     0.396559710     0.516911740 
H33 H     1.498507540     0.357491090     0.777210900 
H34 H     1.335451300    -0.028030920     1.803038160 
H35 H     1.268471540     0.010788780     1.544280010 
H36 H     1.480866550     0.037954310     1.809372900 
H37 H     1.399969650     0.006206430     2.012254690 
H38 H     1.426746850    -0.062754320     1.763370890 

#END
data_-165.128_g26a_fchk_2_8586_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 5.2029
_cell_length_b 7.0111
_cell_length_c 61.9473
_cell_angle_alpha 106.2705
_cell_angle_beta 54.0064
_cell_angle_gamma 140.0114
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.130989740     0.099580380     0.027041560 
C2 C     0.360187980     0.145942460     0.038724850 
C3 C     0.187007420     0.189619270     0.067712530 
C4 C     0.414162510     0.236186080     0.079588750 
C5 C     0.241359330     0.280047260     0.108559380 
C6 C     0.469390790     0.326887020     0.120380640 
C7 C     0.297718370     0.371207270     0.149334820 
C8 C     0.527293400     0.418668250     0.161064790 
C9 C     0.357429800     0.463832740     0.189988560 
C10 C     0.589431730     0.512426910     0.201584990 
C11 C     0.421956970     0.558867880     0.230458440 
C12 C     0.657369100     0.609275480     0.241882400 
C13 C     0.490851590     0.656276770     0.270717830 
C14 C     0.731886090     0.706903450     0.281680300 
C15 C     0.358096660     0.559070360     0.331595480 
C16 C    -0.016302530     0.474834210     0.383091900 
C17 C    -0.207670470     0.545011080     0.406257470 
C18 C    -0.433753380     0.410646960     0.433081470 
C19 C    -0.475874410     0.200818990     0.437576580 
C20 C    -0.287352300     0.129554590     0.414670180 
C21 C    -0.058869810     0.265104200     0.387599980 
C22 C    -0.773410360    -0.143096490     0.470457120 
N1 N     0.581783660     0.753758600     0.309047150 
N2 N     0.209727410     0.622873050     0.356487270 
O1 O     0.304513650     0.353554880     0.329334610 
O2 O    -0.704512150     0.080517450     0.464781730 
H1 H     0.261390790     0.069471350     0.006334510 
H2 H    -0.279159190    -0.108264090     0.041161030 
H3 H     0.230672390     0.301716810     0.024745770 
H4 H     0.770899300     0.350639610     0.023861130 
H5 H     0.264173280    -0.056285010     0.040218140 
H6 H     0.282928970     0.391996150     0.066243970 
H7 H    -0.224075880    -0.015160440     0.082605880 
H8 H     0.825175370     0.440865070     0.064675410 
H9 H     0.318052060     0.033742070     0.081052580 
H10 H     0.337295330     0.482428000     0.107104780 
H11 H    -0.169593960     0.075327950     0.123487210 
H12 H     0.880354950     0.531465830     0.105430340 
H13 H     0.373273220     0.124439720     0.121841920 
H14 H     0.393440170     0.573502780     0.147885210 
H15 H    -0.113149330     0.166509850     0.164309690 
H16 H     0.938178330     0.623114130     0.146052820 
H17 H     0.431191030     0.216245410     0.162534180 
H18 H     0.452762240     0.665951760     0.188536070 
H19 H    -0.053273420     0.259167160     0.205039030 
H20 H     1.000194060     0.716714290     0.186481250 
H21 H     0.493374470     0.310085400     0.203083410 
H22 H     0.516583380     0.760647510     0.228996450 
H23 H     0.011652630     0.354218290     0.245628510 
H24 H     1.068042420     0.813586390     0.226642550 
H25 H     0.561608750     0.407155780     0.243411500 
H26 H     0.584837490     0.857999530     0.269438420 
H27 H     0.082635100     0.450626440     0.286189800 
H28 H     1.141576120     0.910895090     0.266714800 
H29 H     0.625839830     0.502220250     0.283897900 
H30 H     0.616346890     0.919097340     0.311600660 
H31 H     0.272739480     0.798248340     0.355856590 
H32 H    -0.178612760     0.707404580     0.403185150 
H33 H    -0.581076650     0.465010950     0.450953220 
H34 H    -0.313869270    -0.031888310     0.417398550 
H35 H     0.086082280     0.209063840     0.369955420 
H36 H    -0.957042330    -0.206482080     0.492966210 
H37 H    -1.013189490    -0.353856840     0.465549390 
H38 H    -0.413811960    -0.044112020     0.458561420 

#END
data_-164.751_g26a_fchk_15_8249_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 46.3593
_cell_length_b 5.4932
_cell_length_c 17.9665
_cell_angle_alpha 90.0
_cell_angle_beta 75.9218
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.404560690     1.032803120     0.443489810 
C2 C     0.426885960     1.187309740     0.385933600 
C3 C     0.446273100     1.347545900     0.423806910 
C4 C     0.468684220     1.502850980     0.366719560 
C5 C     0.488056850     1.663170270     0.404564800 
C6 C     0.510430640     1.818492610     0.347373340 
C7 C     0.529807890     1.979229610     0.385074030 
C8 C     0.552109620     2.134689010     0.327741500 
C9 C     0.571479710     2.296125260     0.365251110 
C10 C     0.593665560     2.451943230     0.307740600 
C11 C     0.613000090     2.614322780     0.345060360 
C12 C     0.635020650     2.770853500     0.287360750 
C13 C     0.654316070     2.933524420     0.324635810 
C14 C     0.676109780     3.088695130     0.265848720 
C15 C     0.718708280     3.154012720     0.322757900 
C16 C     0.758431710     3.292310990     0.386546380 
C17 C     0.765844570     3.480101620     0.431463060 
C18 C     0.790639030     3.463482270     0.461205850 
C19 C     0.808845790     3.257473020     0.446912910 
C20 C     0.801595110     3.069969140     0.402438780 
C21 C     0.776606760     3.086582320     0.372352840 
C22 C     0.849420400     3.039545050     0.474929110 
N1 N     0.694674430     3.246232440     0.299788630 
N2 N     0.732866860     3.324342960     0.358274280 
O1 O     0.726617940     2.942370900     0.311537020 
O2 O     0.832821810     3.257848760     0.478662630 
H1 H     0.390996300     0.920583100     0.414955150 
H2 H     0.415931210     0.910955860     0.475242990 
H3 H     0.389499060     1.147644360     0.485442610 
H4 H     0.414977380     1.303023480     0.353602250 
H5 H     0.441246190     1.068325630     0.343616190 
H6 H     0.431922470     1.466738200     0.466179040 
H7 H     0.458201770     1.231881420     0.456188250 
H8 H     0.456737660     1.618320840     0.334340870 
H9 H     0.483024670     1.383547100     0.324381070 
H10 H     0.473722690     1.782455500     0.446922440 
H11 H     0.500027040     1.547785220     0.436901370 
H12 H     0.498447940     1.933667500     0.315005810 
H13 H     0.524768030     1.699169190     0.305037880 
H14 H     0.515474840     2.098448260     0.427458060 
H15 H     0.541834890     1.864171430     0.417354640 
H16 H     0.540063680     2.249389990     0.295403430 
H17 H     0.566454980     2.015432750     0.285403180 
H18 H     0.557136940     2.415137200     0.407685970 
H19 H     0.583599840     2.181597420     0.397433260 
H20 H     0.581521700     2.565958010     0.275460810 
H21 H     0.608039460     2.332921760     0.265392510 
H22 H     0.598636510     2.732923100     0.387584530 
H23 H     0.625278570     2.500651110     0.377036990 
H24 H     0.622713700     2.884007040     0.255228180 
H25 H     0.649426780     2.652212710     0.244979010 
H26 H     0.640130130     3.053076020     0.367163560 
H27 H     0.667149480     2.821749070     0.355448080 
H28 H     0.664089490     3.203152390     0.233649180 
H29 H     0.690946510     2.970454230     0.224865720 
H30 H     0.688489050     3.420839000     0.310496730 
H31 H     0.724342780     3.493931190     0.364494580 
H32 H     0.751961930     3.641550160     0.443217480 
H33 H     0.796369550     3.608500690     0.495819470 
H34 H     0.815186260     2.908007700     0.390291790 
H35 H     0.771085550     2.940984890     0.338024750 
H36 H     0.867295990     3.078923650     0.502767640 
H37 H     0.835774550     2.890538410     0.505411380 
H38 H     0.858991140     2.984255020     0.415416470 

#END
data_-164.596_g26a_fchk_2_15451_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 6.945
_cell_length_b 4.5575
_cell_length_c 58.9092
_cell_angle_alpha 84.3515
_cell_angle_beta 53.4194
_cell_angle_gamma 53.042
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.009304370     0.292509230     0.026942670 
C2 C    -0.012744210     0.106777020     0.050521460 
C3 C     0.021589550     0.241496180     0.069694600 
C4 C    -0.000124020     0.057375510     0.093353820 
C5 C     0.034386940     0.191793440     0.112512290 
C6 C     0.012922870     0.006976080     0.136134540 
C7 C     0.047773150     0.140487020     0.155299190 
C8 C     0.026913110    -0.045558850     0.178849030 
C9 C     0.062452910     0.086501320     0.198007950 
C10 C     0.042717560    -0.101478150     0.221440440 
C11 C     0.079392480     0.028666720     0.240563990 
C12 C     0.061482470    -0.162032860     0.263827850 
C13 C     0.098711880    -0.032653220     0.282911310 
C14 C     0.080713260    -0.227800570     0.305959260 
C15 C    -0.142876320     0.248184370     0.349786650 
C16 C    -0.270598370     0.657552140     0.390224400 
C17 C    -0.125756810     0.687771620     0.397996270 
C18 C    -0.312613400     1.004217790     0.423889830 
C19 C    -0.651594590     1.301642170     0.442873310 
C20 C    -0.797196660     1.273997430     0.435271300 
C21 C    -0.609044970     0.954810660     0.409175010 
C22 C    -1.158612350     1.914607040     0.487363370 
N1 N     0.116957740    -0.111386290     0.324346000 
N2 N    -0.062537210     0.324874160     0.363527700 
O1 O    -0.416866810     0.471590660     0.359165770 
O2 O    -0.815182970     1.601838130     0.467914520 
H1 H    -0.015463030     0.190900360     0.013557430 
H2 H    -0.183143670     0.620539370     0.038387950 
H3 H     0.243969430     0.211961070     0.010648140 
H4 H     0.177214290    -0.221586770     0.038539910 
H5 H    -0.246685020     0.184494460     0.066105320 
H6 H     0.255687280     0.163849370     0.054119530 
H7 H    -0.168446590     0.570154660     0.081696040 
H8 H     0.189845550    -0.271223220     0.081334220 
H9 H    -0.234250410     0.135174840     0.108918100 
H10 H     0.268456080     0.114133080     0.096954250 
H11 H    -0.155678690     0.520342540     0.124556700 
H12 H     0.202857730    -0.321577980     0.124078010 
H13 H    -0.221200420     0.084781500     0.151695660 
H14 H     0.281776170     0.062998200     0.139742000 
H15 H    -0.142386510     0.468960770     0.167402400 
H16 H     0.216832460    -0.374040150     0.166727690 
H17 H    -0.207200550     0.032233150     0.194418290 
H18 H     0.296334300     0.009326080     0.182440360 
H19 H    -0.127868580     0.414832420     0.210207670 
H20 H     0.232664330    -0.429847600     0.209218490 
H21 H    -0.191367160    -0.023726770     0.237038870 
H22 H     0.313038220    -0.047939230     0.224974330 
H23 H    -0.111261540     0.356661030     0.252928420 
H24 H     0.251772220    -0.490312010     0.251437150 
H25 H    -0.172461110    -0.084524970     0.279459360 
H26 H     0.332048740    -0.108770450     0.267503060 
H27 H    -0.094348710     0.293628170     0.295861030 
H28 H     0.270250420    -0.555327620     0.293862740 
H29 H    -0.155448880    -0.142124430     0.322013550 
H30 H     0.340799280    -0.287570300     0.316960230 
H31 H     0.171946500     0.118732020     0.353744610 
H32 H     0.137274230     0.459673420     0.383522170 
H33 H    -0.200826270     1.027335240     0.429897650 
H34 H    -1.058742710     1.498939240     0.449441080 
H35 H    -0.722832980     0.934937160     0.403386000 
H36 H    -1.239379520     2.117924790     0.505653340 
H37 H    -1.225582030     2.078321700     0.474831510 
H38 H    -1.278943090     1.799500270     0.497615050 

#END
data_-164.557_g26a_fchk_14_7707_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.3793
_cell_length_b 37.9333
_cell_length_c 18.058
_cell_angle_alpha 90.0
_cell_angle_beta 46.2566
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.531928160     0.978824630     0.896216770 
C2 C     0.702678580     0.988554760     0.791009410 
C3 C     0.817907070     0.956364260     0.724726750 
C4 C     0.989053830     0.965812570     0.619312030 
C5 C     1.104520790     0.933639350     0.553005180 
C6 C     1.275993520     0.943153040     0.447587220 
C7 C     1.392226000     0.911029200     0.381066030 
C8 C     1.564443120     0.920638550     0.275627650 
C9 C     1.681997420     0.888581810     0.208785220 
C10 C     1.855591150     0.898318320     0.103282960 
C11 C     1.975016420     0.866334420     0.036064420 
C12 C     2.150840530     0.876216340    -0.069576760 
C13 C     2.270989910     0.844262780    -0.136872830 
C14 C     2.446838150     0.854796180    -0.242179340 
C15 C     2.570745160     0.827676360    -0.384842250 
C16 C     2.706038760     0.790213690    -0.519740110 
C17 C     2.769358460     0.755306880    -0.553520460 
C18 C     2.814738320     0.747083210    -0.635344130 
C19 C     2.797742940     0.773644340    -0.686056340 
C20 C     2.734227690     0.808381700    -0.652823000 
C21 C     2.688748400     0.816716600    -0.570356430 
C22 C     2.887036710     0.789352940    -0.827919380 
N1 N     2.565717650     0.824889950    -0.308057320 
N2 N     2.664422230     0.796294990    -0.436110460 
O1 O     2.502992230     0.855505170    -0.405314740 
O2 O     2.846159770     0.762947540    -0.765977580 
H1 H     0.452865210     1.002272650     0.941830680 
H2 H     0.246011630     0.962730070     0.939650790 
H3 H     0.764659840     0.963633890     0.888683950 
H4 H     0.982295950     1.005384090     0.750214850 
H5 H     0.467569640     1.004400310     0.800733770 
H6 H     1.053248670     0.940482260     0.714936840 
H7 H     0.538213160     0.939500580     0.765499380 
H8 H     1.268534660     0.982690490     0.578632380 
H9 H     0.753562310     0.981688150     0.629167810 
H10 H     1.339930800     0.917752550     0.543156310 
H11 H     0.825078730     0.916765820     0.593609520 
H12 H     1.555195950     0.960053810     0.407061950 
H13 H     1.040485320     0.959029420     0.457454910 
H14 H     1.627500800     0.895132080     0.371250460 
H15 H     1.113035370     0.894141620     0.421462390 
H16 H     1.843217500     0.937573440     0.235361030 
H17 H     1.329000030     0.936510000     0.285460370 
H18 H     1.916952810     0.872673380     0.199076350 
H19 H     1.403215810     0.871674450     0.248839980 
H20 H     2.133768110     0.915298730     0.063404480 
H21 H     1.620371660     0.914172100     0.112992710 
H22 H     2.209353990     0.850409570     0.026565040 
H23 H     1.696889710     0.849412170     0.075539970 
H24 H     2.428430780     0.893240610    -0.108891510 
H25 H     1.916077800     0.892056590    -0.060056800 
H26 H     2.505848430     0.828215530    -0.146926500 
H27 H     1.993769770     0.827525820    -0.099199950 
H28 H     2.724960400     0.871663440    -0.282333000 
H29 H     2.209104840     0.869772990    -0.232762380 
H30 H     2.618565970     0.801525550    -0.292221070 
H31 H     2.714359750     0.774940080    -0.412486920 
H32 H     2.783307980     0.734307710    -0.515061850 
H33 H     2.863923380     0.720147000    -0.661454040 
H34 H     2.719256340     0.829571580    -0.690281650 
H35 H     2.639435740     0.843624410    -0.544911210 
H36 H     2.923515100     0.775410160    -0.886345990 
H37 H     2.605466170     0.806142950    -0.783384810 
H38 H     3.165709500     0.805901460    -0.865027710 

#END
data_-164.331_g26a_fchk_1_2516_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
_cell_length_a 4.5342
_cell_length_b 26.4616
_cell_length_c 9.8987
_cell_angle_alpha 113.6789
_cell_angle_beta 33.5696
_cell_angle_gamma 97.3467
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.380267950     0.450054190     0.514994490 
C2 C     0.111565520     0.404357000     0.545717800 
C3 C     0.121864780     0.367635160     0.628913860 
C4 C    -0.145957230     0.321785610     0.660199480 
C5 C    -0.135416830     0.285041420     0.743195680 
C6 C    -0.402935630     0.239179250     0.774073640 
C7 C    -0.392298830     0.202316740     0.856702200 
C8 C    -0.658961010     0.156411110     0.886773300 
C9 C    -0.647827670     0.119357030     0.968706630 
C10 C    -0.912825440     0.073352790     0.997427590 
C11 C    -0.900488700     0.036049410     1.078266650 
C12 C    -1.162710440    -0.010138020     1.104980100 
C13 C    -1.149566750    -0.047514880     1.185260870 
C14 C    -1.412832390    -0.093467750     1.210106810 
C15 C    -0.910345270    -0.180327170     1.075054530 
C16 C    -0.568190250    -0.264316270     1.025017030 
C17 C    -0.715094100    -0.281832720     1.187027320 
C18 C    -0.329449620    -0.332489130     1.052571950 
C19 C     0.217248760    -0.367359190     0.750550160 
C20 C     0.365921540    -0.350293750     0.588107390 
C21 C    -0.022448220    -0.299183400     0.723455710 
C22 C     1.132213040    -0.452165890     0.332661840 
N1 N    -1.403567120    -0.129886260     1.285024990 
N2 N    -0.985597820    -0.212012610     1.179204700 
O1 O    -0.452688970    -0.194573900     0.822941920 
O2 O     0.567897190    -0.416489810     0.637770130 
H1 H     0.368019710     0.475556820     0.455139880 
H2 H     0.145453260     0.482535670     0.718375630 
H3 H     0.836903700     0.427415380     0.348168700 
H4 H     0.345172600     0.373359220     0.341572140 
H5 H    -0.340996600     0.428025260     0.709260030 
H6 H     0.574676170     0.343920900     0.465355730 
H7 H    -0.111848400     0.398624710     0.833234020 
H8 H     0.087780010     0.290845430     0.455866010 
H9 H    -0.598678450     0.345531590     0.823777730 
H10 H     0.317237960     0.261301610     0.579698200 
H11 H    -0.369489300     0.315954560     0.947630970 
H12 H    -0.169015880     0.208315320     0.569651580 
H13 H    -0.855629780     0.262930570     0.937642500 
H14 H     0.060322340     0.178596000     0.693281360 
H15 H    -0.626917960     0.233139530     1.061337120 
H16 H    -0.424646460     0.125671300     0.682176020 
H17 H    -1.111693820     0.180145050     1.050359910 
H18 H    -0.195197900     0.095693180     0.805388840 
H19 H    -0.883366010     0.150032330     1.173666910 
H20 H    -0.677811050     0.042794810     0.792537450 
H21 H    -1.365702440     0.097025960     1.161082110 
H22 H    -0.447849750     0.012497680     0.915132130 
H23 H    -1.137737360     0.066481060     1.283778910 
H24 H    -0.926064530    -0.040456980     0.899452960 
H25 H    -1.615663350     0.013435730     1.268613630 
H26 H    -0.698293010    -0.071312740     1.022949330 
H27 H    -1.395229100    -0.017713290     1.393081540 
H28 H    -1.178848370    -0.124134810     1.006003780 
H29 H    -1.868074700    -0.069874390     1.378203980 
H30 H    -1.776410510    -0.119591540     1.490551710 
H31 H    -1.383538890    -0.196037440     1.391699080 
H32 H    -1.137940400    -0.255324410     1.421906780 
H33 H    -0.442705350    -0.345975190     1.177638430 
H34 H     0.785086590    -0.376256800     0.354082190 
H35 H     0.094515810    -0.286196360     0.596815410 
H36 H     1.336398290    -0.488192440     0.289322980 
H37 H     1.109000270    -0.472026920     0.222063370 
H38 H     1.396051500    -0.425786630     0.250163920 

#END
data_-164.128_g26a_fchk_1_2096_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
_cell_length_a 4.5387
_cell_length_b 5.2276
_cell_length_c 29.4339
_cell_angle_alpha 81.3942
_cell_angle_beta 125.851
_cell_angle_gamma 88.0395
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.367422140     0.502664200     0.441110630 
C2 C     0.362125020     0.745800180     0.463944280 
C3 C     0.435351440     0.680585380     0.522505330 
C4 C     0.430645650     0.922485170     0.545731020 
C5 C     0.503617270     0.857371860     0.604257010 
C6 C     0.498412380     1.099583680     0.627370450 
C7 C     0.570845960     1.035050010     0.685860740 
C8 C     0.564645770     1.277698470     0.708787540 
C9 C     0.636095330     1.213959840     0.767212610 
C10 C     0.628215750     1.457189310     0.789866060 
C11 C     0.698168520     1.394284800     0.848184750 
C12 C     0.687771540     1.638187240     0.870484640 
C13 C     0.757007600     1.575474220     0.928724910 
C14 C     0.744486220     1.822352780     0.950085500 
C15 C     1.090107000     1.859869470     1.050975530 
C16 C     1.379782810     1.840829930     1.155080490 
C17 C     1.400297890     1.703631910     1.201856750 
C18 C     1.639898610     1.754344500     1.256088820 
C19 C     1.867557130     1.944571420     1.265237740 
C20 C     1.849150660     2.081389930     1.218987730 
C21 C     1.607396380     2.030583220     1.164256770 
C22 C     2.345430300     2.160753990     1.332049230 
N1 N     0.807819850     1.768486610     1.005339980 
N2 N     1.127342690     1.777658350     1.101282010 
O1 O     1.283249270     2.002092610     1.046447740 
O2 O     2.094571950     1.980804940     1.320234180 
H1 H     0.313896770     0.554828040     0.399261180 
H2 H     0.634541810     0.376728180     0.470366750 
H3 H     0.158538300     0.386355220     0.436357290 
H4 H     0.095194240     0.871576680     0.433193730 
H5 H     0.567912730     0.861663120     0.467079920 
H6 H     0.229515250     0.564608230     0.519419550 
H7 H     0.702485870     0.554675890     0.553316180 
H8 H     0.163534010     1.048321290     0.514880250 
H9 H     0.636533480     1.038316750     0.548807800 
H10 H     0.297830990     0.741478320     0.601199180 
H11 H     0.770823080     0.731711680     0.635136650 
H12 H     0.231256900     1.225278770     0.596445670 
H13 H     0.704293660     1.215398020     0.630442090 
H14 H     0.365167130     0.919054680     0.682813410 
H15 H     0.838210350     0.909699290     0.716834430 
H16 H     0.297383650     1.403125880     0.677739340 
H17 H     0.770534150     1.393545770     0.711875420 
H18 H     0.430586750     1.097738800     0.764160440 
H19 H     0.903717240     1.089136700     0.798337360 
H20 H     0.360756600     1.582174050     0.758634220 
H21 H     0.834135840     1.573151570     0.793012050 
H22 H     0.492971010     1.277651550     0.845115220 
H23 H     0.966228370     1.270469350     0.879548100 
H24 H     0.419764970     1.762347280     0.838980310 
H25 H     0.893586600     1.754382730     0.873691440 
H26 H     0.552586080     1.459214280     0.926022860 
H27 H     1.027167530     1.456330980     0.960687180 
H28 H     0.477874900     1.947288650     0.919133280 
H29 H     0.955701570     1.934469000     0.954697470 
H30 H     0.655475980     1.649383700     1.010477680 
H31 H     0.952244140     1.660146230     1.099971140 
H32 H     1.225698860     1.555041040     1.195598030 
H33 H     1.655499200     1.648589230     1.292174560 
H34 H     2.021452770     2.229739550     1.224552470 
H35 H     1.594367010     2.136846840     1.128632070 
H36 H     2.496224310     2.161015190     1.377483860 
H37 H     2.539274290     2.100503590     1.323481260 
H38 H     2.202099610     2.358691470     1.306974590 

#END
data_-163.775_g26a_fchk_14_10291_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 10.1428
_cell_length_b 45.4768
_cell_length_c 8.9289
_cell_angle_alpha 90.0
_cell_angle_beta 147.5343
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.264884050     0.653595450     0.301853610 
C2 C     0.119512880     0.674583270     0.062182700 
C3 C    -0.050131460     0.695126580    -0.012423760 
C4 C    -0.196402190     0.716213300    -0.251966940 
C5 C    -0.366124120     0.736741390    -0.326720530 
C6 C    -0.512390230     0.757787960    -0.566503110 
C7 C    -0.682504810     0.778317150    -0.641933790 
C8 C    -0.828878170     0.799287840    -0.882173680 
C9 C    -0.999659350     0.819805320    -0.958658500 
C10 C    -1.146353860     0.840655350    -1.199683440 
C11 C    -1.318046370     0.861132800    -1.277489790 
C12 C    -1.465414330     0.881812570    -1.519718400 
C13 C    -1.637389800     0.902249820    -1.597932460 
C14 C    -1.783165510     0.922672670    -1.840974840 
C15 C    -1.860535680     0.966037530    -1.757144740 
C16 C    -2.013729550     1.006966130    -1.739807750 
C17 C    -2.211724370     1.015099380    -1.837931450 
C18 C    -2.200645070     1.039995870    -1.738531220 
C19 C    -1.990127010     1.057584720    -1.536848100 
C20 C    -1.792507580     1.049617350    -1.438020320 
C21 C    -1.803514310     1.024524880    -1.538262160 
C22 C    -1.779409570     1.098716400    -1.230421140 
N1 N    -1.949286700     0.942286220    -1.920750880 
N2 N    -2.040632020     0.981345800    -1.852882530 
O1 O    -1.643474570     0.972779880    -1.550031270 
O2 O    -1.996572240     1.081717460    -1.451790880 
H1 H     0.384085000     0.639168760     0.350462270 
H2 H     0.380886140     0.665751550     0.491678620 
H3 H     0.141710940     0.639662370     0.249715510 
H4 H     0.009825070     0.661868300    -0.123022680 
H5 H     0.246961100     0.687800550     0.117189660 
H6 H    -0.177800470     0.681920500    -0.067531460 
H7 H     0.059496060     0.707863040     0.172840800 
H8 H    -0.305833430     0.703458840    -0.437047510 
H9 H    -0.068626930     0.729409970    -0.196695330 
H10 H    -0.493884630     0.723551510    -0.381933060 
H11 H    -0.256771130     0.749518500    -0.141780570 
H12 H    -0.621524950     0.744997330    -0.751299780 
H13 H    -0.384595750     0.770981630    -0.511209110 
H14 H    -0.810203480     0.765129040    -0.697030700 
H15 H    -0.573472650     0.791150000    -0.457372860 
H16 H    -0.937538510     0.786434260    -1.066497840 
H17 H    -0.701151110     0.812489480    -0.826945140 
H18 H    -1.127159310     0.806608640    -1.013464540 
H19 H    -0.891146270     0.832729350    -0.774725620 
H20 H    -1.254330090     0.827704630    -1.383300640 
H21 H    -1.018862640     0.853885510    -1.144682690 
H22 H    -1.445148290     0.847917340    -1.331739460 
H23 H    -1.210362540     0.874210850    -1.094648270 
H24 H    -1.572544620     0.868701540    -1.702349280 
H25 H    -1.338301390     0.895074420    -1.465131790 
H26 H    -1.765458460     0.889213240    -1.652971900 
H27 H    -1.531413390     0.915855240    -1.418616530 
H28 H    -1.891608610     0.909848280    -2.024780430 
H29 H    -1.656747810     0.936403330    -1.783866930 
H30 H    -2.128774100     0.937079320    -2.088727000 
H31 H    -2.214002910     0.973735290    -2.026313950 
H32 H    -2.376812520     1.001703890    -1.994538110 
H33 H    -2.353528890     1.046281990    -1.814430580 
H34 H    -1.626827900     1.062718430    -1.281950040 
H35 H    -1.650102090     1.018448460    -1.461021280 
H36 H    -1.823841150     1.116652590    -1.196923810 
H37 H    -1.627880660     1.085798200    -1.038236920 
H38 H    -1.722768040     1.107809240    -1.284456680 

#END
data_-163.774_g26a_fchk_2_5486_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 32.3943
_cell_length_b 8.0298
_cell_length_c 32.4134
_cell_angle_alpha 108.8617
_cell_angle_beta 170.3805
_cell_angle_gamma 76.5427
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     1.182845270     0.468184900     0.936772430 
C2 C     1.320536540     0.586145050     1.122215630 
C3 C     1.091727470     0.548496360     0.926284270 
C4 C     1.227211480     0.665809380     1.109636280 
C5 C     0.998540270     0.628311090     0.913841060 
C6 C     1.134535180     0.745948770     1.097681530 
C7 C     0.906350840     0.708943260     0.902443970 
C8 C     1.043080900     0.827164110     1.086980060 
C9 C     0.815554330     0.790944940     0.892496930 
C10 C     0.953253070     0.910100460     1.077947350 
C11 C     0.726421190     0.874911510     0.884253970 
C12 C     0.865215720     0.995406800     1.070736840 
C13 C     0.638623490     0.960608980     0.877281960 
C14 C     0.782538140     1.082998930     1.068642880 
C15 C     0.465480880     0.891727040     0.800351130 
C16 C     0.106280750     0.734859560     0.492615360 
C17 C    -0.108059730     0.747939380     0.303986980 
C18 C    -0.261844750     0.614109290     0.174207380 
C19 C    -0.205832470     0.462297430     0.229205470 
C20 C     0.006475390     0.448129710     0.415984560 
C21 C     0.161915020     0.583126030     0.547223670 
C22 C    -0.298085210     0.196172050     0.165233690 
N1 N     0.571900640     1.053551440     0.890256050 
N2 N     0.253355760     0.877669130     0.616397630 
O1 O     0.555028500     0.775030520     0.880571100 
O2 O    -0.368573750     0.337571630     0.091264370 
H1 H     1.350929510     0.498071900     1.082108390 
H2 H     1.045589070     0.298761790     0.793199040 
H3 H     1.042877620     0.515449750     0.788894120 
H4 H     1.462558120     0.754755110     1.269389620 
H5 H     1.464579010     0.539458250     1.273033950 
H6 H     0.947410330     0.595178600     0.775217380 
H7 H     0.949445310     0.379757710     0.778869180 
H8 H     1.369564880     0.834487870     1.257082070 
H9 H     1.371443390     0.619035410     1.260590560 
H10 H     0.854218400     0.675017980     0.762798630 
H11 H     0.856271440     0.459676550     0.766519040 
H12 H     1.276994190     0.914554660     1.245161310 
H13 H     1.278766980     0.699168200     1.248629960 
H14 H     0.761933020     0.755559270     0.751295750 
H15 H     0.764088330     0.540408320     0.755230430 
H16 H     1.185678980     0.995650890     1.234477110 
H17 H     1.187290670     0.780401550     1.237922550 
H18 H     0.670997770     0.837379620     0.741170070 
H19 H     0.673329430     0.622581840     0.745488740 
H20 H     1.096009360     1.078409040     1.225417690 
H21 H     1.097382920     0.863398010     1.228866790 
H22 H     0.581639060     0.921011230     0.732622160 
H23 H     0.584416650     0.706880580     0.737751180 
H24 H     1.007994340     1.163500060     1.217946680 
H25 H     1.009325660     0.948882270     1.221716590 
H26 H     0.493172800     1.006660620     0.725269590 
H27 H     0.499307300     0.793863020     0.734400190 
H28 H     0.924559490     1.251003640     1.215543690 
H29 H     0.919883720     1.032740200     1.213158980 
H30 H     0.491822240     1.145947120     0.818098900 
H31 H     0.196327090     0.982575070     0.564636400 
H32 H    -0.154739480     0.864824690     0.258497740 
H33 H    -0.427091430     0.624327280     0.028828140 
H34 H     0.055231660     0.332457510     0.463193960 
H35 H     0.325791060     0.571442450     0.691384920 
H36 H    -0.450569590     0.113996170     0.033744700 
H37 H    -0.327056300     0.082107450     0.104185420 
H38 H    -0.071776850     0.279113810     0.406561680 

#END
data_-163.308_g26a_fchk_14_2319_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.5792
_cell_length_b 86.5983
_cell_length_c 7.05
_cell_angle_alpha 90.0
_cell_angle_beta 51.8993
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.317149960     0.764061890     0.628137200 
C2 C     0.009509110     0.776120360     0.771896080 
C3 C     0.037689390     0.785460160     0.944378390 
C4 C    -0.268813900     0.797556110     1.089063920 
C5 C    -0.240863040     0.806888830     1.261617670 
C6 C    -0.547870770     0.818967050     1.406284910 
C7 C    -0.520867630     0.828303790     1.579216090 
C8 C    -0.828736440     0.840346980     1.723965400 
C9 C    -0.803175030     0.849682190     1.897537410 
C10 C    -1.112391780     0.861668360     2.042567260 
C11 C    -1.088598950     0.870987450     2.217014170 
C12 C    -1.399708160     0.882891390     2.362659050 
C13 C    -1.376489510     0.892190960     2.537372640 
C14 C    -1.690822380     0.903993590     2.681346890 
C15 C    -1.449622760     0.925680540     2.773597450 
C16 C    -1.259129880     0.945605900     2.937134450 
C17 C    -1.272650530     0.949158490     3.136595640 
C18 C    -1.093142020     0.962018170     3.136328760 
C19 C    -0.893456690     0.971754780     2.935531280 
C20 C    -0.878261680     0.968285580     2.736522830 
C21 C    -1.059438450     0.955325590     2.736628800 
C22 C    -0.510444840     0.994050070     2.749470660 
N1 N    -1.676596020     0.912965050     2.849977830 
N2 N    -1.450834140     0.932324370     2.952729120 
O1 O    -1.270024090     0.930550800     2.567494850 
O2 O    -0.725917530     0.984165120     2.952276320 
H1 H     0.290078250     0.757553230     0.506842540 
H2 H     0.591151150     0.769511890     0.518623630 
H3 H     0.310313440     0.755791590     0.748194930 
H4 H    -0.261801300     0.770405860     0.875075880 
H5 H     0.017308720     0.784039220     0.647482030 
H6 H     0.029902770     0.777545410     1.069014010 
H7 H     0.309188740     0.791184260     0.841264730 
H8 H    -0.540153170     0.791822940     1.191981660 
H9 H    -0.260817510     0.805465280     0.964324010 
H10 H    -0.248752250     0.798982620     1.386345530 
H11 H     0.030300740     0.812634550     1.158779060 
H12 H    -0.818966560     0.813215430     1.508905200 
H13 H    -0.539851670     0.826874630     1.281525700 
H14 H    -0.528588330     0.820397850     1.703885100 
H15 H    -0.250086460     0.834079070     1.476700450 
H16 H    -1.099413300     0.834562920     1.826109360 
H17 H    -0.820774710     0.848258640     1.599273760 
H18 H    -0.810523560     0.841770730     2.022012610 
H19 H    -0.533040080     0.855506030     1.795544050 
H20 H    -1.382422580     0.855833900     2.144023840 
H21 H    -1.104627730     0.869594610     1.918112100 
H22 H    -1.095254020     0.863064410     2.341100100 
H23 H    -0.819655390     0.876894330     2.115854410 
H24 H    -1.668769490     0.876972190     2.463261320 
H25 H    -1.392369480     0.890834340     2.238579370 
H26 H    -1.383613130     0.884358100     2.662443030 
H27 H    -1.112212130     0.898395010     2.437933440 
H28 H    -1.960667870     0.898220960     2.783291250 
H29 H    -1.677556390     0.912138260     2.558118740 
H30 H    -1.818516760     0.909120150     3.020332610 
H31 H    -1.609820860     0.927296620     3.116471360 
H32 H    -1.426285970     0.941727680     3.294234200 
H33 H    -1.103836190     0.964764800     3.290342820 
H34 H    -0.726161860     0.975566210     2.578177380 
H35 H    -1.046649280     0.952688120     2.582188520 
H36 H    -0.405045210     1.003071230     2.800325940 
H37 H    -0.276375330     0.987892580     2.591309270 
H38 H    -0.678467990     0.999306850     2.704429690 

#END
data_-162.931_g26a_fchk_2_13220_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.3869
_cell_length_b 10.676
_cell_length_c 25.6455
_cell_angle_alpha 94.4479
_cell_angle_beta 89.7454
_cell_angle_gamma 66.9218
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.054499870     0.206909710     0.231507650 
C2 C     0.122585570     0.065385620     0.204285340 
C3 C     0.214955410     0.053366190     0.145946790 
C4 C     0.283564270    -0.087830980     0.118347280 
C5 C     0.375716420    -0.099859910     0.060019750 
C6 C     0.443890270    -0.241104390     0.032491200 
C7 C     0.535694830    -0.253369420    -0.025857670 
C8 C     0.602988510    -0.394637610    -0.053286670 
C9 C     0.694097860    -0.407196950    -0.111674000 
C10 C     0.759903910    -0.548453020    -0.138982040 
C11 C     0.849865820    -0.561260370    -0.197418760 
C12 C     0.913441360    -0.702434320    -0.224609020 
C13 C     1.002785600    -0.715233600    -0.283037560 
C14 C     1.064519080    -0.857145580    -0.309403840 
C15 C     0.910737880    -0.810741320    -0.400225330 
C16 C     0.851780320    -0.793951160    -0.497091850 
C17 C     1.003755550    -0.858081800    -0.545680780 
C18 C     0.849632980    -0.816778960    -0.591947140 
C19 C     0.537226680    -0.709645220    -0.591016790 
C20 C     0.384439860    -0.645580990    -0.542884400 
C21 C     0.539730390    -0.687064980    -0.496191290 
C22 C     0.102583050    -0.560397990    -0.639759700 
N1 N     1.148581260    -0.872035860    -0.365115870 
N2 N     1.026465930    -0.842045990    -0.451889300 
O1 O     0.627221700    -0.735091790    -0.386283520 
O2 O     0.405192180    -0.676143410    -0.638681120 
H1 H    -0.011260390     0.212703370     0.273049700 
H2 H     0.272460670     0.232190130     0.228559560 
H3 H    -0.150058850     0.286087240     0.213684950 
H4 H    -0.096421660     0.041205140     0.208958430 
H5 H     0.323189760    -0.012213780     0.223604220 
H6 H     0.014323990     0.130994040     0.126565880 
H7 H     0.434150220     0.077558910     0.141228230 
H8 H     0.064340820    -0.111959770     0.123114100 
H9 H     0.484199110    -0.165380930     0.137744620 
H10 H     0.175167400    -0.022298430     0.040612420 
H11 H     0.595080770    -0.075849340     0.055230210 
H12 H     0.224540570    -0.265105670     0.037337780 
H13 H     0.644511730    -0.318641370     0.051893690 
H14 H     0.335221000    -0.175770370    -0.045264620 
H15 H     0.755334910    -0.229596130    -0.030737310 
H16 H     0.383392950    -0.418406900    -0.048310780 
H17 H     0.803636010    -0.472203430    -0.033901970 
H18 H     0.493711890    -0.329490120    -0.131055710 
H19 H     0.914190030    -0.383820810    -0.116698110 
H20 H     0.539900460    -0.571851220    -0.133817930 
H21 H     0.960649230    -0.626120940    -0.119660270 
H22 H     0.649633750    -0.483350800    -0.216744620 
H23 H     1.070737360    -0.538604360    -0.202667990 
H24 H     0.692581610    -0.725175820    -0.219193960 
H25 H     1.114198820    -0.780257410    -0.205368980 
H26 H     0.803573790    -0.637829070    -0.302695790 
H27 H     1.226932190    -0.695571540    -0.288744420 
H28 H     0.845432350    -0.880774480    -0.304462830 
H29 H     1.269974550    -0.934223480    -0.291147060 
H30 H     1.379435620    -0.935005280    -0.377771450 
H31 H     1.265565190    -0.905866130    -0.458777060 
H32 H     1.246403490    -0.941544960    -0.547196480 
H33 H     0.967057200    -0.866211190    -0.629442960 
H34 H     0.142768300    -0.562414730    -0.540739470 
H35 H     0.420413980    -0.637230140    -0.459062170 
H36 H     0.042788820    -0.551603810    -0.680827420 
H37 H    -0.097967070    -0.573391400    -0.618222590 
H38 H     0.127434720    -0.466954540    -0.623531890 

#END
data_-162.918_g26a_fchk_2_15812_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 22.2595
_cell_length_b 4.6548
_cell_length_c 12.4532
_cell_angle_alpha 89.0228
_cell_angle_beta 89.4542
_cell_angle_gamma 121.9705
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.902851850     0.824208630     0.577277810 
C2 C     0.892637230     0.947285660     0.685070410 
C3 C     0.814980610     0.817367420     0.712236830 
C4 C     0.804186400     0.939057210     0.819921930 
C5 C     0.726565000     0.809397850     0.847076360 
C6 C     0.715907290     0.931689820     0.954746840 
C7 C     0.638340150     0.802753590     0.982041740 
C8 C     0.627889470     0.926115490     1.089642300 
C9 C     0.550399080     0.798353380     1.117095200 
C10 C     0.540229230     0.923403110     1.224551550 
C11 C     0.462833350     0.797222240     1.252099220 
C12 C     0.452992970     0.924650270     1.359308590 
C13 C     0.375661320     0.799130240     1.386802970 
C14 C     0.367155260     0.930380190     1.494211390 
C15 C     0.278617340     0.980990040     1.597772770 
C16 C     0.173084290     0.935178130     1.690568600 
C17 C     0.098935470     0.763653320     1.688459850 
C18 C     0.061737320     0.853964910     1.754881750 
C19 C     0.097736210     1.119653820     1.825830200 
C20 C     0.171400100     1.290898730     1.828505370 
C21 C     0.208988570     1.200247590     1.761493020 
C22 C     0.089886220     1.430412650     1.969749680 
N1 N     0.294079840     0.816076620     1.522186270 
N2 N     0.206818540     0.827754140     1.619989710 
O1 O     0.324571370     1.239549080     1.639362740 
O2 O     0.056443130     1.190271840     1.888098930 
H1 H     0.958724030     0.920991260     0.559831350 
H2 H     0.874262570     0.547357470     0.576797170 
H3 H     0.882928410     0.907294720     0.511371980 
H4 H     0.923215540     1.225006290     0.684362610 
H5 H     0.914431390     0.867274270     0.749289990 
H6 H     0.793106650     0.897312120     0.648008490 
H7 H     0.784326840     0.539387320     0.712959590 
H8 H     0.834888870     1.217009570     0.819143210 
H9 H     0.826064070     0.859001840     0.884093700 
H10 H     0.704664870     0.889334380     0.782905150 
H11 H     0.695846430     0.531457650     0.847951390 
H12 H     0.746692800     1.209647600     0.953854770 
H13 H     0.737789810     0.851633100     1.018907640 
H14 H     0.616425890     0.882551070     0.917850270 
H15 H     0.607535130     0.524808140     0.983118700 
H16 H     0.658808110     1.204087330     1.088546060 
H17 H     0.649753750     0.846060460     1.153828500 
H18 H     0.528485500     0.877910140     1.052831140 
H19 H     0.519458000     0.520414630     1.118508170 
H20 H     0.571339190     1.201397630     1.223131480 
H21 H     0.562028430     0.843348070     1.288828090 
H22 H     0.440932420     0.876345500     1.187696030 
H23 H     0.431694570     0.519370020     1.254110840 
H24 H     0.484352610     1.202761200     1.357322330 
H25 H     0.474722790     0.844754160     1.423709340 
H26 H     0.353364150     0.877656880     1.322890910 
H27 H     0.344286190     0.522001000     1.391207380 
H28 H     0.397955750     1.207556160     1.493063970 
H29 H     0.387095070     0.843435800     1.558654030 
H30 H     0.255147980     0.601500710     1.490054220 
H31 H     0.173681940     0.614621260     1.580794450 
H32 H     0.070032760     0.556462070     1.633904730 
H33 H     0.004518640     0.721739970     1.753187070 
H34 H     0.200914000     1.497519580     1.882451290 
H35 H     0.265961560     1.333377000     1.763916800 
H36 H     0.048276060     1.449984970     2.008830990 
H37 H     0.113966480     1.347181040     2.029110390 
H38 H     0.130539110     1.679320660     1.936229100 

#END
data_-162.655_g26a_fchk_2_15792_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 10.926
_cell_length_b 25.1063
_cell_length_c 4.2525
_cell_angle_alpha 84.1469
_cell_angle_beta 106.6134
_cell_angle_gamma 98.3579
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.563749170     0.779268070     0.572298520 
C2 C     0.440212970     0.802675670     0.555815310 
C3 C     0.464016950     0.861875570     0.638729090 
C4 C     0.341035540     0.885678510     0.622945940 
C5 C     0.364802640     0.944849670     0.706013450 
C6 C     0.241696750     0.968550320     0.690391830 
C7 C     0.265199650     1.027699970     0.773760530 
C8 C     0.141934580     1.051236180     0.758608330 
C9 C     0.165086720     1.110347300     0.842611460 
C10 C     0.041626740     1.133650110     0.828399600 
C11 C     0.064433550     1.192696210     0.913468880 
C12 C    -0.059225210     1.215708660     0.900863160 
C13 C    -0.036477160     1.274695400     0.986442810 
C14 C    -0.161443510     1.296783750     0.972903610 
C15 C    -0.204302040     1.391156170     0.836513020 
C16 C    -0.216929480     1.490895770     0.784747550 
C17 C    -0.153862760     1.539674290     0.917947980 
C18 C    -0.194367800     1.588552830     0.778116420 
C19 C    -0.299614970     1.590140960     0.499332670 
C20 C    -0.362630380     1.541846410     0.365278470 
C21 C    -0.321940880     1.492515460     0.506225700 
C22 C    -0.443793040     1.643488300     0.110112390 
N1 N    -0.142579980     1.352806980     1.054809940 
N2 N    -0.169718440     1.442928350     0.943114480 
O1 O    -0.282822670     1.379673290     0.576718840 
O2 O    -0.332447820     1.640275150     0.379194100 
H1 H     0.544008900     0.736984990     0.512558860 
H2 H     0.612907920     0.801576430     0.399333480 
H3 H     0.630836860     0.781453320     0.818491940 
H4 H     0.391274330     0.778794610     0.725063090 
H5 H     0.373634440     0.798896740     0.309174630 
H6 H     0.530649580     0.865708720     0.885576080 
H7 H     0.513007790     0.885813590     0.469451790 
H8 H     0.292084390     0.861698080     0.792126890 
H9 H     0.274474430     0.881834650     0.376068700 
H10 H     0.431388700     0.948710230     0.952848050 
H11 H     0.413659180     0.968856770     0.536746400 
H12 H     0.192825190     0.944494140     0.859486940 
H13 H     0.175145030     0.964701360     0.443514710 
H14 H     0.331831160     1.031568330     1.020538640 
H15 H     0.313885790     1.051799580     0.604452780 
H16 H     0.093213340     1.027054870     0.927605860 
H17 H     0.075364490     1.047403910     0.511752060 
H18 H     0.231824560     1.114205690     1.089269070 
H19 H     0.213483800     1.134595360     0.673225800 
H20 H    -0.006847090     1.109283970     0.997306560 
H21 H    -0.025007830     1.129877400     0.581612300 
H22 H     0.131366430     1.196527410     1.159885930 
H23 H     0.112285650     1.217177190     0.743872260 
H24 H    -0.107237690     1.191077100     1.069958300 
H25 H    -0.125978090     1.212002470     0.654258640 
H26 H     0.030201190     1.278885470     1.232798950 
H27 H     0.008895540     1.299722120     0.814583220 
H28 H    -0.209955140     1.272683230     1.141596930 
H29 H    -0.226517040     1.294386250     0.725227970 
H30 H    -0.077341570     1.363527030     1.265643110 
H31 H    -0.103706550     1.447626360     1.162113500 
H32 H    -0.071871660     1.539258920     1.134416380 
H33 H    -0.145748830     1.626190340     0.881086020 
H34 H    -0.444338240     1.541609970     0.149657730 
H35 H    -0.370964570     1.455275790     0.401477950 
H36 H    -0.452755410     1.686286840     0.054837780 
H37 H    -0.434201250     1.626122140    -0.106683050 
H38 H    -0.530303590     1.623098110     0.172661880 

#END
data_-162.593_g26a_fchk_2_7583_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.2778
_cell_length_b 28.7537
_cell_length_c 31.0091
_cell_angle_alpha 52.7859
_cell_angle_beta 53.155
_cell_angle_gamma 101.8197
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.737218690     0.438681910     0.340915960 
C2 C     1.237659670     0.561071050     0.241156930 
C3 C     0.748364440     0.537627910     0.324522630 
C4 C     1.243472300     0.659468530     0.225715450 
C5 C     0.754318230     0.636057600     0.309020200 
C6 C     1.250329390     0.758014260     0.209993660 
C7 C     0.762208310     0.734856040     0.293023000 
C8 C     1.259239280     0.856954670     0.193689260 
C9 C     0.772273480     0.834126780     0.276348720 
C10 C     1.270295020     0.956390710     0.176616090 
C11 C     0.784099460     0.933878060     0.258895310 
C12 C     1.282653320     1.056295610     0.158719890 
C13 C     0.796449050     1.033828380     0.240894950 
C14 C     1.306731030     1.157524050     0.138500410 
C15 C     1.201411660     1.201396070     0.189264030 
C16 C     0.833378210     1.214908660     0.276071810 
C17 C     0.158695550     1.155864260     0.384538870 
C18 C     0.266849450     1.197354020     0.391829540 
C19 C     1.056620100     1.299575720     0.290448030 
C20 C     1.729549650     1.358582050     0.182506220 
C21 C     1.621543070     1.316897900     0.174956610 
C22 C     1.914943270     1.445928160     0.196457670 
N1 N     0.857418330     1.138866390     0.213848590 
N2 N     0.669483600     1.166972240     0.276188410 
O1 O     1.912942870     1.280421370     0.097842220 
O2 O     1.101372880     1.333679270     0.306440030 
H1 H     1.100430230     0.458127560     0.278650480 
H2 H     0.589260040     0.394617350     0.407302970 
H3 H     0.127971530     0.367692000     0.415225540 
H4 H     1.396224260     0.604952370     0.173363220 
H5 H     1.852550100     0.631524910     0.165783040 
H6 H     0.132724300     0.467118120     0.400007870 
H7 H     0.589311210     0.493697540     0.392422960 
H8 H     1.402644980     0.703360700     0.157810700 
H9 H     1.858853850     0.729908360     0.150289820 
H10 H     0.138785160     0.565594610     0.384485880 
H11 H     0.595569710     0.592260930     0.376855380 
H12 H     1.409576840     0.801827880     0.142091620 
H13 H     1.865690040     0.828444720     0.134572310 
H14 H     0.146483330     0.664349790     0.368539940 
H15 H     0.603883530     0.691230270     0.360779020 
H16 H     1.418470100     0.900619090     0.125811350 
H17 H     1.874585290     0.927403220     0.118266530 
H18 H     0.156220660     0.763518290     0.351958310 
H19 H     0.614718020     0.790790860     0.343961940 
H20 H     1.429319120     0.999808680     0.108800230 
H21 H     1.885589740     1.026902860     0.101189380 
H22 H     0.167509590     0.863082180     0.334665670 
H23 H     0.628289800     0.891088620     0.326191930 
H24 H     1.440513520     1.099248840     0.091105600 
H25 H     1.897994200     1.126922080     0.083245440 
H26 H     0.179441820     0.963294010     0.316762760 
H27 H     0.652492840     0.993537730     0.306218210 
H28 H     1.464912250     1.200991130     0.070901770 
H29 H     1.908979950     1.226559800     0.065941740 
H30 H     0.265678560     1.073236720     0.290952700 
H31 H     0.094731290     1.100496470     0.348095060 
H32 H    -0.459752210     1.076264360     0.464309550 
H33 H    -0.253684540     1.151841950     0.475475390 
H34 H     2.348804740     1.437873020     0.102392640 
H35 H     2.143923910     1.362813970     0.091303920 
H36 H     1.809928200     1.455822330     0.229497210 
H37 H     2.175774230     1.437354850     0.187149760 
H38 H     2.376311050     1.531236940     0.090421320 

#END
data_-162.371_g26a_fchk_14_8355_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 9.5297
_cell_length_b 52.7802
_cell_length_c 7.7886
_cell_angle_alpha 90.0
_cell_angle_beta 33.9969
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.007083800     0.380115590     0.770364230 
C2 C    -0.064386350     0.397691190     0.694534280 
C3 C     0.109689030     0.420632370     0.501403750 
C4 C     0.039799190     0.438335840     0.424282280 
C5 C     0.213686870     0.461280000     0.231372330 
C6 C     0.143282110     0.478969800     0.154794030 
C7 C     0.316676670     0.501948160    -0.037779240 
C8 C     0.245414150     0.519625320    -0.113363270 
C9 C     0.418036100     0.542660150    -0.305303150 
C10 C     0.345490120     0.560333530    -0.379312420 
C11 C     0.517104450     0.583442000    -0.570244130 
C12 C     0.442849920     0.601133720    -0.642032710 
C13 C     0.614024920     0.624258680    -0.832392790 
C14 C     0.535799250     0.641695660    -0.900721880 
C15 C     0.596272220     0.687918610    -0.965456190 
C16 C     0.732041190     0.733364400    -1.126082030 
C17 C     0.918972570     0.748921600    -1.386269340 
C18 C     0.897710340     0.775038910    -1.360809820 
C19 C     0.687747510     0.786443990    -1.073008430 
C20 C     0.501048310     0.771109340    -0.813497830 
C21 C     0.522352660     0.744764790    -0.838823680 
C22 C     0.457425670     0.824588810    -0.793835760 
N1 N     0.694863720     0.663935160    -1.080484000 
N2 N     0.768957690     0.706954350    -1.172371160 
O1 O     0.377642020     0.691636680    -0.704080240 
O2 O     0.683691090     0.812342860    -1.071094950 
H1 H    -0.120324450     0.363935670     0.908626080 
H2 H     0.197467230     0.372720790     0.560905210 
H3 H     0.001193610     0.390164850     0.899174920 
H4 H    -0.257806450     0.404309460     0.907980030 
H5 H    -0.062479570     0.387034300     0.571764670 
H6 H     0.107931220     0.431315490     0.624070150 
H7 H     0.303352680     0.414026900     0.287697220 
H8 H    -0.153907470     0.444917670     0.638090800 
H9 H     0.041621840     0.427641060     0.301623470 
H10 H     0.211960010     0.471975620     0.353931120 
H11 H     0.407392570     0.454710050     0.017424580 
H12 H    -0.050523440     0.485513980     0.368836420 
H13 H     0.145100650     0.468272490     0.032153760 
H14 H     0.315048620     0.512638990     0.084702190 
H15 H     0.510470420     0.495421600    -0.252086140 
H16 H     0.051451090     0.526108370     0.101088680 
H17 H     0.247252770     0.508936510    -0.236053680 
H18 H     0.416550560     0.553330990    -0.182881460 
H19 H     0.611957150     0.536203810    -0.520190450 
H20 H     0.151304650     0.566727400    -0.164228230 
H21 H     0.347403640     0.549674580    -0.502185340 
H22 H     0.515861170     0.594071980    -0.447908300 
H23 H     0.711149480     0.577098300    -0.786076030 
H24 H     0.248352130     0.607409860    -0.425867190 
H25 H     0.444752090     0.590518630    -0.765032740 
H26 H     0.613572300     0.635027700    -0.711485150 
H27 H     0.807588730     0.618174490    -1.051257300 
H28 H     0.342442300     0.648169000    -0.686835210 
H29 H     0.544018940     0.631309170    -1.030071660 
H30 H     0.875144280     0.661442520    -1.297878140 
H31 H     0.944492050     0.701639200    -1.382267560 
H32 H     1.083441890     0.740409000    -1.611851700 
H33 H     1.042075790     0.787042670    -1.561598790 
H34 H     0.336105730     0.779304810    -0.587381770 
H35 H     0.377350890     0.732987840    -0.637406730 
H36 H     0.494405680     0.844825690    -0.841006720 
H37 H     0.302956840     0.819578310    -0.723668460 
H38 H     0.403750960     0.819967310    -0.607181600 

#END
data_-162.305_g26a_fchk_2_12057_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 25.1998
_cell_length_b 4.2441
_cell_length_c 15.5742
_cell_angle_alpha 138.0052
_cell_angle_beta 88.7587
_cell_angle_gamma 85.6999
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.279247950     0.505121050     0.934038990 
C2 C     0.303355770     0.757047620     1.058578350 
C3 C     0.361945650     0.560872940     1.034708160 
C4 C     0.386441920     0.810508750     1.158689230 
C5 C     0.445003250     0.614297780     1.134859520 
C6 C     0.469398390     0.864158480     1.258971400 
C7 C     0.527939620     0.668245200     1.235414980 
C8 C     0.552171630     0.918180070     1.359699130 
C9 C     0.610675940     0.722449120     1.336509600 
C10 C     0.634675810     0.972161570     1.461011360 
C11 C     0.693116190     0.776218730     1.438190880 
C12 C     0.716826330     1.025144930     1.562926330 
C13 C     0.775207350     0.828905950     1.540175020 
C14 C     0.798008510     1.082538180     1.666238070 
C15 C     0.892169620     1.199515020     1.707317400 
C16 C     0.991409420     1.165394310     1.718614340 
C17 C     1.039517490     0.851733390     1.652755700 
C18 C     1.088479510     1.017721660     1.691643500 
C19 C     1.090826830     1.504807120     1.798022820 
C20 C     1.043199300     1.818688820     1.863812380 
C21 C     0.993785960     1.651717540     1.824755590 
C22 C     1.145029360     2.121477200     1.941629840 
N1 N     0.853473520     0.901384390     1.647419950 
N2 N     0.943307840     0.966441570     1.672897880 
O1 O     0.881482030     1.628240690     1.784270150 
O2 O     1.140983630     1.634378440     1.829096050 
H1 H     0.237419260     0.651550740     0.953855980 
H2 H     0.301356250     0.540891620     0.880905870 
H3 H     0.280628190     0.124974860     0.870066110 
H4 H     0.279687570     0.726124460     1.111456120 
H5 H     0.300388180     1.138327010     1.122057510 
H6 H     0.364966490     0.179220740     0.971176560 
H7 H     0.385670180     0.591649520     0.981775920 
H8 H     0.362675100     0.779787430     1.211580430 
H9 H     0.383410000     1.192049920     1.222148020 
H10 H     0.448051680     0.232725590     1.071374410 
H11 H     0.468797330     0.645272410     1.082062310 
H12 H     0.445555860     0.833435050     1.311781910 
H13 H     0.466361340     1.245685300     1.322420770 
H14 H     0.530995580     0.286621680     1.171882700 
H15 H     0.551826870     0.699516910     1.182788120 
H16 H     0.528203820     0.887370890     1.412357960 
H17 H     0.549151260     1.299707290     1.423167160 
H18 H     0.613721460     0.340726010     1.272867700 
H19 H     0.634712800     0.754242830     1.284171740 
H20 H     0.610522730     0.941120650     1.513421320 
H21 H     0.631714980     1.353693080     1.524544790 
H22 H     0.696133750     0.394341590     1.374347760 
H23 H     0.717388530     0.809110440     1.386397700 
H24 H     0.692406040     0.993241860     1.614876620 
H25 H     0.713932160     1.406678530     1.626581490 
H26 H     0.778583500     0.447225160     1.476582190 
H27 H     0.800041810     0.868614380     1.490847850 
H28 H     0.774120110     1.051483660     1.718677810 
H29 H     0.796406170     1.460059520     1.728148190 
H30 H     0.863533060     0.548761290     1.583425290 
H31 H     0.947367730     0.610940280     1.608257700 
H32 H     1.038506900     0.472073970     1.569848500 
H33 H     1.125600460     0.775590150     1.640869210 
H34 H     1.043558360     2.197670170     1.946462590 
H35 H     0.957063450     1.895997180     1.875924560 
H36 H     1.187704810     2.146825500     1.948852490 
H37 H     1.127263740     2.343550950     1.934263410 
H38 H     1.125792520     2.248871100     2.028460600 

#END
data_-162.170_g26a_fchk_2_13815_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 25.9292
_cell_length_b 78.5182
_cell_length_c 25.1627
_cell_angle_alpha 9.2677
_cell_angle_beta 170.6263
_cell_angle_gamma 171.3899
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -0.147412640     0.935889180     0.824061730 
C2 C     0.000678000     1.059741290     0.624333050 
C3 C    -0.110970110     1.035725690     0.643618500 
C4 C     0.035802890     1.159020410     0.444636280 
C5 C    -0.075954330     1.135044150     0.463665870 
C6 C     0.070802160     1.258467710     0.264178660 
C7 C    -0.040963740     1.234761260     0.282369020 
C8 C     0.105515690     1.358353090     0.081935740 
C9 C    -0.006491560     1.335007640     0.098763470 
C10 C     0.139291700     1.458810100    -0.103231470 
C11 C     0.026614790     1.435825450    -0.088221110 
C12 C     0.171055820     1.559850850    -0.292518400 
C13 C     0.057945190     1.536932050    -0.278199060 
C14 C     0.204786830     1.662279070    -0.484977560 
C15 C     0.377545780     1.704873670    -0.345777520 
C16 C     0.434808430     1.717229600    -0.226107940 
C17 C     0.235559920     1.653346710    -0.185204030 
C18 C     0.412787770     1.693653860    -0.080005780 
C19 C     0.796598740     1.799516950    -0.011906050 
C20 C     0.996624660     1.863345940    -0.051387540 
C21 C     0.818122690     1.822856280    -0.157764620 
C22 C     1.326173610     1.944044420     0.137705170 
N1 N     0.099708930     1.643279990    -0.477325300 
N2 N     0.232278370     1.670163520    -0.335442080 
O1 O     0.717437280     1.783395730    -0.252579940 
O2 O     0.946389220     1.832093730     0.090277410 
H1 H    -0.064196380     0.955794380     0.805511610 
H2 H    -0.032221300     0.884078450     1.117034330 
H3 H    -0.462146780     0.871040480     0.705526590 
H4 H    -0.110980600     1.111314500     0.334040930 
H5 H     0.315419410     1.124098280     0.742759570 
H6 H    -0.425976880     0.971315640     0.525139470 
H7 H     0.000656800     0.984098660     0.934097140 
H8 H    -0.075769100     1.210607090     0.154291340 
H9 H     0.350762820     1.223358270     0.563274230 
H10 H    -0.390900560     1.070680410     0.345135940 
H11 H     0.035802680     1.083551350     0.753941180 
H12 H    -0.040765920     1.309974510    -0.025998430 
H13 H     0.385752200     1.322796190     0.382829690 
H14 H    -0.355904180     1.170350990     0.163992200 
H15 H     0.071010690     1.183438120     0.572445680 
H16 H    -0.006109780     1.409709460    -0.207972600 
H17 H     0.420463870     1.422700030     0.200546210 
H18 H    -0.321427840     1.270489100    -0.019294480 
H19 H     0.105861110     1.283972320     0.388503920 
H20 H     0.027501370     1.509919300    -0.392748190 
H21 H     0.454237380     1.523221790     0.015241790 
H22 H    -0.288293970     1.371108220    -0.205682860 
H23 H     0.139747010     1.385332850     0.200905070 
H24 H     0.058601190     1.610501840    -0.581591210 
H25 H     0.485944870     1.624382640    -0.174395590 
H26 H    -0.256655020     1.472464620    -0.395742740 
H27 H     0.175943280     1.488902310     0.008959120 
H28 H     0.093227670     1.713419590    -0.774091660 
H29 H     0.518815070     1.725086110    -0.361238990 
H30 H    -0.177746920     1.578035790    -0.548620160 
H31 H    -0.053698100     1.604163720    -0.419004150 
H32 H    -0.062778460     1.570868890    -0.236751720 
H33 H     0.258896340     1.644404440    -0.048723560 
H34 H     1.293875980     1.945545760    -0.000743940 
H35 H     0.974175090     1.872510640    -0.187702230 
H36 H     1.387757770     1.952673930     0.216139510 
H37 H     1.536593540     1.935424230     0.356802880 
H38 H     1.348918470     2.030360080    -0.118797980 

#END
data_-161.969_g26a_fchk_2_13668_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 8.7508
_cell_length_b 29.8105
_cell_length_c 5.5597
_cell_angle_alpha 62.8546
_cell_angle_beta 93.0667
_cell_angle_gamma 64.1111
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.088563510     0.803674210     0.540508870 
C2 C    -0.073361760     0.847631770     0.568806010 
C3 C    -0.034682130     0.886384600     0.639292950 
C4 C    -0.195821510     0.930515730     0.668059250 
C5 C    -0.157173160     0.969239550     0.738693890 
C6 C    -0.318455390     1.013295820     0.767638790 
C7 C    -0.280117230     1.052027780     0.838629540 
C8 C    -0.441554230     1.095939910     0.868035430 
C9 C    -0.403603230     1.134656270     0.939707980 
C10 C    -0.565191090     1.178336910     0.970002810 
C11 C    -0.527574760     1.216981230     1.042739420 
C12 C    -0.689248200     1.260332110     1.074515680 
C13 C    -0.651653790     1.298898370     1.147723940 
C14 C    -0.815104730     1.341791430     1.179035620 
C15 C    -0.790104250     1.428732180     1.041956050 
C16 C    -0.743558200     1.509528500     0.992667510 
C17 C    -0.674645470     1.526207380     1.149169540 
C18 C    -0.668841790     1.577295220     1.014067070 
C19 C    -0.731950570     1.613400540     0.716913410 
C20 C    -0.800342330     1.597066330     0.559963080 
C21 C    -0.806407580     1.545574250     0.695967650 
C22 C    -0.766570550     1.697637940     0.302688390 
N1 N    -0.782882090     1.378884160     1.250043010 
N2 N    -0.745122200     1.456944870     1.147113190 
O1 O    -0.834284410     1.446028250     0.789663000 
O2 O    -0.720775170     1.662918170     0.603054500 
H1 H     0.057338320     0.776546930     0.490616090 
H2 H     0.133814900     0.826495260     0.371038640 
H3 H     0.201090240     0.774009590     0.738349700 
H4 H    -0.118695640     0.823738570     0.734764280 
H5 H    -0.185254890     0.875900830     0.370278760 
H6 H     0.077301830     0.858134960     0.837990530 
H7 H     0.010715450     0.910318040     0.473294980 
H8 H    -0.241177220     0.906546790     0.833954710 
H9 H    -0.307715930     0.958745380     0.469309910 
H10 H    -0.045251120     0.941022530     0.937397960 
H11 H    -0.111949250     0.993255140     0.572755020 
H12 H    -0.363716050     0.989255180     0.933425350 
H13 H    -0.430337570     1.041519420     0.568886050 
H14 H    -0.168142380     1.023813140     1.037268470 
H15 H    -0.235119350     1.076155830     0.672718060 
H16 H    -0.486628850     1.071773870     1.033675340 
H17 H    -0.553458230     1.124179320     0.669308700 
H18 H    -0.291503220     1.106422700     1.138202880 
H19 H    -0.358989610     1.158968670     0.773834360 
H20 H    -0.609952490     1.153976810     1.135465500 
H21 H    -0.677172150     1.206632940     0.771363680 
H22 H    -0.415247110     1.188706960     1.240951990 
H23 H    -0.483691670     1.241606800     0.876876480 
H24 H    -0.733389250     1.235649000     1.239972910 
H25 H    -0.801364150     1.288691880     0.876084380 
H26 H    -0.539666720     1.270976950     1.345993350 
H27 H    -0.611223480     1.324618590     0.980706900 
H28 H    -0.859940940     1.317677330     1.344339300 
H29 H    -0.925176650     1.371016080     0.979180230 
H30 H    -0.744260240     1.365351830     1.456592860 
H31 H    -0.710624870     1.438599860     1.359702910 
H32 H    -0.624924020     1.498710690     1.380216510 
H33 H    -0.615782030     1.590184200     1.134879930 
H34 H    -0.850201470     1.623961160     0.329797150 
H35 H    -0.859340460     1.533118460     0.573587140 
H36 H    -0.749520530     1.734458730     0.257403550 
H37 H    -0.678375850     1.672680260     0.220814650 
H38 H    -0.905905850     1.714606760     0.196923590 

#END
data_-161.488_g26a_fchk_2_8572_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 19.1995
_cell_length_b 5.4066
_cell_length_c 15.6109
_cell_angle_alpha 70.3474
_cell_angle_beta 47.127
_cell_angle_gamma 79.3078
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.845436700     0.470167140     0.689096470 
C2 C     0.932905340     0.620552300     0.636683450 
C3 C     0.920010110     0.692893950     0.733326750 
C4 C     1.007117070     0.843399370     0.681828960 
C5 C     0.994230730     0.915891230     0.778402400 
C6 C     1.081393250     1.066615610     0.726671430 
C7 C     1.068658130     1.139654880     0.823023650 
C8 C     1.155867120     1.290848910     0.770940300 
C9 C     1.143313900     1.364796060     0.866978400 
C10 C     1.230547880     1.516837550     0.814408710 
C11 C     1.218137010     1.592014500     0.910087450 
C12 C     1.305340710     1.745405210     0.856930750 
C13 C     1.292922350     1.821025050     0.952471870 
C14 C     1.380926860     1.974708040     0.897148780 
C15 C     1.383877820     1.873051490     1.060581220 
C16 C     1.374688140     1.844529060     1.232035160 
C17 C     1.338388190     1.967852410     1.320320840 
C18 C     1.344466900     1.857471180     1.408731710 
C19 C     1.387169330     1.619153860     1.411604040 
C20 C     1.423259180     1.495246610     1.324306010 
C21 C     1.417243770     1.606469900     1.235021970 
C22 C     1.433811300     1.286477760     1.507324650 
N1 N     1.370920230     2.050349310     0.985975150 
N2 N     1.365858530     1.970828620     1.145025950 
O1 O     1.409868290     1.652631270     1.050772650 
O2 O     1.389878900     1.525843150     1.502236120 
H1 H     0.856517170     0.421401290     0.618189170 
H2 H     0.828751360     0.285941370     0.759028930 
H3 H     0.782742830     0.586460450     0.731690880 
H4 H     0.949474670     0.800616070     0.564815790 
H5 H     0.995045490     0.502341310     0.592233320 
H6 H     0.857826940     0.811236000     0.777884110 
H7 H     0.903416840     0.512777180     0.805310720 
H8 H     1.023684350     1.023366140     0.609816060 
H9 H     1.069252980     0.724940220     0.637307030 
H10 H     0.932083860     1.034296060     0.822966090 
H11 H     0.977737210     0.735986230     0.850389400 
H12 H     1.097901930     1.246372630     0.654610470 
H13 H     1.143522090     0.948142140     0.682148870 
H14 H     1.006486210     1.257964250     0.867631220 
H15 H     1.052295870     0.959978710     0.895022780 
H16 H     1.172263100     1.470271900     0.698811710 
H17 H     1.218009280     1.172424210     0.726427710 
H18 H     1.081078200     1.482874640     0.911649010 
H19 H     1.127173680     1.185495910     0.938986490 
H20 H     1.246756520     1.695779100     0.742196340 
H21 H     1.292737290     1.398581270     0.769932550 
H22 H     1.155784400     1.709648910     0.954861860 
H23 H     1.202412890     1.413344390     0.982048840 
H24 H     1.321185860     1.923780600     0.784662560 
H25 H     1.367606060     1.627477360     0.812460310 
H26 H     1.230799900     1.939131870     0.997571890 
H27 H     1.279107920     1.643877820     1.023541090 
H28 H     1.397217540     2.153682460     0.825286330 
H29 H     1.442349900     1.854667320     0.855693830 
H30 H     1.348527660     2.229789100     0.996976720 
H31 H     1.344674360     2.155877290     1.144813180 
H32 H     1.304924730     2.153068510     1.319596750 
H33 H     1.316515010     1.952766640     1.476801040 
H34 H     1.456703020     1.310659960     1.323908570 
H35 H     1.445218960     1.509764700     1.167747110 
H36 H     1.428725930     1.248813110     1.584517070 
H37 H     1.397112250     1.122820700     1.522331670 
H38 H     1.508968530     1.302104360     1.423668670 

#END
data_-161.362_g26a_fchk_2_10590_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 68.4009
_cell_length_b 25.2093
_cell_length_c 12.8723
_cell_angle_alpha 61.1769
_cell_angle_beta 136.9869
_cell_angle_gamma 161.4689
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.671900890     0.944465460     0.314387700 
C2 C     0.547250620     0.704702330     0.162419690 
C3 C     0.676917240     1.041555410     0.373784250 
C4 C     0.553656370     0.805151590     0.223928390 
C5 C     0.683405980     1.142143470     0.435530250 
C6 C     0.560106970     0.905540040     0.285796590 
C7 C     0.689847220     1.242474720     0.497674880 
C8 C     0.566712770     1.006022510     0.348578340 
C9 C     0.696642050     1.343289310     0.561262520 
C10 C     0.574013880     1.107620750     0.413621990 
C11 C     0.704503880     1.445963810     0.627921710 
C12 C     0.582934100     1.212163980     0.482964770 
C13 C     0.713783020     1.551184740     0.698138070 
C14 C     0.589575030     1.310800070     0.549562290 
C15 C     0.535242510     1.290933880     0.457122130 
C16 C     0.560989260     1.448329730     0.490223520 
C17 C     0.727872530     1.856130600     0.747223000 
C18 C     0.635164590     1.708103760     0.591877770 
C19 C     0.371282240     1.144643480     0.172338970 
C20 C     0.203891010     0.736293780    -0.085812440 
C21 C     0.297333540     0.885407290     0.070904030 
C22 C     0.066504500     0.543855120    -0.299179230 
N1 N     0.711671320     1.628112170     0.752174870 
N2 N     0.672288490     1.637025760     0.675540080 
O1 O     0.284893100     0.744259860     0.048717150 
O2 O     0.298384850     1.040320860     0.048381740 
H1 H     0.576101290     0.697098610     0.159508290 
H2 H     0.580608570     0.781901210     0.050710310 
H3 H     0.957184370     1.543946850     0.853062870 
H4 H     0.634611040     0.857348660     0.418529130 
H5 H     0.261197000     0.101873010    -0.377337630 
H6 H     0.963236840     1.645001210     0.914016380 
H7 H     0.589614330     0.889094770     0.117702760 
H8 H     0.640890330     0.957423690     0.479849330 
H9 H     0.267375410     0.201777990    -0.316289650 
H10 H     0.969683440     1.745529650     0.975702510 
H11 H     0.596016570     0.989572660     0.179358190 
H12 H     0.647302520     1.057652150     0.541603190 
H13 H     0.273832630     0.302175060    -0.254413660 
H14 H     0.976124410     1.845871400     1.037792720 
H15 H     0.602303390     1.089676640     0.241288770 
H16 H     0.653902650     1.157991520     0.604299940 
H17 H     0.280447780     0.402694560    -0.191603960 
H18 H     0.982913320     1.946668150     1.101261360 
H19 H     0.608823720     1.190070070     0.304492300 
H20 H     0.661267940     1.259530670     0.669346510 
H21 H     0.287778520     0.504417280    -0.126469640 
H22 H     0.990742140     2.049253890     1.167660890 
H23 H     0.616085490     1.291726680     0.370283070 
H24 H     0.670666810     1.364798710     0.739409150 
H25 H     0.296778990     0.609195300    -0.056875120 
H26 H     0.999912740     2.154634780     1.237665400 
H27 H     0.621200040     1.388760320     0.433831120 
H28 H     0.676750080     1.462839000     0.804972360 
H29 H     0.304872670     0.712396890     0.010135160 
H30 H     0.915022010     2.073798290     1.082201160 
H31 H     0.879651260     2.084886830     1.014287560 
H32 H     0.933421890     2.295892570     1.073820880 
H33 H     0.764158370     2.023230300     0.790661280 
H34 H    -0.001438070     0.296349940    -0.412088710 
H35 H     0.166913070     0.567662530    -0.130388620 
H36 H     0.045768580     0.544134750    -0.342173360 
H37 H    -0.192708350    -0.016291930    -0.803772930 
H38 H     0.167532680     0.723336050    -0.020466380 

#END
data_-161.299_g26a_fchk_4_14761_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 47.7036
_cell_length_b 5.3564
_cell_length_c 4.4966
_cell_angle_alpha 90.0
_cell_angle_beta 73.0522
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.526239820     0.354698560     0.191915120 
C2 C     0.548546420     0.506619560    -0.055241600 
C3 C     0.568640560     0.665472110     0.078817340 
C4 C     0.591038600     0.818188380    -0.166550500 
C5 C     0.611118530     0.977130180    -0.032593680 
C6 C     0.633478980     1.129874430    -0.278348170 
C7 C     0.653564160     1.289242710    -0.144974930 
C8 C     0.675852910     1.442147450    -0.391239300 
C9 C     0.695932500     1.602234010    -0.258629940 
C10 C     0.718106850     1.755538570    -0.505522020 
C11 C     0.738153770     1.916601550    -0.373654470 
C12 C     0.760166210     2.070682870    -0.621187330 
C13 C     0.780175320     2.232055430    -0.489473010 
C14 C     0.801950180     2.384804240    -0.741141820 
C15 C     0.846441990     2.445442720    -0.577968810 
C16 C     0.888026430     2.578664850    -0.376815910 
C17 C     0.896976590     2.766839510    -0.207374570 
C18 C     0.922997350     2.747378590    -0.131660300 
C19 C     0.940930780     2.538033820    -0.223329890 
C20 C     0.932159690     2.350112490    -0.391302590 
C21 C     0.905931450     2.369597080    -0.468041270 
C22 C     0.984669220     2.324070270    -0.220005520 
N1 N     0.821192160     2.541113380    -0.622072490 
N2 N     0.861273200     2.613760820    -0.445040120 
O1 O     0.854750650     2.232886050    -0.653769040 
O2 O     0.966189340     2.535775520    -0.137917230 
H1 H     0.512166050     0.243438950     0.090030780 
H2 H     0.537213890     0.226675050     0.311509700 
H3 H     0.512104110     0.476760570     0.367955760 
H4 H     0.537011140     0.628506970    -0.176653860 
H5 H     0.561968960     0.380508440    -0.232160500 
H6 H     0.555228730     0.791794040     0.255943650 
H7 H     0.580196250     0.543629650     0.200412820 
H8 H     0.579464430     0.939836450    -0.288119620 
H9 H     0.604440120     0.691755060    -0.343534120 
H10 H     0.597723280     1.103542660     0.144461760 
H11 H     0.622716110     0.855562270     0.088789680 
H12 H     0.621867950     1.251230390    -0.399842400 
H13 H     0.646877430     1.003421950    -0.455317220 
H14 H     0.640169920     1.415586710     0.032185480 
H15 H     0.665218870     1.167993660    -0.023859990 
H16 H     0.664177610     1.563035590    -0.512563610 
H17 H     0.689259490     1.315761540    -0.568226520 
H18 H     0.682528180     1.728368990    -0.081257570 
H19 H     0.707680800     1.481502010    -0.137981720 
H20 H     0.706332320     1.875751160    -0.626533650 
H21 H     0.731542550     1.629385220    -0.682572220 
H22 H     0.724727810     2.042320730    -0.195906200 
H23 H     0.750060740     1.796701870    -0.253950380 
H24 H     0.748227870     2.190059150    -0.741482870 
H25 H     0.773635090     1.944910530    -0.798400190 
H26 H     0.766928950     2.358699490    -0.311853610 
H27 H     0.792630700     2.113939920    -0.374826780 
H28 H     0.790300240     2.505435670    -0.861931000 
H29 H     0.815856450     2.259323540    -0.913117010 
H30 H     0.814729620     2.716197650    -0.554437360 
H31 H     0.852325330     2.784363400    -0.391768970 
H32 H     0.883330380     2.930855330    -0.133996590 
H33 H     0.929912350     2.892700940    -0.001101570 
H34 H     0.945499000     2.185603710    -0.465764680 
H35 H     0.899237770     2.223657300    -0.597845450 
H36 H     1.003306500     2.360167230    -0.132716460 
H37 H     0.973537300     2.153476350    -0.112305800 
H38 H     0.992451620     2.298513200    -0.472677360 

#END
data_-160.902_g26a_fchk_14_8426_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.6215
_cell_length_b 49.6698
_cell_length_c 14.9642
_cell_angle_alpha 90.0
_cell_angle_beta 138.5405
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.954623340     0.923664080     0.980852000 
C2 C     1.336164990     0.943421320     1.077119810 
C3 C     1.257400460     0.965504040     1.128400270 
C4 C     1.637187550     0.985375910     1.224784370 
C5 C     1.558453890     1.007464050     1.276005170 
C6 C     1.938493980     1.027327840     1.372267080 
C7 C     1.860402150     1.049458550     1.423512210 
C8 C     2.240639580     1.069319400     1.519507180 
C9 C     2.163296280     1.091519650     1.570713890 
C10 C     2.543606540     1.111391870     1.666248700 
C11 C     2.466801470     1.133682380     1.717272820 
C12 C     2.846889200     1.153594150     1.812108500 
C13 C     2.770015130     1.175907260     1.862954400 
C14 C     3.153938700     1.195600800     1.957353310 
C15 C     2.882258920     1.240624980     1.934798900 
C16 C     2.676460430     1.285388670     1.952934430 
C17 C     2.634825470     1.299049280     2.024918610 
C18 C     2.445912770     1.324322680     1.985405830 
C19 C     2.292495060     1.336769710     1.872223990 
C20 C     2.333382280     1.323339760     1.800323920 
C21 C     2.523538220     1.297838570     1.840003100 
C22 C     1.953687590     1.375104650     1.727484180 
N1 N     3.088743140     1.217133630     2.006814350 
N2 N     2.871367680     1.259683680     1.999769340 
O1 O     2.721829810     1.243820340     1.823716130 
O2 O     2.110861660     1.361703930     1.841081980 
H1 H     1.019171320     0.908152990     0.945670630 
H2 H     0.892791060     0.913528200     1.030232070 
H3 H     0.653811320     0.934077850     0.891995510 
H4 H     1.398217150     0.952773500     1.026333170 
H5 H     1.634953540     0.932411500     1.163609680 
H6 H     0.958389450     0.976539590     1.041910240 
H7 H     1.195232360     0.956162390     1.179248580 
H8 H     1.699260440     0.994693040     1.173880920 
H9 H     1.935995760     0.974327080     1.311232280 
H10 H     1.259597670     1.018512560     1.189578960 
H11 H     1.496708180     0.998159770     1.327012370 
H12 H     2.000334710     1.036606170     1.321240090 
H13 H     2.237272150     1.016276370     1.458703270 
H14 H     1.561439310     1.060500730     1.337088680 
H15 H     1.799217200     1.040199560     1.474740800 
H16 H     2.302022610     1.078534640     1.468256290 
H17 H     2.539470540     1.058276710     1.605970540 
H18 H     1.864066510     1.102538780     1.484254320 
H19 H     2.103062570     1.082334140     1.622308310 
H20 H     2.604216060     1.120514890     1.614641940 
H21 H     2.842625010     1.100380000     1.752809750 
H22 H     2.167086370     1.144655040     1.630739460 
H23 H     2.408367280     1.124615980     1.769506780 
H24 H     2.905940820     1.162595150     1.759862560 
H25 H     3.146208810     1.142629010     1.898775380 
H26 H     2.471236210     1.187018180     1.777060450 
H27 H     2.720089010     1.167128320     1.917694300 
H28 H     3.214868550     1.204798150     1.906188070 
H29 H     3.449345670     1.184798240     2.045300970 
H30 H     3.221798610     1.215171090     2.098752340 
H31 H     3.014980850     1.254834970     2.091416360 
H32 H     2.752247660     1.289708860     2.113157150 
H33 H     2.413503170     1.334853720     2.040907590 
H34 H     2.218361610     1.332387780     1.712329700 
H35 H     2.554625070     1.287542340     1.784091140 
H36 H     1.822706020     1.394250440     1.720353010 
H37 H     2.216547370     1.378882640     1.740161560 
H38 H     1.693408910     1.363603470     1.634439970 

#END
data_-160.803_g26a_fchk_2_9720_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.5148
_cell_length_b 19.7117
_cell_length_c 22.3015
_cell_angle_alpha 34.9067
_cell_angle_beta 102.6099
_cell_angle_gamma 104.9051
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.305633090     0.762615230     0.838783810 
C2 C     0.470958010     0.876436590     0.734419040 
C3 C     0.629433580     0.966136980     0.721903760 
C4 C     0.795511340     1.080324000     0.617751450 
C5 C     0.953807410     1.170048430     0.605185400 
C6 C     1.119474170     1.284216540     0.500929810 
C7 C     1.277654150     1.374169310     0.488097770 
C8 C     1.442511760     1.488333290     0.383670450 
C9 C     1.600359560     1.578635760     0.370444340 
C10 C     1.763887000     1.692843580     0.265747520 
C11 C     1.921041320     1.783566020     0.252058640 
C12 C     2.082628000     1.897911450     0.146980890 
C13 C     2.239286250     1.988721600     0.133165400 
C14 C     2.398696970     2.102401740     0.027451140 
C15 C     2.790387480     2.273584440    -0.055471720 
C16 C     3.162808050     2.441223470    -0.117765270 
C17 C     3.287828830     2.488515450    -0.092288760 
C18 C     3.526500170     2.582314860    -0.149031630 
C19 C     3.648127260     2.631836010    -0.233326110 
C20 C     3.525430580     2.585190110    -0.258998990 
C21 C     3.284535710     2.490646970    -0.201885230 
C22 C     3.974638070     2.791536670    -0.381606140 
N1 N     2.548615750     2.190690730     0.011973370 
N2 N     2.919409020     2.346012650    -0.056175580 
O1 O     2.876885170     2.281864020    -0.109687620 
O2 O     3.883180460     2.724184850    -0.284617600 
H1 H     0.194260180     0.700289750     0.845582550 
H2 H     0.465877630     0.715980800     0.904973230 
H3 H     0.129098840     0.783525700     0.847072620 
H4 H     0.306944240     0.919711520     0.669540860 
H5 H     0.641522250     0.852785540     0.727073720 
H6 H     0.458918430     0.989881810     0.729239670 
H7 H     0.793649340     0.922899970     0.786814190 
H8 H     0.631173060     1.123448290     0.552903220 
H9 H     0.965965310     1.056507020     0.610482590 
H10 H     0.783427850     1.193861140     0.612477940 
H11 H     1.118349140     1.127004760     0.669964970 
H12 H     0.954860470     1.327155880     0.436183710 
H13 H     1.289903780     1.260385850     0.493670010 
H14 H     1.107312670     1.397947370     0.495435810 
H15 H     1.442659920     1.331364020     0.552719940 
H16 H     1.277406100     1.530965630     0.319100220 
H17 H     1.613001370     1.464544430     0.376387110 
H18 H     1.429994670     1.602295490     0.377894470 
H19 H     1.766125990     1.536220360     0.434803530 
H20 H     1.598008680     1.735018970     0.201447800 
H21 H     1.934593320     1.669201830     0.258382040 
H22 H     1.750612040     1.806990960     0.259720530 
H23 H     2.088104930     1.741802100     0.315947060 
H24 H     1.915390680     1.939440370     0.083096930 
H25 H     2.253538320     1.874493120     0.139466150 
H26 H     2.070375230     2.012817660     0.140530700 
H27 H     2.411112010     1.948850060     0.195298300 
H28 H     2.233960860     2.144927020    -0.036913660 
H29 H     2.574220460     2.079423880     0.021143170 
H30 H     2.484335580     2.185132960     0.056477810 
H31 H     2.829129130     2.330952220    -0.007984800 
H32 H     3.196453870     2.451190070    -0.027032700 
H33 H     3.622802590     2.618861870    -0.129411370 
H34 H     3.614137890     2.621338430    -0.323698810 
H35 H     3.190562590     2.454843380    -0.222022470 
H36 H     4.160896980     2.859814200    -0.408993050 
H37 H     4.057493550     2.735608200    -0.372305770 
H38 H     3.786815710     2.834929670    -0.439506130 

#END
data_-160.610_g26a_fchk_5_13551_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,-z
_cell_length_a 126.912
_cell_length_b 4.4835
_cell_length_c 5.4012
_cell_angle_alpha 90.0
_cell_angle_beta 46.5996
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.016968750     0.509000020     0.966338800 
C2 C     0.028173730     0.336824460     0.937750010 
C3 C     0.037374520     0.538241740     0.955611210 
C4 C     0.048618400     0.368160930     0.927248180 
C5 C     0.057824250     0.569461310     0.944885780 
C6 C     0.069070310     0.398922160     0.916126000 
C7 C     0.078304280     0.599725650     0.933252550 
C8 C     0.089559260     0.428554820     0.903666740 
C9 C     0.098838620     0.628707330     0.919860050 
C10 C     0.110114920     0.456735860     0.888841420 
C11 C     0.119453020     0.656243300     0.903624050 
C12 C     0.130770050     0.483418040     0.870404620 
C13 C     0.140125000     0.682743370     0.884539320 
C14 C     0.151379790     0.505101380     0.850065810 
C15 C     0.173362880     0.804152810     0.566794110 
C16 C     0.194460820     1.109067710     0.376012110 
C17 C     0.198776270     1.300437520     0.498203850 
C18 C     0.211666290     1.457515670     0.276725690 
C19 C     0.220680360     1.427639410    -0.075366040 
C20 C     0.216476340     1.237536240    -0.198677170 
C21 C     0.203472390     1.079155590     0.024427930 
C22 C     0.242428520     1.574308210    -0.631918910 
N1 N     0.160486050     0.689452310     0.861074410 
N2 N     0.181147470     0.958396180     0.619059740 
O1 O     0.177265340     0.773217420     0.289306330 
O2 O     0.233171520     1.591881420    -0.273430220 
H1 H     0.010572710     0.360022590     0.952339910 
H2 H     0.009442670     0.629976740     1.208093450 
H3 H     0.022225710     0.672813580     0.761022260 
H4 H     0.035334110     0.211852190     0.697622920 
H5 H     0.022657590     0.169959330     1.141503540 
H6 H     0.042901940     0.705369280     0.751761520 
H7 H     0.030216530     0.663446250     1.195886310 
H8 H     0.055764260     0.242911420     0.687034850 
H9 H     0.043083280     0.201134450     1.131159360 
H10 H     0.063358030     0.736568870     0.741059080 
H11 H     0.050685170     0.694590100     1.185165350 
H12 H     0.076197320     0.273620460     0.675940340 
H13 H     0.063533860     0.231900400     1.120035580 
H14 H     0.083833580     0.766928110     0.729524580 
H15 H     0.071187700     0.724762790     1.173599870 
H16 H     0.096655540     0.303207840     0.663493690 
H17 H     0.084027110     0.261543300     1.107567720 
H18 H     0.104354220     0.796063960     0.716309520 
H19 H     0.091758740     0.753566750     1.160318880 
H20 H     0.117166100     0.331376370     0.648648670 
H21 H     0.104597780     0.289762080     1.092717870 
H22 H     0.124941600     0.823858050     0.700405910 
H23 H     0.112433740     0.780642990     1.144289500 
H24 H     0.137761530     0.358281010     0.629926520 
H25 H     0.125277200     0.316416160     1.074115540 
H26 H     0.145675530     0.850764790     0.681748020 
H27 H     0.133263600     0.803600750     1.126720490 
H28 H     0.158459350     0.380296360     0.610459000 
H29 H     0.145892340     0.344264170     1.057890350 
H30 H     0.157617990     0.715893370     1.085769970 
H31 H     0.176865190     0.969347200     0.859560580 
H32 H     0.191919520     1.326476370     0.770928440 
H33 H     0.214989860     1.605365860     0.371062780 
H34 H     0.223193310     1.209090720    -0.469519640 
H35 H     0.200274090     0.932264670    -0.072246020 
H36 H     0.251562520     1.720538710    -0.739625240 
H37 H     0.246408210     1.346601400    -0.725226820 
H38 H     0.236958830     1.651162020    -0.712130730 

#END
data_-160.316_g26a_fchk_15_1356_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 54.625
_cell_length_b 4.2387
_cell_length_c 19.1779
_cell_angle_alpha 90.0
_cell_angle_beta 91.9888
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.109358350     1.144355550     0.269090580 
C2 C     0.093163700     1.219094640     0.204523200 
C3 C     0.067262290     1.322505520     0.222262120 
C4 C     0.050912400     1.397834680     0.158026320 
C5 C     0.025013220     1.501036980     0.175737680 
C6 C     0.008689150     1.575936630     0.111417600 
C7 C    -0.017231340     1.678821090     0.128973800 
C8 C    -0.033520880     1.752862140     0.064535160 
C9 C    -0.059476330     1.855106020     0.081878090 
C10 C    -0.075727330     1.927707640     0.017281050 
C11 C    -0.101726380     2.028885390     0.034399350 
C12 C    -0.117946530     2.099344660    -0.030382210 
C13 C    -0.143948630     2.199936100    -0.013316320 
C14 C    -0.159838420     2.268445860    -0.078897200 
C15 C    -0.204410860     2.237273770    -0.101218730 
C16 C    -0.250233510     2.286309800    -0.110318340 
C17 C    -0.270338990     2.413838780    -0.076501680 
C18 C    -0.294093690     2.345631970    -0.098952930 
C19 C    -0.298482310     2.147066110    -0.156215330 
C20 C    -0.278597960     2.019882260    -0.190150660 
C21 C    -0.254629220     2.088279560    -0.167525590 
C22 C    -0.327821930     1.920418380    -0.236402110 
N1 N    -0.184731290     2.363350630    -0.064207740 
N2 N    -0.226658330     2.366976920    -0.083914630 
O1 O    -0.202095730     2.028590350    -0.144378040 
O2 O    -0.322543290     2.093493640    -0.174440680 
H1 H     0.127713170     1.070790620     0.254933330 
H2 H     0.111317940     1.350675310     0.303133220 
H3 H     0.101469440     0.954140300     0.299686590 
H4 H     0.092013270     1.011294230     0.170516080 
H5 H     0.101739860     1.405132050     0.174033340 
H6 H     0.058658490     1.136458620     0.252782520 
H7 H     0.068394540     1.530495340     0.256305210 
H8 H     0.049803850     1.189803330     0.124002580 
H9 H     0.059526240     1.583878720     0.127544660 
H10 H     0.016396180     1.315076530     0.206236060 
H11 H     0.026109200     1.709210180     0.209714910 
H12 H     0.007619610     1.367761580     0.077430940 
H13 H     0.017305600     1.761966350     0.080940500 
H14 H    -0.025846130     1.492930840     0.159499460 
H15 H    -0.016180920     1.887284420     0.162869400 
H16 H    -0.034526830     1.544414680     0.030618960 
H17 H    -0.024913160     1.938921920     0.034049380 
H18 H    -0.068075130     1.669289710     0.112464020 
H19 H    -0.058499370     2.064044330     0.115634490 
H20 H    -0.076640240     1.718815650    -0.016518590 
H21 H    -0.067150470     2.113879100    -0.013234970 
H22 H    -0.110291450     1.843195130     0.065095310 
H23 H    -0.100866330     2.238636780     0.067889530 
H24 H    -0.118733700     1.889561200    -0.063964650 
H25 H    -0.109411760     2.285553070    -0.060960140 
H26 H    -0.152669750     2.015311220     0.017283300 
H27 H    -0.143356410     2.412970970     0.018937230 
H28 H    -0.160849930     2.060485950    -0.112681220 
H29 H    -0.151673760     2.459346790    -0.108375170 
H30 H    -0.187168330     2.537403070    -0.029454430 
H31 H    -0.226351630     2.538392960    -0.047502520 
H32 H    -0.267296210     2.568707980    -0.031933650 
H33 H    -0.309607810     2.443874810    -0.072817710 
H34 H    -0.281333760     1.865522090    -0.234631920 
H35 H    -0.239312160     1.989450370    -0.193979340 
H36 H    -0.347700480     1.903603500    -0.241014060 
H37 H    -0.321022780     2.041466300    -0.282384130 
H38 H    -0.319986150     1.682497140    -0.233566690 

#END
data_-160.292_g26a_fchk_2_12622_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 26.5191
_cell_length_b 12.8502
_cell_length_c 4.6994
_cell_angle_alpha 128.0801
_cell_angle_beta 104.0907
_cell_angle_gamma 99.7205
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.164585680     0.485096520     0.146322380 
C2 C     0.213771570     0.479966330     0.029494040 
C3 C     0.249458110     0.416340070     0.135043350 
C4 C     0.298777830     0.410725240     0.019391590 
C5 C     0.334483680     0.347207040     0.125085060 
C6 C     0.383813180     0.341835800     0.009523900 
C7 C     0.419636210     0.278532950     0.115346820 
C8 C     0.468999280     0.273617340     0.000195970 
C9 C     0.505007240     0.210699580     0.106451810 
C10 C     0.554448430     0.206520770    -0.007788400 
C11 C     0.590689260     0.144181160     0.099385790 
C12 C     0.640278020     0.141063940    -0.013203360 
C13 C     0.676581600     0.079012180     0.094496110 
C14 C     0.725964450     0.077284480    -0.020071960 
C15 C     0.802174990     0.103590720     0.470732930 
C16 C     0.878482730     0.089192670     0.866646600 
C17 C     0.904921870    -0.001564650     0.829957310 
C18 C     0.948219190     0.042596800     1.164659120 
C19 C     0.966507700     0.179569070     1.548000200 
C20 C     0.940505320     0.270441340     1.586736620 
C21 C     0.896798330     0.225988710     1.249446250 
C22 C     1.031656500     0.354578460     2.249896270 
N1 N     0.761409340     0.019355720     0.080768540 
N2 N     0.834601670     0.035537110     0.510667540 
O1 O     0.808029890     0.225743860     0.751039370 
O2 O     1.009465790     0.213383520     1.859917980 
H1 H     0.139892340     0.531132450     0.068218400 
H2 H     0.135159470     0.376016690    -0.009027860 
H3 H     0.180631940     0.551641230     0.471679390 
H4 H     0.241755220     0.589947610     0.181026370 
H5 H     0.196661350     0.415451400    -0.295825680 
H6 H     0.266609920     0.480834570     0.460629600 
H7 H     0.221483370     0.306249810    -0.016485780 
H8 H     0.326703510     0.520831600     0.170848480 
H9 H     0.281593170     0.346215160    -0.306171410 
H10 H     0.351662880     0.411670110     0.450618830 
H11 H     0.306589430     0.237057410    -0.026543560 
H12 H     0.411661120     0.451999590     0.160954180 
H13 H     0.366622850     0.277330600    -0.316031200 
H14 H     0.436796710     0.342951290     0.440852770 
H15 H     0.391838770     0.168281470    -0.036467970 
H16 H     0.496719360     0.383886620     0.151646150 
H17 H     0.451826630     0.209100410    -0.325351780 
H18 H     0.522110910     0.275058850     0.431908060 
H19 H     0.477368230     0.100284620    -0.045687970 
H20 H     0.581979440     0.316957920     0.143770390 
H21 H     0.537337720     0.141959770    -0.333315070 
H22 H     0.607681150     0.208438030     0.424729930 
H23 H     0.563314900     0.033503630    -0.053433760 
H24 H     0.667550610     0.251826850     0.138947330 
H25 H     0.623266790     0.076505030    -0.338625400 
H26 H     0.693833790     0.142793430     0.419543230 
H27 H     0.649949650    -0.032576700    -0.062818040 
H28 H     0.753615350     0.187265970     0.131197710 
H29 H     0.708947230     0.009943420    -0.345480970 
H30 H     0.757947960    -0.080403320    -0.144923920 
H31 H     0.825991740    -0.065541000     0.257834370 
H32 H     0.891311480    -0.108351910     0.534593850 
H33 H     0.968588980    -0.027498770     1.136341120 
H34 H     0.953621750     0.377111640     1.878738740 
H35 H     0.876847510     0.296720040     1.280993690 
H36 H     1.064716280     0.358563940     2.450885780 
H37 H     1.050696600     0.439164630     2.256671110 
H38 H     0.998550740     0.374448120     2.353124730 

#END
data_-160.075_g26a_fchk_4_577_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 4.7206
_cell_length_b 4.2873
_cell_length_c 55.6584
_cell_angle_alpha 90.0
_cell_angle_beta 80.205
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.805883000     0.803720610     0.977256690 
C2 C     0.648262410     0.916149380     0.957016940 
C3 C     0.851153330     0.992060160     0.933241770 
C4 C     0.695595740     1.104750180     0.912875520 
C5 C     0.898365980     1.180839960     0.889109650 
C6 C     0.742346880     1.293780840     0.868777360 
C7 C     0.944634640     1.370420700     0.844998890 
C8 C     0.787968990     1.483931000     0.824724360 
C9 C     0.989617300     1.561529040     0.800933250 
C10 C     0.832119290     1.676086700     0.780742980 
C11 C     1.033118730     1.755054530     0.756950750 
C12 C     0.874711120     1.871301570     0.736868460 
C13 C     1.075513670     1.950811730     0.713096650 
C14 C     0.912344890     2.067150450     0.693308500 
C15 C     1.058266410     2.010747590     0.648925040 
C16 C     1.281899100     2.006797030     0.604624980 
C17 C     1.504312500     2.136896090     0.587652260 
C18 C     1.536329530     2.062899900     0.563144890 
C19 C     1.346109090     1.855354370     0.554831580 
C20 C     1.124875590     1.724758910     0.571593210 
C21 C     1.092196910     1.799384970     0.596314190 
C22 C     1.192060570     1.610512290     0.520808430 
N1 N     1.098340980     2.145981740     0.670505900 
N2 N     1.264142350     2.095581520     0.629217670 
O1 O     0.857081920     1.836141920     0.647632520 
O2 O     1.394968730     1.796946940     0.530325320 
H1 H     0.656126970     0.751687300     0.994014180 
H2 H     0.929325520     0.591782930     0.971782150 
H3 H     0.956672640     0.980613760     0.981569310 
H4 H     0.520746860     1.123740480     0.963194320 
H5 H     0.494222640     0.737836970     0.953436810 
H6 H     1.005450150     1.170538610     0.936802650 
H7 H     0.978902820     0.784405700     0.927044020 
H8 H     0.567795830     1.312258040     0.919094990 
H9 H     0.541392960     0.926168330     0.909325180 
H10 H     1.052650400     1.359360280     0.892654830 
H11 H     1.026059270     0.973348490     0.882870960 
H12 H     0.614481910     1.501103140     0.875036250 
H13 H     0.588147400     1.115188330     0.865230000 
H14 H     1.099012030     1.548843010     0.848544480 
H15 H     1.072263010     1.163084720     0.838706200 
H16 H     0.660034440     1.690971760     0.831049860 
H17 H     0.633782610     1.305382100     0.821168240 
H18 H     1.144141130     1.739725110     0.804491990 
H19 H     1.117112680     1.354445500     0.794552670 
H20 H     0.704132450     1.882739320     0.787168890 
H21 H     0.677980910     1.497687040     0.777155710 
H22 H     1.187886160     1.932813650     0.760537460 
H23 H     1.160235720     1.548369790     0.750424840 
H24 H     0.746870640     2.077605550     0.743446950 
H25 H     0.720557540     1.693218200     0.733242520 
H26 H     1.230750260     2.128869090     0.716507110 
H27 H     1.199442320     1.744504680     0.706133460 
H28 H     0.784949220     2.273709670     0.699616450 
H29 H     0.764360640     1.886751830     0.689254160 
H30 H     1.267784220     2.286531170     0.671066680 
H31 H     1.420804050     2.241296710     0.632455210 
H32 H     1.654299600     2.298523170     0.593765530 
H33 H     1.707849920     2.163502380     0.550046140 
H34 H     0.974004360     1.563275570     0.565787580 
H35 H     0.920819330     1.697594250     0.609207290 
H36 H     1.269694660     1.594187760     0.501277680 
H37 H     1.177506850     1.375794810     0.528732110 
H38 H     0.978138320     1.717726030     0.523944220 

#END
data_-159.999_g26a_fchk_15_425_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 48.4203
_cell_length_b 4.6718
_cell_length_c 20.69
_cell_angle_alpha 90.0
_cell_angle_beta 69.8024
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.089127510     0.610046240     0.559362990 
C2 C     0.113147690     0.423526690     0.509792400 
C3 C     0.131110430     0.580356120     0.443673620 
C4 C     0.155200210     0.395623900     0.393731290 
C5 C     0.173150200     0.552278820     0.327609110 
C6 C     0.197207600     0.367035560     0.277715090 
C7 C     0.215168420     0.523048830     0.211506870 
C8 C     0.239161620     0.337011730     0.161668020 
C9 C     0.257124470     0.492092220     0.095319710 
C10 C     0.281013230     0.304920420     0.045524560 
C11 C     0.298951550     0.458911820    -0.021002090 
C12 C     0.322689900     0.270304620    -0.070799290 
C13 C     0.340593050     0.423921360    -0.137358370 
C14 C     0.364144900     0.230938680    -0.186396420 
C15 C     0.403108190     0.564345980    -0.251894470 
C16 C     0.439424220     0.891658380    -0.335208760 
C17 C     0.450116440     0.977951520    -0.404404680 
C18 C     0.472955420     1.172459640    -0.427941510 
C19 C     0.485839720     1.287293860    -0.382760200 
C20 C     0.475301670     1.202931240    -0.313909730 
C21 C     0.452282900     1.006588590    -0.290113660 
C22 C     0.522901900     1.588112270    -0.367528560 
N1 N     0.381439000     0.371300320    -0.250345360 
N2 N     0.416181240     0.691939280    -0.315601240 
O1 O     0.410032270     0.612847280    -0.201531350 
O2 O     0.508256010     1.477489430    -0.410792390 
H1 H     0.076628580     0.492788390     0.606029600 
H2 H     0.098585020     0.799265810     0.574975860 
H3 H     0.073580810     0.684737490     0.535219660 
H4 H     0.103169700     0.232193830     0.496365690 
H5 H     0.128016110     0.346422230     0.535710890 
H6 H     0.116250140     0.657634850     0.417682200 
H7 H     0.141106260     0.771924780     0.457060220 
H8 H     0.145186350     0.204063520     0.380410900 
H9 H     0.170049150     0.318469440     0.419754660 
H10 H     0.158306610     0.629529930     0.301581390 
H11 H     0.183188570     0.743734150     0.340894030 
H12 H     0.187157490     0.175485390     0.264501820 
H13 H     0.212053420     0.289888190     0.303745710 
H14 H     0.200324760     0.600420540     0.185490600 
H15 H     0.225264590     0.714384610     0.224666130 
H16 H     0.229047880     0.145504250     0.148629370 
H17 H     0.254015460     0.259859990     0.187674550 
H18 H     0.242268990     0.569680750     0.069356520 
H19 H     0.267315630     0.683208570     0.108275630 
H20 H     0.270800750     0.113512450     0.032741550 
H21 H     0.295895760     0.227756550     0.071446190 
H22 H     0.284071550     0.536883360    -0.046856040 
H23 H     0.309305370     0.649526830    -0.008372980 
H24 H     0.312312140     0.079167750    -0.083239110 
H25 H     0.337605960     0.193009850    -0.044999400 
H26 H     0.325887500     0.502202400    -0.163619950 
H27 H     0.351528070     0.611445760    -0.125504880 
H28 H     0.354050350     0.040097610    -0.199420360 
H29 H     0.379429940     0.160102570    -0.161346440 
H30 H     0.375995900     0.337787270    -0.292474300 
H31 H     0.408645060     0.635512580    -0.353498420 
H32 H     0.440378990     0.891165900    -0.440278200 
H33 H     0.481219430     1.238868160    -0.481354420 
H34 H     0.484754810     1.287635330    -0.277563970 
H35 H     0.444200810     0.942159630    -0.236800750 
H36 H     0.539782050     1.732090890    -0.399539750 
H37 H     0.507828600     1.708148680    -0.324104500 
H38 H     0.533339290     1.417526140    -0.347717460 

#END
data_-159.835_g26a_fchk_33_7426_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 8.8322
_cell_length_b 4.6095
_cell_length_c 54.5391
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.170427120     0.140743680     0.537298810 
C2 C     0.108672790    -0.031582700     0.515513200 
C3 C     0.059201600     0.161262790     0.494114760 
C4 C    -0.002757320    -0.009035700     0.472225910 
C5 C    -0.052309710     0.183686670     0.450836520 
C6 C    -0.114370030     0.012928600     0.428978280 
C7 C    -0.164189130     0.205140470     0.407573570 
C8 C    -0.226492470     0.033737210     0.385769780 
C9 C    -0.276774150     0.225268030     0.364350190 
C10 C    -0.339538020     0.053030020     0.342628350 
C11 C    -0.390476230     0.243864180     0.321207820 
C12 C    -0.453999970     0.070706270     0.299594790 
C13 C    -0.505189480     0.261335070     0.278195790 
C14 C    -0.568576210     0.083478890     0.256827160 
C15 C    -0.555104110     0.226181920     0.213400370 
C16 C    -0.570533390     0.442773240     0.171215610 
C17 C    -0.646071900     0.652847410     0.157184320 
C18 C    -0.615679260     0.686374870     0.132461970 
C19 C    -0.508213590     0.510136190     0.120971700 
C20 C    -0.432521770     0.301250470     0.134802580 
C21 C    -0.463154950     0.267046400     0.159735220 
C22 C    -0.380664460     0.380622190     0.084027760 
N1 N    -0.618848880     0.259548440     0.236238190 
N2 N    -0.608696420     0.422415020     0.196249030 
O1 O    -0.461698430     0.037963300     0.209005090 
O2 O    -0.486107010     0.559352920     0.096511120 
H1 H     0.204655530    -0.002071430     0.552310950 
H2 H     0.269250000     0.269324700     0.531968140 
H3 H     0.085144320     0.290841870     0.544436670 
H4 H     0.012309500    -0.163853620     0.521486960 
H5 H     0.195003010    -0.184602980     0.509074670 
H6 H    -0.027220270     0.314530450     0.500537630 
H7 H     0.155584000     0.293763470     0.488122640 
H8 H    -0.099058580    -0.141573520     0.478238710 
H9 H     0.083718290    -0.162200260     0.465814260 
H10 H    -0.138758700     0.336933400     0.457243530 
H11 H     0.043976180     0.316107030     0.444803020 
H12 H    -0.210563240    -0.119652000     0.435029360 
H13 H    -0.027887970    -0.140230940     0.422569630 
H14 H    -0.250591500     0.358484410     0.413981510 
H15 H    -0.068001860     0.337465860     0.401485280 
H16 H    -0.322519030    -0.098875640     0.391886220 
H17 H    -0.140035560    -0.119414280     0.379352630 
H18 H    -0.363062710     0.378772830     0.370771930 
H19 H    -0.180746760     0.357411140     0.358172380 
H20 H    -0.435331470    -0.079579050     0.348844140 
H21 H    -0.253167710    -0.100091180     0.336180920 
H22 H    -0.476543460     0.397641060     0.327658380 
H23 H    -0.294702560     0.375545600     0.314880020 
H24 H    -0.549558310    -0.061674580     0.305965510 
H25 H    -0.367799780    -0.082456850     0.293109610 
H26 H    -0.591484480     0.415498790     0.284474210 
H27 H    -0.409759550     0.389570210     0.271388270 
H28 H    -0.664383240    -0.048581960     0.262929290 
H29 H    -0.481511620    -0.063557530     0.249964830 
H30 H    -0.694456990     0.418514550     0.239387920 
H31 H    -0.685786670     0.568613060     0.201967940 
H32 H    -0.729902020     0.791889380     0.165789460 
H33 H    -0.674066400     0.848355040     0.121631950 
H34 H    -0.348672170     0.161366400     0.126499600 
H35 H    -0.404232960     0.105267550     0.170354860 
H36 H    -0.380736300     0.454102060     0.065055960 
H37 H    -0.266395790     0.403469660     0.091629580 
H38 H    -0.414072220     0.151726210     0.084686520 

#END
data_-159.812_g26a_fchk_14_12898_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 10.3151
_cell_length_b 49.6511
_cell_length_c 9.98
_cell_angle_alpha 90.0
_cell_angle_beta 153.9115
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.549316440     0.920334500     0.021494990 
C2 C     0.356843130     0.939629730    -0.075762980 
C3 C     0.531958360     0.962653730     0.150581950 
C4 C     0.341433610     0.982072390     0.055391350 
C5 C     0.516444900     1.005082520     0.281701890 
C6 C     0.325504540     1.024460140     0.186186410 
C7 C     0.500013870     1.047471790     0.412288330 
C8 C     0.308515550     1.066775860     0.316414340 
C9 C     0.482374460     1.089779720     0.542341710 
C10 C     0.290185130     1.108971070     0.446145790 
C11 C     0.463417270     1.131945050     0.672072650 
C12 C     0.270518150     1.150983230     0.575766980 
C13 C     0.443598230     1.173923000     0.801749030 
C14 C     0.246230590     1.192657400     0.700981700 
C15 C     0.458590420     1.238261840     0.894321840 
C16 C     0.716094820     1.282532690     1.166983300 
C17 C     0.912486250     1.296170470     1.434090520 
C18 C     1.008525410     1.321929100     1.493437310 
C19 C     0.910784160     1.334883630     1.286574410 
C20 C     0.716017970     1.321443870     1.020921460 
C21 C     0.618790100     1.295471120     0.960663380 
C22 C     0.934948690     1.373652360     1.168438430 
N1 N     0.405467680     1.214617440     0.912655810 
N2 N     0.628570140     1.256393700     1.123823890 
O1 O     0.360295080     1.242553960     0.691204280 
O2 O     1.017641080     1.360290050     1.364967790 
H1 H     0.418926310     0.904088430    -0.143746260 
H2 H     0.661110410     0.930919690     0.043605260 
H3 H     0.719346470     0.911130580     0.242216400 
H4 H     0.241796920     0.928409220    -0.103688340 
H5 H     0.184569250     0.948094740    -0.300220410 
H6 H     0.704474190     0.954204640     0.375356690 
H7 H     0.647212440     0.973896890     0.178700620 
H8 H     0.226156980     0.970809720     0.027158590 
H9 H     0.169028800     0.990512490    -0.169341460 
H10 H     0.688923990     0.996649180     0.506484480 
H11 H     0.631580260     1.016365570     0.309842560 
H12 H     0.210217350     1.013160040     0.157807410 
H13 H     0.153107590     1.032897310    -0.038548220 
H14 H     0.672586690     1.039040120     0.637114790 
H15 H     0.615000050     1.058808850     0.440440160 
H16 H     0.193253640     1.055411640     0.287840540 
H17 H     0.136119630     1.075221300     0.091712000 
H18 H     0.655112550     1.081339090     0.767204530 
H19 H     0.597089380     1.101204820     0.570485700 
H20 H     0.175017300     1.097509180     0.417344040 
H21 H     0.117794090     1.117446020     0.221556940 
H22 H     0.636438020     1.123484410     0.896968610 
H23 H     0.577518330     1.143516550     0.700046000 
H24 H     0.155736610     1.139366600     0.546939220 
H25 H     0.098060160     1.159491910     0.351307000 
H26 H     0.616832230     1.165641960     1.027229840 
H27 H     0.553692650     1.185959780     0.826910910 
H28 H     0.131482950     1.181322010     0.672701910 
H29 H     0.079407250     1.201662530     0.481326140 
H30 H     0.491831330     1.211529540     1.084408120 
H31 H     0.697841400     1.250659990     1.279701060 
H32 H     0.990962330     1.286431130     1.597599580 
H33 H     1.159910200     1.332459040     1.699469670 
H34 H     0.636132290     1.330867490     0.856083360 
H35 H     0.468271100     1.285156750     0.754935240 
H36 H     1.041046090     1.393308470     1.270458210 
H37 H     1.011299950     1.362727950     1.150399140 
H38 H     0.695492220     1.376347350     0.939973550 

#END
data_-159.773_g26a_fchk_14_11052_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 25.7269
_cell_length_b 9.7222
_cell_length_c 8.7173
_cell_angle_alpha 90.0
_cell_angle_beta 91.1604
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.758638200     0.407122560     0.218073740 
C2 C     0.726291250     0.340294730     0.089133070 
C3 C     0.672980350     0.407664630     0.064858040 
C4 C     0.640310970     0.341565050    -0.063889510 
C5 C     0.587001820     0.408833210    -0.088128150 
C6 C     0.554381170     0.342474080    -0.216830480 
C7 C     0.501023660     0.409430780    -0.241190580 
C8 C     0.468463780     0.342634160    -0.369738180 
C9 C     0.415024650     0.409106610    -0.394194350 
C10 C     0.382525270     0.341644690    -0.522433380 
C11 C     0.328979660     0.407497440    -0.546852630 
C12 C     0.296513800     0.339132740    -0.674570840 
C13 C     0.242953100     0.404740660    -0.698855970 
C14 C     0.211163550     0.334488020    -0.826870780 
C15 C     0.119474900     0.361859870    -0.757683190 
C16 C     0.024291160     0.411341920    -0.730296280 
C17 C    -0.017554340     0.484605510    -0.795896290 
C18 C    -0.066237380     0.481377620    -0.731432220 
C19 C    -0.074597760     0.404320890    -0.598840450 
C20 C    -0.033228740     0.331077990    -0.533150310 
C21 C     0.015904190     0.334332700    -0.597981620 
C22 C    -0.138477950     0.302639540    -0.440095090 
N1 N     0.159883750     0.394458660    -0.852014780 
N2 N     0.072605930     0.420653350    -0.802970420 
O1 O     0.125361820     0.289150720    -0.644459830 
O2 O    -0.123952490     0.407586760    -0.543668990 
H1 H     0.796429380     0.356954050     0.233069120 
H2 H     0.765654740     0.515954690     0.194021400 
H3 H     0.738636820     0.401091650     0.327473900 
H4 H     0.720961200     0.230733260     0.114169630 
H5 H     0.747678260     0.344978240    -0.018265190 
H6 H     0.651534440     0.403035680     0.172290620 
H7 H     0.678274580     0.517341770     0.039796470 
H8 H     0.635066000     0.231894150    -0.038773100 
H9 H     0.661777650     0.346246030    -0.171259710 
H10 H     0.565529500     0.404202410     0.019234610 
H11 H     0.592222960     0.518481700    -0.113369700 
H12 H     0.549215970     0.232799510    -0.191589000 
H13 H     0.575853100     0.347156530    -0.324187600 
H14 H     0.479556900     0.404859530    -0.133812350 
H15 H     0.506153990     0.519062120    -0.266678140 
H16 H     0.463427920     0.232957380    -0.344264500 
H17 H     0.489917810     0.347316260    -0.477123090 
H18 H     0.393592180     0.404638710    -0.286747280 
H19 H     0.420008680     0.518701120    -0.420092270 
H20 H     0.377677800     0.231971400    -0.496583710 
H21 H     0.403916190     0.346327780    -0.629917840 
H22 H     0.307619290     0.403213640    -0.439274410 
H23 H     0.333732330     0.516983760    -0.573489270 
H24 H     0.291915710     0.229468760    -0.648021080 
H25 H     0.317817020     0.343753450    -0.782179410 
H26 H     0.221280720     0.400689590    -0.591879630 
H27 H     0.247204860     0.513461310    -0.728610680 
H28 H     0.206122170     0.225149380    -0.801383630 
H29 H     0.231746320     0.342247860    -0.934756020 
H30 H     0.153769740     0.453513170    -0.945433140 
H31 H     0.072348540     0.478839280    -0.898616090 
H32 H    -0.011821210     0.545017360    -0.898956220 
H33 H    -0.098517110     0.538006230    -0.782003970 
H34 H    -0.038341680     0.270374550    -0.430617300 
H35 H     0.047766800     0.277434030    -0.546777730 
H36 H    -0.178530410     0.324430860    -0.410223490 
H37 H    -0.136461260     0.200602550    -0.493135510 
H38 H    -0.113986330     0.303780710    -0.335734360 

#END
data_-159.658_g26a_fchk_14_13082_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 5.4365
_cell_length_b 8.8385
_cell_length_c 75.9005
_cell_angle_alpha 90.0
_cell_angle_beta 142.3308
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.745766860     0.528716400     0.364525170 
C2 C     0.671617010     0.623181410     0.343747490 
C3 C     0.615125720     0.526905140     0.323963800 
C4 C     0.540752510     0.620332630     0.303092570 
C5 C     0.484508270     0.524128210     0.283323640 
C6 C     0.410578920     0.617804940     0.262491070 
C7 C     0.354736320     0.521890010     0.242720410 
C8 C     0.281756070     0.615926490     0.221961260 
C9 C     0.226736500     0.520407960     0.202201310 
C10 C     0.155411720     0.614923970     0.181559260 
C11 C     0.101769050     0.519828610     0.161837790 
C12 C     0.032994840     0.614897400     0.141361450 
C13 C    -0.019920540     0.519933000     0.121679160 
C14 C    -0.087379200     0.617437310     0.101446990 
C15 C    -0.502499960     0.466595800     0.057598240 
C16 C    -0.813533830     0.302310290     0.016645180 
C17 C    -0.719262070     0.204948040     0.007985940 
C18 C    -1.016911500     0.125664170    -0.017679100 
C19 C    -1.419770670     0.141328510    -0.035536950 
C20 C    -1.515688920     0.237668840    -0.027054190 
C21 C    -1.215804290     0.317796930    -0.001184530 
C22 C    -2.096228530     0.056373360    -0.077393950 
N1 N    -0.136851590     0.529976040     0.082547990 
N2 N    -0.492305080     0.379152500     0.043046160 
O1 O    -0.804347540     0.488271850     0.049306920 
O2 O    -1.691921950     0.058548930    -0.060435720 
H1 H     0.785607390     0.600210600     0.378407270 
H2 H     0.492916670     0.452504070     0.352765450 
H3 H     1.016140180     0.459030300     0.378448540 
H4 H     0.924234730     0.701102700     0.356047170 
H5 H     0.404745660     0.694312120     0.330519740 
H6 H     0.882091530     0.455653990     0.337181030 
H7 H     0.362329490     0.448862090     0.311643430 
H8 H     0.793545900     0.698388100     0.315430460 
H9 H     0.273777550     0.691525610     0.289884680 
H10 H     0.751392200     0.452889910     0.296524980 
H11 H     0.231553090     0.446134410     0.270963400 
H12 H     0.663464310     0.695873920     0.274864220 
H13 H     0.143616740     0.688994830     0.249286120 
H14 H     0.621535560     0.450596900     0.255920150 
H15 H     0.101506650     0.443952750     0.230305520 
H16 H     0.534842850     0.693998970     0.234395920 
H17 H     0.014775810     0.687114230     0.208748540 
H18 H     0.493421940     0.449021170     0.215409610 
H19 H    -0.026947390     0.442577050     0.189696950 
H20 H     0.408855610     0.692976280     0.194088880 
H21 H    -0.111639140     0.686102990     0.168318710 
H22 H     0.368246100     0.448280880     0.175064780 
H23 H    -0.152725130     0.442255720     0.149182080 
H24 H     0.287307650     0.692814850     0.154048230 
H25 H    -0.234014280     0.686112750     0.128089910 
H26 H     0.245589530     0.448199460     0.134731770 
H27 H    -0.278274640     0.444164180     0.108502040 
H28 H     0.165154500     0.695202110     0.113853780 
H29 H    -0.358946660     0.685376820     0.087725480 
H30 H     0.107789380     0.508886640     0.088999950 
H31 H    -0.225672540     0.369137890     0.051948860 
H32 H    -0.407948160     0.191254490     0.021578690 
H33 H    -0.944145410     0.050619880    -0.024369290 
H34 H    -1.824215690     0.252384140    -0.040344970 
H35 H    -1.291550810     0.392104030     0.005286840 
H36 H    -2.260302360    -0.014331240    -0.095991040 
H37 H    -2.120442150     0.007413840    -0.065540050 
H38 H    -2.227690310     0.170123840    -0.084769960 

#END
data_-159.484_g26a_fchk_2_3188_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 25.7053
_cell_length_b 10.6055
_cell_length_c 4.667
_cell_angle_alpha 108.5464
_cell_angle_beta 81.3643
_cell_angle_gamma 113.8951
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.838306320     0.151966840     0.366543980 
C2 C     0.789629050     0.049558850     0.150870280 
C3 C     0.751837960    -0.084983480     0.248234630 
C4 C     0.703008750    -0.188143320     0.033968050 
C5 C     0.665240990    -0.322697390     0.131130380 
C6 C     0.616474770    -0.425767330    -0.083639320 
C7 C     0.578679810    -0.560508880     0.012776280 
C8 C     0.530036150    -0.663483930    -0.202825720 
C9 C     0.492226330    -0.798532450    -0.107539420 
C10 C     0.443779240    -0.901448690    -0.324400750 
C11 C     0.406001520    -1.036892110    -0.230498650 
C12 C     0.357833660    -1.139858840    -0.449062860 
C13 C     0.320119010    -1.275382090    -0.355642200 
C14 C     0.272343280    -1.376830570    -0.577885780 
C15 C     0.195765050    -1.503749660    -0.265209330 
C16 C     0.122893630    -1.669019200     0.011933150 
C17 C     0.098781470    -1.812010950     0.023748360 
C18 C     0.054951790    -1.854936560     0.226920580 
C19 C     0.033837160    -1.755655390     0.425560750 
C20 C     0.057643670    -1.613337720     0.415488690 
C21 C     0.101822120    -1.569922760     0.210510600 
C22 C    -0.033221680    -1.711956230     0.816914340 
N1 N     0.235919920    -1.507106480    -0.495258900 
N2 N     0.167226300    -1.634536110    -0.202482930 
O1 O     0.186417560    -1.395118080    -0.134268030 
O2 O    -0.009486750    -1.808207730     0.617600790 
H1 H     0.864631270     0.246884060     0.291507590 
H2 H     0.821965750     0.189063640     0.594645000 
H3 H     0.865980370     0.098754540     0.382402820 
H4 H     0.807087150     0.016961050    -0.077230310 
H5 H     0.763340390     0.106366530     0.133878380 
H6 H     0.778106860    -0.141941820     0.265315520 
H7 H     0.734344190    -0.052464300     0.476547720 
H8 H     0.720540730    -0.220525830    -0.194275980 
H9 H     0.676763490    -0.131118140     0.017037200 
H10 H     0.691476110    -0.379729580     0.148161670 
H11 H     0.647660520    -0.290386390     0.359261070 
H12 H     0.634081870    -0.457930120    -0.311786810 
H13 H     0.590235850    -0.368727310    -0.100558300 
H14 H     0.604916030    -0.617515460     0.029944730 
H15 H     0.560982360    -0.528453930     0.240711040 
H16 H     0.547774230    -0.695289160    -0.430797210 
H17 H     0.503780590    -0.606493390    -0.219768730 
H18 H     0.518488640    -0.855426470    -0.090099350 
H19 H     0.474336840    -0.766891850     0.120054600 
H20 H     0.461719700    -0.932731120    -0.552086790 
H21 H     0.417464250    -0.844632340    -0.341424470 
H22 H     0.432317810    -1.093555300    -0.212563710 
H23 H     0.387784430    -1.005917230    -0.003585330 
H24 H     0.376107310    -1.170444050    -0.676282080 
H25 H     0.331447450    -1.083295060    -0.466329430 
H26 H     0.346081680    -1.332870130    -0.337662100 
H27 H     0.300754960    -1.245971740    -0.131930880 
H28 H     0.290047620    -1.408593120    -0.805133160 
H29 H     0.245227270    -1.321705480    -0.589053360 
H30 H     0.243104890    -1.597827440    -0.597077520 
H31 H     0.178560910    -1.716982960    -0.325142070 
H32 H     0.114632830    -1.890690280    -0.128704830 
H33 H     0.036318940    -1.965314470     0.235854960 
H34 H     0.042349940    -1.533740370     0.565997480 
H35 H     0.120112440    -1.459695450     0.203746860 
H36 H    -0.066660550    -1.774662140     0.946786950 
H37 H    -0.001448640    -1.622534820     0.971585780 
H38 H    -0.051766260    -1.668692240     0.692919800 

#END
data_-159.296_g26a_fchk_2_383_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 27.3404
_cell_length_b 4.7839
_cell_length_c 22.9171
_cell_angle_alpha 108.9878
_cell_angle_beta 22.9758
_cell_angle_gamma 107.7373
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.266031770     0.588730650     0.439586750 
C2 C     0.311995650     0.844955690     0.444841230 
C3 C     0.406675330     0.750322320     0.380742950 
C4 C     0.453246160     1.005041160     0.385478160 
C5 C     0.547839800     0.910488420     0.321493300 
C6 C     0.594183580     1.165519830     0.326484670 
C7 C     0.688671860     1.071521440     0.262742130 
C8 C     0.734608120     1.326944590     0.268209040 
C9 C     0.828889670     1.233663470     0.204890960 
C10 C     0.874191650     1.489546690     0.211124460 
C11 C     0.968128180     1.396941340     0.148429890 
C12 C     1.012552180     1.653256610     0.155764980 
C13 C     1.106271710     1.560759880     0.093370750 
C14 C     1.149132690     1.820545830     0.102187950 
C15 C     1.197420710     1.611429910     0.131366620 
C16 C     1.284164850     1.432157900     0.119247710 
C17 C     1.396459880     1.382661560     0.022607170 
C18 C     1.396311910     1.253019400     0.068640710 
C19 C     1.283304060     1.168761450     0.213458420 
C20 C     1.171338540     1.217677420     0.310198590 
C21 C     1.171359420     1.348199430     0.263870800 
C22 C     1.180054410     0.975554700     0.398060340 
N1 N     1.237982910     1.738580210     0.044176970 
N2 N     1.292775380     1.564351120     0.063196090 
O1 O     1.087630120     1.545099970     0.255911750 
O2 O     1.292697140     1.042341320     0.248540470 
H1 H     0.198481570     0.662318520     0.486185130 
H2 H     0.344050770     0.487179960     0.323791650 
H3 H     0.220464810     0.416179400     0.504183590 
H4 H     0.231781980     0.947328640     0.561454630 
H5 H     0.354661510     1.017372710     0.382216170 
H6 H     0.364069830     0.577734920     0.443346420 
H7 H     0.487002850     0.647806160     0.264015970 
H8 H     0.372859070     1.107505830     0.502216200 
H9 H     0.495838570     1.177482710     0.322852540 
H10 H     0.505287910     0.737987480     0.384069240 
H11 H     0.628293630     0.808222570     0.204718870 
H12 H     0.513672500     1.267864670     0.443271670 
H13 H     0.636766440     1.337943960     0.263863100 
H14 H     0.646146750     0.898923260     0.325268650 
H15 H     0.769306100     0.969575980     0.145880210 
H16 H     0.653883330     1.429045980     0.385086630 
H17 H     0.777217890     1.499396730     0.205577710 
H18 H     0.786371740     1.060852920     0.267347460 
H19 H     0.909815780     1.132267340     0.087889720 
H20 H     0.793140580     1.591227820     0.328146560 
H21 H     0.916898600     1.662097030     0.148455890 
H22 H     0.925610740     1.223748430     0.210763570 
H23 H     1.049529410     1.296614820     0.031210420 
H24 H     0.930968540     1.754070810     0.273075110 
H25 H     1.055345420     1.826006010     0.093111670 
H26 H     1.064439010     1.387917590     0.155251320 
H27 H     1.189134410     1.465733540    -0.024580750 
H28 H     1.068624790     1.922177270     0.218755650 
H29 H     1.194627950     1.989004150     0.036599560 
H30 H     1.328881750     1.793613570    -0.057448200 
H31 H     1.380015500     1.628299220    -0.039987470 
H32 H     1.485196110     1.446731460    -0.090311500 
H33 H     1.482986030     1.214630620    -0.005991120 
H34 H     1.082242650     1.155320000     0.422994580 
H35 H     1.084495240     1.385711840     0.339159250 
H36 H     1.208158170     0.876847350     0.401707080 
H37 H     1.126124100     1.175225870     0.479599410 
H38 H     1.121248830     0.817422290     0.427676600 

#END
data_-158.766_g26a_fchk_19_6499_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 53.3767
_cell_length_b 8.7315
_cell_length_c 4.7564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.840845640     0.520273040    -0.047659140 
C2 C     0.863223840     0.425328950    -0.147650730 
C3 C     0.883371340     0.521463020    -0.293618760 
C4 C     0.905841180     0.427556780    -0.394458980 
C5 C     0.925979190     0.523608250    -0.540542880 
C6 C     0.948419220     0.429435020    -0.641452320 
C7 C     0.968572480     0.525173740    -0.787938730 
C8 C     0.990957800     0.430602110    -0.889117400 
C9 C     1.011124520     0.525900560    -1.036329400 
C10 C     1.033425650     0.430780740    -1.138110990 
C11 C     1.053589480     0.525587800    -1.286384830 
C12 C     1.075776090     0.429807760    -1.389271750 
C13 C     1.095916210     0.524451890    -1.537943140 
C14 C     1.117881250     0.426198210    -1.639470870 
C15 C     1.160389150     0.534720700    -1.661055550 
C16 C     1.201068100     0.669679770    -1.756355550 
C17 C     1.212219920     0.780937990    -1.928494660 
C18 C     1.236661510     0.827848350    -1.884305500 
C19 C     1.250752460     0.764699290    -1.665426050 
C20 C     1.239785740     0.654279700    -1.493228190 
C21 C     1.215141820     0.606771360    -1.537705320 
C22 C     1.289975660     0.752577310    -1.426551030 
N1 N     1.137286960     0.513259850    -1.782987640 
N2 N     1.176125410     0.628083270    -1.816576510 
O1 O     1.166174670     0.474679090    -1.438499230 
O2 O     1.274706810     0.818195150    -1.638583060 
H1 H     0.826746330     0.448845520     0.055291100 
H2 H     0.846718820     0.608128120     0.102618240 
H3 H     0.831780690     0.578622610    -0.224053070 
H4 H     0.856745050     0.335868050    -0.292170990 
H5 H     0.871605400     0.365470530     0.031844660 
H6 H     0.875003300     0.581435600    -0.473341600 
H7 H     0.889867780     0.611051980    -0.149124080 
H8 H     0.899324850     0.337958740    -0.538780140 
H9 H     0.914197880     0.367644920    -0.214647550 
H10 H     0.917627090     0.583569300    -0.720325770 
H11 H     0.932517040     0.613148680    -0.396246820 
H12 H     0.941865440     0.339825100    -0.785533660 
H13 H     0.956772900     0.369526150    -0.461627310 
H14 H     0.960219450     0.585194110    -0.967654370 
H15 H     0.975165440     0.614661680    -0.643854800 
H16 H     0.984339630     0.340989430    -1.032829330 
H17 H     0.999319800     0.370694910    -0.709347470 
H18 H     1.002757900     0.586022760    -1.215855840 
H19 H     1.017807680     0.615288940    -0.892584800 
H20 H     1.026709110     0.341187110    -1.281308020 
H21 H     1.041817280     0.370880850    -0.958532160 
H22 H     1.045194640     0.585886390    -1.465533790 
H23 H     1.060424770     0.614731450    -1.143153600 
H24 H     1.068903440     0.340332990    -1.531940660 
H25 H     1.084204360     0.369863360    -1.210029000 
H26 H     1.087691730     0.584956100    -1.717738490 
H27 H     1.103254180     0.611888590    -1.395134600 
H28 H     1.111277200     0.336919090    -1.782901340 
H29 H     1.126670010     0.369706050    -1.460161340 
H30 H     1.132950700     0.565455910    -1.965196500 
H31 H     1.169322350     0.671491890    -1.997373440 
H32 H     1.201566650     0.831368080    -2.099554460 
H33 H     1.245271340     0.913625410    -2.017299830 
H34 H     1.250146450     0.603111610    -1.321929790 
H35 H     1.206741170     0.521391230    -1.403815830 
H36 H     1.308026640     0.810044100    -1.441756940 
H37 H     1.282110570     0.771473650    -1.216507450 
H38 H     1.292580540     0.629377100    -1.459834510 

#END
data_-158.630_g26a_fchk_18_5201_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 1/2-x,1/2+y,-z
4 -x,-y,+z
_cell_length_a 94.9383
_cell_length_b 5.2653
_cell_length_c 4.4623
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.516062950     0.765021210     0.958388510 
C2 C     0.526116750     0.929558760     0.773775230 
C3 C     0.536877890     1.072136130     0.966007740 
C4 C     0.546986300     1.237303530     0.783454110 
C5 C     0.557740090     1.379984820     0.975565000 
C6 C     0.567828210     1.545225470     0.792551080 
C7 C     0.578582490     1.688382360     0.984135850 
C8 C     0.588633130     1.853853420     0.800482640 
C9 C     0.599382120     1.997799810     0.991370380 
C10 C     0.609374050     2.163769520     0.806898130 
C11 C     0.620104920     2.308775700     0.997082900 
C12 C     0.630015230     2.475645380     0.811721450 
C13 C     0.640727200     2.620991870     1.001708770 
C14 C     0.650499130     2.786928190     0.811585990 
C15 C     0.673169820     2.816923440     1.076659010 
C16 C     0.694715680     2.919215710     1.380183700 
C17 C     0.700191560     3.094085290     1.586844950 
C18 C     0.713257610     3.057293450     1.717069240 
C19 C     0.721277060     2.843365340     1.644396580 
C20 C     0.715895830     2.668569100     1.439616070 
C21 C     0.702723580     2.705550290     1.307920140 
C22 C     0.742438050     2.607908620     1.719494200 
N1 N     0.660766470     2.928434710     0.986826140 
N2 N     0.681351630     2.971664950     1.257344450 
O1 O     0.676511520     2.602873630     0.999050820 
O2 O     0.734042810     2.823679450     1.784298920 
H1 H     0.508488470     0.665786140     0.815771660 
H2 H     0.521841080     0.621713260     1.086610540 
H3 H     0.510104400     0.880379100     1.118222580 
H4 H     0.520044610     1.067012480     0.641925340 
H5 H     0.531713890     0.810446160     0.611163150 
H6 H     0.531287320     1.191441850     1.128871620 
H7 H     0.542961030     0.934705630     1.098087380 
H8 H     0.540893910     1.374542240     0.651341920 
H9 H     0.552572300     1.117877820     0.620699570 
H10 H     0.552157480     1.499381340     1.138401940 
H11 H     0.563843270     1.242832710     1.107548470 
H12 H     0.561717580     1.682176820     0.660406490 
H13 H     0.573412750     1.425780410     0.629802680 
H14 H     0.573000760     1.807700920     1.147072330 
H15 H     0.584713020     1.551551980     1.116002990 
H16 H     0.582490940     1.990342650     0.668325340 
H17 H     0.594221680     1.734474050     0.637740000 
H18 H     0.593796120     2.116894000     1.154475270 
H19 H     0.605557340     1.861493200     1.123019400 
H20 H     0.603183460     2.299588680     0.674776510 
H21 H     0.614977000     2.044619300     0.644177440 
H22 H     0.614509410     2.427427720     1.160474010 
H23 H     0.626355090     2.173324270     1.128204800 
H24 H     0.623746060     2.610625210     0.679888290 
H25 H     0.635634320     2.356880890     0.648947490 
H26 H     0.635220920     2.740520820     1.165439730 
H27 H     0.647226450     2.487529930     1.129099360 
H28 H     0.644371570     2.923105640     0.679987590 
H29 H     0.656358670     2.667878720     0.654972340 
H30 H     0.658223120     3.104218910     1.056777570 
H31 H     0.677517680     3.145023830     1.307135500 
H32 H     0.694113650     3.261400420     1.646214680 
H33 H     0.717486730     3.192359890     1.876378370 
H34 H     0.721817420     2.500968940     1.378451000 
H35 H     0.698605170     2.569705200     1.149786570 
H36 H     0.752020020     2.629720780     1.851049760 
H37 H     0.737137640     2.431378420     1.784606900 
H38 H     0.745168780     2.598597950     1.481062550 

#END
data_-158.407_g26a_fchk_9_10828_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 +x,-y,1/2+z
3 1/2+x,1/2+y,+z
4 1/2+x,1/2-y,1/2+z
_cell_length_a 48.2642
_cell_length_b 4.5352
_cell_length_c 10.2518
_cell_angle_alpha 90.0
_cell_angle_beta 93.5098
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.050142040     0.233957190     0.895444030 
C2 C     0.031004590     0.057575400     0.979879880 
C3 C     0.008858600     0.247850920     1.039674210 
C4 C    -0.010395830     0.073488870     1.124328220 
C5 C    -0.032526940     0.263661640     1.184184410 
C6 C    -0.051739510     0.088875090     1.268904140 
C7 C    -0.073869680     0.278573750     1.329021590 
C8 C    -0.093005920     0.103218160     1.413904120 
C9 C    -0.115123400     0.292308540     1.474452860 
C10 C    -0.134140940     0.116252490     1.559654640 
C11 C    -0.156220620     0.304765340     1.620781080 
C12 C    -0.175074450     0.127998130     1.706523900 
C13 C    -0.197116400     0.316366190     1.767842840 
C14 C    -0.215676310     0.134988010     1.853356250 
C15 C    -0.261512520     0.374233560     1.845877860 
C16 C    -0.305359630     0.658853770     1.874709060 
C17 C    -0.316688210     0.881130860     1.950350630 
C18 C    -0.342929140     0.992735570     1.918943100 
C19 C    -0.358702980     0.885077510     1.810350440 
C20 C    -0.347567470     0.664571990     1.734603850 
C21 C    -0.321111890     0.551641360     1.766233130 
C22 C    -0.399940160     0.926962030     1.671177180 
N1 N    -0.236775520     0.309006870     1.913488600 
N2 N    -0.278540630     0.556918530     1.913829030 
O1 O    -0.267586850     0.275382010     1.737087520 
O2 O    -0.384367950     1.008797260     1.787270770 
H1 H     0.065760740     0.092963110     0.854181920 
H2 H     0.038339750     0.341253540     0.814154780 
H3 H     0.061074150     0.406660110     0.952623480 
H4 H     0.043406680    -0.053500480     1.058476980 
H5 H     0.020799340    -0.117822450     0.921094760 
H6 H     0.019049660     0.423506010     1.098545480 
H7 H    -0.003566120     0.359143110     0.961074390 
H8 H     0.002047440    -0.037842930     1.202836660 
H9 H    -0.020578270    -0.102065140     1.065394560 
H10 H    -0.022351510     0.439290440     1.243098240 
H11 H    -0.044990940     0.374864250     1.105718160 
H12 H    -0.039259930    -0.022495700     1.347277730 
H13 H    -0.061919050    -0.086673120     1.209961260 
H14 H    -0.063696380     0.454292330     1.387891540 
H15 H    -0.086387330     0.389663570     1.250707330 
H16 H    -0.080463750    -0.008174520     1.492060870 
H17 H    -0.103193460    -0.072322620     1.354992190 
H18 H    -0.104942190     0.468176640     1.533204790 
H19 H    -0.127728520     0.403186500     1.396386930 
H20 H    -0.121503040     0.004883720     1.637496740 
H21 H    -0.144357110    -0.059260850     1.500850460 
H22 H    -0.146021550     0.480884400     1.679302640 
H23 H    -0.168971790     0.415127770     1.543125260 
H24 H    -0.162282380     0.016915950     1.783974400 
H25 H    -0.185322520    -0.047549430     1.647909150 
H26 H    -0.187095240     0.492807090     1.826747110 
H27 H    -0.210343470     0.423000470     1.691181760 
H28 H    -0.203165080     0.024101050     1.931325250 
H29 H    -0.226424180    -0.034786160     1.794236890 
H30 H    -0.232210560     0.396072540     2.002491370 
H31 H    -0.271343010     0.625331870     2.003069520 
H32 H    -0.304742850     0.967649690     2.035061700 
H33 H    -0.351677330     1.164113960     1.977384530 
H34 H    -0.359198860     0.576383020     1.649911550 
H35 H    -0.312586840     0.381212500     1.707283530 
H36 H    -0.419432330     1.047554650     1.672090960 
H37 H    -0.389245450     0.988195420     1.583852680 
H38 H    -0.404253280     0.689660570     1.668680800 

#END
data_-158.345_g26a_fchk_2_1226_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.6931
_cell_length_b 24.4082
_cell_length_c 13.5659
_cell_angle_alpha 96.2526
_cell_angle_beta 124.6439
_cell_angle_gamma 61.8465
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.819367480     0.719937890     0.313904470 
C2 C     0.599036010     0.771001750     0.359220040 
C3 C     0.834585530     0.802727460     0.446466650 
C4 C     0.616760160     0.853888540     0.492332530 
C5 C     0.852250150     0.885587670     0.579612390 
C6 C     0.634010250     0.936687560     0.625455720 
C7 C     0.869051930     0.968410460     0.712878770 
C8 C     0.650351720     1.019382410     0.758752920 
C9 C     0.884907100     1.051107880     0.846440390 
C10 C     0.665774500     1.101865360     0.892450700 
C11 C     0.900036690     1.133532450     0.980529700 
C12 C     0.680705680     1.183972260     1.026857800 
C13 C     0.914990870     1.215562490     1.115071510 
C14 C     0.690174420     1.265713880     1.160369830 
C15 C     0.910323560     1.344482940     1.202156100 
C16 C     1.212324580     1.415103170     1.282826660 
C17 C     1.481623200     1.426609020     1.391116320 
C18 C     1.557912700     1.474356000     1.387599260 
C19 C     1.366517440     1.512191940     1.275129230 
C20 C     1.099053120     1.500974140     1.167135700 
C21 C     1.021587400     1.452864810     1.170556690 
C22 C     1.251020950     1.600678210     1.169850240 
N1 N     0.907149330     1.296361990     1.244968760 
N2 N     1.150859150     1.365700200     1.294690860 
O1 O     0.713986480     1.366198660     1.092664160 
O2 O     1.460914850     1.558135620     1.281011150 
H1 H     0.644950290     0.698026390     0.251991380 
H2 H     0.879531800     0.740177540     0.264259920 
H3 H     1.107242220     0.682043510     0.390806280 
H4 H     0.533593490     0.749838780     0.405815330 
H5 H     0.308296540     0.807585310     0.280367390 
H6 H     1.125683530     0.766152830     0.525439400 
H7 H     0.900256100     0.823923400     0.399909460 
H8 H     0.551022030     0.832658700     0.538801630 
H9 H     0.325773950     0.890439400     0.413322140 
H10 H     1.143304870     0.849047110     0.658619590 
H11 H     0.917798530     0.906870000     0.533160630 
H12 H     0.568218640     0.915387120     0.671796810 
H13 H     0.343032400     0.973232080     0.546437970 
H14 H     1.160190650     0.931869370     0.791863960 
H15 H     0.934426410     0.989811010     0.666546490 
H16 H     0.584537110     0.997956460     0.804894450 
H17 H     0.359384950     1.055942530     0.679764260 
H18 H     1.176183310     1.014542890     0.925348580 
H19 H     0.949961750     1.072703260     0.800298630 
H20 H     0.600010700     1.080242690     0.938311420 
H21 H     0.374846510     1.138481360     0.813563650 
H22 H     1.191533390     1.096918580     1.059280210 
H23 H     0.964343140     1.155465040     0.934674480 
H24 H     0.615421950     1.162010970     1.072407510 
H25 H     0.389781100     1.220652890     0.948132440 
H26 H     1.206741040     1.179294290     1.194232980 
H27 H     0.973964050     1.238753850     1.069506920 
H28 H     0.624827010     1.244323850     1.206441330 
H29 H     0.405300240     1.303064760     1.082274350 
H30 H     1.075157670     1.278966750     1.335740520 
H31 H     1.299624730     1.344172070     1.381974440 
H32 H     1.633336270     1.397692140     1.479373360 
H33 H     1.765514020     1.483261410     1.471181810 
H34 H     0.945963770     1.529330290     1.078566980 
H35 H     0.814623820     1.444356360     1.086759000 
H36 H     1.368725050     1.633053400     1.194740700 
H37 H     1.301938090     1.575451850     1.104642920 
H38 H     0.928602730     1.628089520     1.126479480 

#END
data_-158.205_g26a_fchk_2_3745_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 14.4454
_cell_length_b 4.2441
_cell_length_c 39.348
_cell_angle_alpha 135.0866
_cell_angle_beta 41.9929
_cell_angle_gamma 115.0414
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.914566990     0.703177000     0.250979750 
C2 C     1.041360870     0.910826160     0.241002310 
C3 C     1.172846290     0.715625300     0.168793510 
C4 C     1.300295440     0.921123190     0.158278570 
C5 C     1.431784920     0.725865380     0.086090390 
C6 C     1.559142370     0.931539180     0.075682180 
C7 C     1.690840270     0.736468350     0.003518280 
C8 C     1.818078610     0.942140130    -0.006741290 
C9 C     1.950094000     0.747091650    -0.078883210 
C10 C     2.077215080     0.952428200    -0.088959330 
C11 C     2.209602230     0.756986170    -0.161090130 
C12 C     2.336663720     0.961386640    -0.170981290 
C13 C     2.469098690     0.765600910    -0.243088440 
C14 C     2.594821060     0.974337080    -0.251784220 
C15 C     2.850579630     0.638248330    -0.350723720 
C16 C     3.106259330     0.319088740    -0.459226100 
C17 C     3.197540070     0.152036890    -0.523935330 
C18 C     3.339636530    -0.036188600    -0.571521590 
C19 C     3.395043450    -0.062842980    -0.555743490 
C20 C     3.305047680     0.103116590    -0.491519840 
C21 C     3.161680650     0.292713320    -0.443491200 
C22 C     3.599951770    -0.247075960    -0.590365380 
N1 N     2.722578420     0.792598310    -0.320030880 
N2 N     2.962947990     0.503783510    -0.413904380 
O1 O     2.861409280     0.619531140    -0.324198530 
O2 O     3.536488300    -0.254485600    -0.606031640 
H1 H     0.822326170     0.847962670     0.302893090 
H2 H     0.883686740     0.765414500     0.237528030 
H3 H     0.939849580     0.332738910     0.219735650 
H4 H     1.067785410     0.853801810     0.256415080 
H5 H     1.012250140     1.282679420     0.273909500 
H6 H     1.202090500     0.343404150     0.135805200 
H7 H     1.146500070     0.772520740     0.153317790 
H8 H     1.326500250     0.864304710     0.173803210 
H9 H     1.270973340     1.293261090     0.191273180 
H10 H     1.461114690     0.353707040     0.053079290 
H11 H     1.405676350     0.782907080     0.070555390 
H12 H     1.585111610     0.874755490     0.091285660 
H13 H     1.529803270     1.303666330     0.108681160 
H14 H     1.720141600     0.364277810    -0.029500900 
H15 H     1.665029370     0.793744270    -0.012092320 
H16 H     1.843657890     0.885335840     0.008986510 
H17 H     1.788792490     1.314259130     0.026240230 
H18 H     1.979272200     0.374846890    -0.111892600 
H19 H     1.924767690     0.804783860    -0.094612290 
H20 H     2.102215780     0.895494380    -0.073055390 
H21 H     2.048115840     1.324521700    -0.056039730 
H22 H     2.238530590     0.384672170    -0.194070480 
H23 H     2.185073300     0.815582960    -0.176987530 
H24 H     2.360847470     0.903757060    -0.154863860 
H25 H     2.307831660     1.333426370    -0.138135230 
H26 H     2.498938800     0.393379090    -0.276414040 
H27 H     2.446765430     0.830233330    -0.259095190 
H28 H     2.620352690     0.917376060    -0.236137030 
H29 H     2.567367790     1.342965010    -0.220400970 
H30 H     2.717081610     0.808533560    -0.342834410 
H31 H     2.941444160     0.534855080    -0.430714490 
H32 H     3.156456440     0.169935430    -0.537125970 
H33 H     3.410044120    -0.165409660    -0.621472210 
H34 H     3.344412700     0.088026190    -0.477620620 
H35 H     3.092532410     0.420842280    -0.393874730 
H36 H     3.710936040    -0.415974830    -0.636722390 
H37 H     3.593050310     0.103617160    -0.552765940 
H38 H     3.551191760    -0.433426030    -0.572398150 

#END
data_-158.087_g26a_fchk_2_10149_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 30.189
_cell_length_b 4.7399
_cell_length_c 11.1299
_cell_angle_alpha 107.176
_cell_angle_beta 95.6688
_cell_angle_gamma 46.9006
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.313252200     0.839370890     0.267294980 
C2 C     0.262376960     1.203453900     0.221474680 
C3 C     0.229504890     1.123103850     0.125215690 
C4 C     0.178522880     1.485471810     0.078775800 
C5 C     0.145675700     1.405174040    -0.017512250 
C6 C     0.094753380     1.767826460    -0.063913340 
C7 C     0.061879170     1.688188620    -0.160336980 
C8 C     0.011079920     2.051117040    -0.206744430 
C9 C    -0.021803910     1.972281510    -0.303421910 
C10 C    -0.072398770     2.335429000    -0.349932460 
C11 C    -0.105236160     2.257242470    -0.446988910 
C12 C    -0.155530970     2.620404150    -0.493778720 
C13 C    -0.188297210     2.542216790    -0.590962280 
C14 C    -0.238289360     2.909203480    -0.636562680 
C15 C    -0.315467610     2.871854430    -0.692091290 
C16 C    -0.385729880     2.783584170    -0.787581870 
C17 C    -0.402082150     2.682902890    -0.903499630 
C18 C    -0.448314250     2.685717760    -0.906923060 
C19 C    -0.479711630     2.789486400    -0.793982280 
C20 C    -0.463652270     2.889229690    -0.678449610 
C21 C    -0.417064020     2.886830210    -0.674856180 
C22 C    -0.558784610     2.898487650    -0.694684300 
N1 N    -0.270060170     2.842605870    -0.729623800 
N2 N    -0.338289650     2.774508200    -0.792647180 
O1 O    -0.333698050     2.978553710    -0.580270900 
O2 O    -0.524640660     2.783911260    -0.807033700 
H1 H     0.335989970     0.904762660     0.335706260 
H2 H     0.294921210     0.756365010     0.313426190 
H3 H     0.348255730     0.572487690     0.187731640 
H4 H     0.281678790     1.286615300     0.178619290 
H5 H     0.228693840     1.468661060     0.303200000 
H6 H     0.263176500     0.857690750     0.043360840 
H7 H     0.210170240     1.039814630     0.168024080 
H8 H     0.197892630     1.568667350     0.036060850 
H9 H     0.144875370     1.750686910     0.160668330 
H10 H     0.179313330     1.139904220    -0.099404290 
H11 H     0.126254420     1.322281710     0.025184020 
H12 H     0.114194920     1.850803420    -0.106491190 
H13 H     0.061112210     2.033013470     0.017987060 
H14 H     0.095517940     1.422807620    -0.242208870 
H15 H     0.042339950     1.605817380    -0.117769160 
H16 H     0.030648380     2.133665420    -0.249108300 
H17 H    -0.022577120     2.316354010    -0.124875100 
H18 H     0.011860140     1.706630540    -0.385217270 
H19 H    -0.041537330     1.890795020    -0.261058590 
H20 H    -0.052632130     2.417255330    -0.391994970 
H21 H    -0.106112620     2.600842860    -0.268171840 
H22 H    -0.071520480     1.991100300    -0.528626180 
H23 H    -0.125304740     2.177433210    -0.404931810 
H24 H    -0.135427360     2.700792510    -0.535504160 
H25 H    -0.189311700     2.886115780    -0.412187100 
H26 H    -0.154927420     2.276902040    -0.673054430 
H27 H    -0.209598650     2.470321870    -0.549209320 
H28 H    -0.218753660     2.991262370    -0.678871110 
H29 H    -0.272732720     3.170723190    -0.555814440 
H30 H    -0.255527510     2.749895210    -0.822519280 
H31 H    -0.319682470     2.690010090    -0.881146810 
H32 H    -0.378195620     2.601307740    -0.992248790 
H33 H    -0.460960170     2.608313200    -0.996383200 
H34 H    -0.486978430     2.970780290    -0.589303290 
H35 H    -0.404792820     2.963989380    -0.585248360 
H36 H    -0.591777270     2.875028770    -0.725912010 
H37 H    -0.529325510     2.694624140    -0.637782320 
H38 H    -0.583412110     3.212254210    -0.636139910 

#END
data_-158.064_g26a_fchk_2_6457_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 8.3448
_cell_length_b 6.8263
_cell_length_c 26.0818
_cell_angle_alpha 102.4073
_cell_angle_beta 83.7793
_cell_angle_gamma 51.945
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.547658960     0.095939430     0.262372730 
C2 C     0.498111250     0.310422530     0.239757020 
C3 C     0.621626370     0.196773360     0.178477070 
C4 C     0.573196240     0.409725140     0.155447330 
C5 C     0.696741550     0.296170610     0.094196250 
C6 C     0.648216010     0.509464990     0.071271440 
C7 C     0.771755390     0.396429580     0.010043250 
C8 C     0.723210980     0.610185320    -0.012714520 
C9 C     0.846856890     0.497838340    -0.073903500 
C10 C     0.798449190     0.712175550    -0.096426060 
C11 C     0.922406060     0.600513860    -0.157551300 
C12 C     0.874425670     0.815468670    -0.179784240 
C13 C     0.998557540     0.703959360    -0.240851160 
C14 C     0.948335250     0.922480020    -0.262120270 
C15 C     0.962139040     0.860254590    -0.359494490 
C16 C     1.044974630     0.743385500    -0.462343200 
C17 C     1.214220940     0.586620480    -0.512135080 
C18 C     1.175652060     0.581492800    -0.562468810 
C19 C     0.965648210     0.733552760    -0.564544640 
C20 C     0.796673380     0.889464810    -0.515248620 
C21 C     0.835341460     0.894987110    -0.464450110 
C22 C     0.733145400     0.871168690    -0.620014700 
N1 N     1.065080960     0.821842420    -0.320095470 
N2 N     1.098370480     0.737795940    -0.412917420 
O1 O     0.768679780     0.992904110    -0.347539160 
O2 O     0.943702050     0.715594120    -0.616134760 
H1 H     0.457678040     0.182431790     0.306171820 
H2 H     0.506648260    -0.014593620     0.240072140 
H3 H     0.718240290    -0.048136610     0.258030130 
H4 H     0.535491550     0.422400870     0.263685910 
H5 H     0.325783210     0.455247710     0.245727390 
H6 H     0.794154810     0.051775290     0.172449490 
H7 H     0.584322250     0.084634400     0.154489560 
H8 H     0.610422850     0.521837620     0.179478380 
H9 H     0.400678370     0.554597920     0.161485320 
H10 H     0.869268810     0.151233720     0.088141150 
H11 H     0.659447450     0.184216580     0.070139360 
H12 H     0.685355020     0.621509150     0.095379670 
H13 H     0.475697590     0.654325100     0.077314560 
H14 H     0.944285730     0.251399230     0.003980050 
H15 H     0.734450720     0.284707590    -0.014106350 
H16 H     0.760239160     0.722078070     0.011520800 
H17 H     0.550712430     0.755061990    -0.006688400 
H18 H     1.019369170     0.352619040    -0.079956850 
H19 H     0.809520020     0.386519560    -0.098201600 
H20 H     0.835356090     0.823792930    -0.072003600 
H21 H     0.626019270     0.857109550    -0.090460630 
H22 H     1.094864780     0.454958490    -0.163577380 
H23 H     0.884921680     0.490008780    -0.182081000 
H24 H     0.911386250     0.926470020    -0.155095980 
H25 H     0.702103960     0.960550980    -0.173886740 
H26 H     1.171247300     0.558513580    -0.247241430 
H27 H     0.959129310     0.597771910    -0.265901150 
H28 H     0.985404500     1.033895640    -0.237967910 
H29 H     0.777813900     1.062962810    -0.257571990 
H30 H     1.225053630     0.709295050    -0.331211660 
H31 H     1.255496450     0.633035490    -0.417857940 
H32 H     1.378479040     0.467043310    -0.511361200 
H33 H     1.306273500     0.460660910    -0.600888700 
H34 H     0.632283040     1.009415190    -0.515352060 
H35 H     0.704085210     1.015794050    -0.426439830 
H36 H     0.751510170     0.828899100    -0.663952520 
H37 H     0.646401040     0.816531190    -0.602693210 
H38 H     0.641267610     1.084781320    -0.599020210 

#END
data_-157.777_g26a_fchk_1_4714_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
_cell_length_a 31.2878
_cell_length_b 4.2794
_cell_length_c 4.7341
_cell_angle_alpha 88.0434
_cell_angle_beta 61.928
_cell_angle_gamma 83.8036
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.662995490     0.892329440     0.201320900 
C2 C     0.702805960     0.750056450     0.282446830 
C3 C     0.750685930     0.642153410    -0.013990540 
C4 C     0.790753990     0.499456730     0.064565300 
C5 C     0.838615040     0.391386470    -0.231709450 
C6 C     0.878614020     0.248482580    -0.152548560 
C7 C     0.926498510     0.139839750    -0.448374270 
C8 C     0.966380350    -0.003558540    -0.368320020 
C9 C     1.014287700    -0.113184090    -0.663528840 
C10 C     1.053998850    -0.257519920    -0.582277450 
C11 C     1.101905880    -0.368524560    -0.876804090 
C12 C     1.141398520    -0.514408490    -0.794167960 
C13 C     1.189264050    -0.625929400    -1.088402210 
C14 C     1.228157460    -0.771528440    -0.999808670 
C15 C     1.316958470    -0.774916440    -1.324822630 
C16 C     1.405785730    -0.830619270    -1.726122570 
C17 C     1.440089720    -0.981320350    -2.015112370 
C18 C     1.489000100    -0.940173640    -2.147106020 
C19 C     1.505158690    -0.745927480    -1.993479970 
C20 C     1.471277850    -0.595001590    -1.706532010 
C21 C     1.421940340    -0.636496760    -1.573004060 
C22 C     1.572932440    -0.559860720    -1.974685860 
N1 N     1.274051550    -0.881120890    -1.275324430 
N2 N     1.356736110    -0.886289410    -1.607821300 
O1 O     1.319039500    -0.602035340    -1.132713380 
O2 O     1.554103130    -0.720188130    -2.142081440 
H1 H     0.629228480     0.966857550     0.417087890 
H2 H     0.674357580     1.097950970     0.050204530 
H3 H     0.654733430     0.722277740     0.071107540 
H4 H     0.690034930     0.549746170     0.440338240 
H5 H     0.709600760     0.922534010     0.418797400 
H6 H     0.743930100     0.469484410    -0.150671860 
H7 H     0.763498230     0.842500350    -0.172199580 
H8 H     0.777898380     0.299286790     0.222907460 
H9 H     0.797489170     0.672244850     0.201191170 
H10 H     0.831890380     0.218653380    -0.368439420 
H11 H     0.851508610     0.591512170    -0.390020140 
H12 H     0.865679830     0.048553420     0.006010660 
H13 H     0.885343270     0.421285590    -0.015914440 
H14 H     0.919773370    -0.032793850    -0.585198600 
H15 H     0.939499360     0.339733360    -0.606829790 
H16 H     0.953313460    -0.203112580    -0.209433790 
H17 H     0.973127060     0.169188570    -0.231732710 
H18 H     1.007536930    -0.285571420    -0.800454000 
H19 H     1.027463120     0.086332140    -0.822192670 
H20 H     1.040732020    -0.456544440    -0.422950290 
H21 H     1.060807650    -0.084965710    -0.445858160 
H22 H     1.095100310    -0.540432920    -1.013874250 
H23 H     1.115369480    -0.169614840    -1.035653370 
H24 H     1.127828400    -0.712868350    -0.634391980 
H25 H     1.148284150    -0.342225640    -0.657878830 
H26 H     1.182810650    -0.798380510    -1.226635400 
H27 H     1.203589440    -0.428036340    -1.245767850 
H28 H     1.215127290    -0.970620500    -0.841545990 
H29 H     1.235914830    -0.597580200    -0.871480540 
H30 H     1.273351110    -1.020918420    -1.439410500 
H31 H     1.350669730    -1.027658450    -1.748254800 
H32 H     1.428229090    -1.133058850    -2.138057810 
H33 H     1.515474080    -1.056677930    -2.370002710 
H34 H     1.482523440    -0.442998820    -1.581460430 
H35 H     1.395876520    -0.519080160    -1.351099440 
H36 H     1.611970960    -0.567232810    -2.132406580 
H37 H     1.557072160    -0.314259180    -1.922773880 
H38 H     1.566538690    -0.675700070    -1.750081420 

#END
data_-157.681_g26a_fchk_1_9825_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
_cell_length_a 4.6195
_cell_length_b 23.9699
_cell_length_c 6.0319
_cell_angle_alpha 93.746
_cell_angle_beta 78.1329
_cell_angle_gamma 60.3218
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     1.010509960     0.365924650     0.322959510 
C2 C     0.756454660     0.413903240     0.203379390 
C3 C     0.907862860     0.446859080     0.050251480 
C4 C     0.655753430     0.494953640    -0.070175600 
C5 C     0.806951850     0.527938280    -0.223159880 
C6 C     0.554257740     0.576060750    -0.343226490 
C7 C     0.704637490     0.609180470    -0.496099870 
C8 C     0.451026940     0.657373550    -0.615491740 
C9 C     0.600210830     0.690712330    -0.768092550 
C10 C     0.345274020     0.739046700    -0.886408920 
C11 C     0.493058180     0.772672370    -1.038478160 
C12 C     0.236416530     0.821249810    -1.155270800 
C13 C     0.383738400     0.854965330    -1.306961870 
C14 C     0.122256990     0.903407070    -1.421499570 
C15 C     0.263030230     0.989151490    -1.469979210 
C16 C     0.423225640     1.070688760    -1.592380990 
C17 C     0.539110740     1.090963200    -1.786535990 
C18 C     0.593257040     1.142613290    -1.762867660 
C19 C     0.532587360     1.175746900    -1.543250290 
C20 C     0.416875460     1.155951410    -1.349525730 
C21 C     0.362423750     1.103829860    -1.373152740 
C22 C     0.525882400     1.262131420    -1.318051930 
N1 N     0.255086010     0.936457370    -1.566136730 
N2 N     0.375962930     1.017514120    -1.631950350 
O1 O     0.181050790     1.007829650    -1.261292440 
O2 O     0.593640650     1.226040370    -1.537448460 
H1 H     0.895715200     0.343199000     0.431310260 
H2 H     1.244870270     0.326692910     0.196338080 
H3 H     1.090213620     0.390728400     0.433269370 
H4 H     0.520773420     0.451692140     0.333722490 
H5 H     0.674879350     0.388164790     0.098240410 
H6 H     0.989608550     0.472641430     0.155311460 
H7 H     1.143804110     0.409071670    -0.080273520 
H8 H     0.419859510     0.532691660     0.060461310 
H9 H     0.574175720     0.469137280    -0.175191390 
H10 H     0.888642760     0.553745500    -0.118208100 
H11 H     1.042697040     0.490226950    -0.353946010 
H12 H     0.318437670     0.613723830    -0.212352920 
H13 H     0.472692840     0.550239100    -0.448222760 
H14 H     0.786479490     0.634965320    -0.391182360 
H15 H     0.940164210     0.571557720    -0.627254470 
H16 H     0.215359280     0.694914850    -0.484204040 
H17 H     0.369442960     0.631569050    -0.720539640 
H18 H     0.682343300     0.716434990    -0.663158590 
H19 H     0.835352610     0.653234540    -0.899847930 
H20 H     0.109874880     0.776409740    -0.754480870 
H21 H     0.263626650     0.713302040    -0.991642880 
H22 H     0.575712340     0.798273480    -0.933492850 
H23 H     0.727400730     0.735435760    -1.171238630 
H24 H     0.001548510     0.858381280    -1.022265600 
H25 H     0.154542890     0.795607190    -1.260684470 
H26 H     0.466525050     0.880793090    -1.203246530 
H27 H     0.613866610     0.818361820    -1.443135050 
H28 H    -0.112604120     0.940856210    -1.290533490 
H29 H     0.047706190     0.877565180    -1.531105490 
H30 H     0.320807940     0.922571730    -1.738812410 
H31 H     0.436518540     0.997965110    -1.799837720 
H32 H     0.587541270     1.065838450    -1.958592220 
H33 H     0.682941350     1.158221860    -1.912719470 
H34 H     0.367243900     1.180518590    -1.177096940 
H35 H     0.272711900     1.088734040    -1.222758410 
H36 H     0.592159730     1.299059840    -1.351947190 
H37 H     0.251973210     1.286388510    -1.221746320 
H38 H     0.685624330     1.230825690    -1.214366270 

#END
data_-157.671_g26a_fchk_2_2415_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 11.7449
_cell_length_b 8.0165
_cell_length_c 30.7935
_cell_angle_alpha 68.7445
_cell_angle_beta 89.8345
_cell_angle_gamma 147.7573
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.261239590     0.688756620     0.727288660 
C2 C     0.063122790     0.477276190     0.713239360 
C3 C     0.206763490     0.755236810     0.646401110 
C4 C     0.010364850     0.546569260     0.631868620 
C5 C     0.153894200     0.824458590     0.565056470 
C6 C    -0.042901000     0.615315380     0.550632900 
C7 C     0.100100680     0.892747470     0.483850670 
C8 C    -0.097246890     0.683058010     0.469590050 
C9 C     0.045046170     0.959997640     0.402847840 
C10 C    -0.153016990     0.749769040     0.388804450 
C11 C    -0.011450230     1.026414890     0.322110920 
C12 C    -0.210305550     0.815879060     0.308315760 
C13 C    -0.068929030     1.092534180     0.241666580 
C14 C    -0.271797130     0.875831210     0.228971710 
C15 C    -0.057084600     1.144336730     0.131756370 
C16 C     0.183151690     1.504489030     0.025582400 
C17 C     0.288551480     1.775551540    -0.030763760 
C18 C     0.395813030     1.869091360    -0.078658900 
C19 C     0.401145590     1.693815090    -0.071632500 
C20 C     0.297199080     1.424773200    -0.015803970 
C21 C     0.188753010     1.329885300     0.032553140 
C22 C     0.566059780     1.699940160    -0.119370730 
N1 N    -0.142724210     1.132967760     0.165856160 
N2 N     0.076880690     1.424795230     0.071981870 
O1 O    -0.100006710     0.922055810     0.153169780 
O2 O     0.510829940     1.804564610    -0.121474820 
H1 H     0.153411540     0.483909800     0.775261180 
H2 H     0.384955370     0.756133180     0.707714420 
H3 H     0.400941760     0.993277670     0.709324110 
H4 H    -0.062836820     0.403452260     0.734588000 
H5 H    -0.078194980     0.168886420     0.732838140 
H6 H     0.348278770     1.064031910     0.626733050 
H7 H     0.332913360     0.829325210     0.624990550 
H8 H    -0.115781100     0.472383330     0.653324230 
H9 H    -0.131032500     0.237880580     0.651543540 
H10 H     0.295364580     1.133225140     0.545364080 
H11 H     0.279900020     0.898463300     0.543584150 
H12 H    -0.169020430     0.541027200     0.572164670 
H13 H    -0.184288690     0.306632230     0.570312410 
H14 H     0.241668280     1.201601880     0.464149080 
H15 H     0.225929760     0.966627450     0.462297200 
H16 H    -0.223285160     0.608669320     0.491244290 
H17 H    -0.238641940     0.374396760     0.489252760 
H18 H     0.186796090     1.268981450     0.383153540 
H19 H     0.170561390     1.033635380     0.381165940 
H20 H    -0.278885170     0.675320400     0.410635310 
H21 H    -0.294436470     0.441184910     0.408407370 
H22 H     0.130619150     1.335597760     0.302440030 
H23 H     0.113395400     1.099417930     0.300238320 
H24 H    -0.335716600     0.741771980     0.330378470 
H25 H    -0.351836850     0.507344640     0.327850950 
H26 H     0.073232230     1.402182710     0.221645410 
H27 H     0.051996950     1.160330920     0.219515690 
H28 H    -0.397316200     0.801953520     0.250538850 
H29 H    -0.408055670     0.574183690     0.247064230 
H30 H    -0.102049270     1.323007220     0.146890320 
H31 H     0.100863510     1.592336650     0.059325020 
H32 H     0.286284690     1.914915490    -0.037100550 
H33 H     0.476955690     2.078021700    -0.122129220 
H34 H     0.298244380     1.283883960    -0.008810370 
H35 H     0.108750990     1.121799850     0.075635790 
H36 H     0.650059400     1.812668450    -0.162782450 
H37 H     0.715551360     1.860611570    -0.111550240 
H38 H     0.379925920     1.353105560    -0.084781370 

#END
data_-157.639_g26a_fchk_2_14429_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.4986
_cell_length_b 17.7741
_cell_length_c 20.3001
_cell_angle_alpha 54.7081
_cell_angle_beta 72.476
_cell_angle_gamma 102.2384
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.251567880     0.481391280     0.686808940 
C2 C     0.319072160     0.577924300     0.592339570 
C3 C     0.336727170     0.668534000     0.586779080 
C4 C     0.404169490     0.765491380     0.492547270 
C5 C     0.421618630     0.856063710     0.486985260 
C6 C     0.488723710     0.952894430     0.392727220 
C7 C     0.505845280     1.043540150     0.387017830 
C8 C     0.572189760     1.140143860     0.292758820 
C9 C     0.588618010     1.230863960     0.286873670 
C10 C     0.653599140     1.327124860     0.192652060 
C11 C     0.668843520     1.417860180     0.186635180 
C12 C     0.731677310     1.513664480     0.092517950 
C13 C     0.746297150     1.604310140     0.086522230 
C14 C     0.808554750     1.699110220    -0.008111380 
C15 C     0.773993550     1.863153630    -0.081694360 
C16 C     0.777946620     2.032652430    -0.140587650 
C17 C     0.788477540     2.096489680    -0.120752710 
C18 C     0.750544900     2.184713730    -0.173033260 
C19 C     0.700984160     2.211950180    -0.247142750 
C20 C     0.690820700     2.149001760    -0.267370760 
C21 C     0.728755570     2.059946490    -0.214645860 
C22 C     0.666438690     2.339487680    -0.378458060 
N1 N     0.822001880     1.786413790    -0.015600950 
N2 N     0.817472600     1.944057080    -0.083665140 
O1 O     0.696500400     1.858207280    -0.132282190 
O2 O     0.665891340     2.300343600    -0.294611180 
H1 H     0.239695580     0.417912380     0.688912400 
H2 H     0.464914690     0.502509610     0.698230260 
H3 H    -0.002392350     0.449191800     0.746897620 
H4 H     0.106747900     0.554054080     0.581537520 
H5 H     0.570638440     0.607126450     0.533287830 
H6 H     0.085040760     0.639397210     0.645855900 
H7 H     0.549178440     0.692480940     0.597588230 
H8 H     0.191739280     0.741455030     0.481777680 
H9 H     0.655862710     0.794578220     0.433521230 
H10 H     0.169996880     0.826995900     0.546017590 
H11 H     0.634191460     0.880191040     0.497673700 
H12 H     0.276241880     0.928692390     0.382039780 
H13 H     0.740407060     0.981968140     0.333709810 
H14 H     0.254291910     1.014466970     0.446073350 
H15 H     0.718636060     1.067906160     0.397547360 
H16 H     0.359575830     1.115658580     0.282222600 
H17 H     0.823882560     1.169254410     0.233722880 
H18 H     0.337162790     1.201728710     0.345997040 
H19 H     0.801772590     1.255620190     0.297136960 
H20 H     0.440733260     1.302208600     0.182359700 
H21 H     0.905331130     1.356366510     0.133550350 
H22 H     0.417572750     1.388596060     0.245885760 
H23 H     0.882666920     1.443271860     0.196413620 
H24 H     0.518114860     1.488074090     0.082667720 
H25 H     0.983347960     1.543070690     0.033318740 
H26 H     0.495741870     1.575787500     0.145435020 
H27 H     0.963593550     1.631838680     0.094243330 
H28 H     0.596380290     1.674679470    -0.018563950 
H29 H     1.063511600     1.730073880    -0.066851800 
H30 H     0.889306530     1.793129800     0.024459200 
H31 H     0.881761830     1.939894760    -0.038630750 
H32 H     0.826894110     2.076624470    -0.063469320 
H33 H     0.758404150     2.233924600    -0.157670700 
H34 H     0.653063060     2.167812830    -0.324233480 
H35 H     0.720907890     2.011552230    -0.230613320 
H36 H     0.634412330     2.408751130    -0.404420330 
H37 H     0.919856570     2.363297310    -0.433141650 
H38 H     0.443489370     2.280580690    -0.363628090 

#END
data_-157.564_g26a_fchk_14_8616_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 21.0615
_cell_length_b 4.2078
_cell_length_c 25.9223
_cell_angle_alpha 90.0
_cell_angle_beta 73.2974
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.745128100     0.189784910     0.921543020 
C2 C     0.755469820     0.281612930     0.862597700 
C3 C     0.828055630     0.349256400     0.832395250 
C4 C     0.838936740     0.441342050     0.773388190 
C5 C     0.911488320     0.509169420     0.743191080 
C6 C     0.922239940     0.601516290     0.684206130 
C7 C     0.994739300     0.669872240     0.653928900 
C8 C     1.005292730     0.762814540     0.594993630 
C9 C     1.077716550     0.832107150     0.564616080 
C10 C     1.087998770     0.926143190     0.505761850 
C11 C     1.160327050     0.996799420     0.475302360 
C12 C     1.170287200     1.092596930     0.416563610 
C13 C     1.242551340     1.163811770     0.386121000 
C14 C     1.251264850     1.259722630     0.327521550 
C15 C     1.350336550     1.169326790     0.250967920 
C16 C     1.461402220     1.137605260     0.181543070 
C17 C     1.527922870     1.230111040     0.170914400 
C18 C     1.575238010     1.130738690     0.124761290 
C19 C     1.557385020     0.934684550     0.087681510 
C20 C     1.491406180     0.841366290     0.098010450 
C21 C     1.443622980     0.941631450     0.144524380 
C22 C     1.590431230     0.681967290     0.001756360 
N1 N     1.319556220     1.330351880     0.297636150 
N2 N     1.416385300     1.250433380     0.229384850 
O1 O     1.321081970     0.976987490     0.230864600 
O2 O     1.607546070     0.849221600     0.043324450 
H1 H     0.692917080     0.143309720     0.942145840 
H2 H     0.773174680    -0.024557950     0.924759610 
H3 H     0.761794600     0.379522850     0.943447690 
H4 H     0.725572090     0.491902140     0.860488110 
H5 H     0.737038200     0.090856290     0.841910240 
H6 H     0.846560810     0.540178160     0.853066270 
H7 H     0.858024590     0.138897210     0.834486350 
H8 H     0.808922340     0.651566750     0.771338880 
H9 H     0.820427940     0.250327370     0.752749520 
H10 H     0.930018530     0.700121110     0.763827790 
H11 H     0.941519010     0.298941900     0.745189680 
H12 H     0.892147410     0.811579930     0.682234420 
H13 H     0.903726530     0.410493220     0.663574120 
H14 H     1.013283060     0.860728630     0.674576740 
H15 H     1.024852690     0.459758300     0.655807070 
H16 H     0.975074530     0.972640350     0.593156690 
H17 H     0.986796470     0.571829620     0.574344220 
H18 H     1.096260040     1.022750010     0.585308280 
H19 H     1.107960310     0.622176200     0.566295500 
H20 H     1.057599470     1.135649620     0.504132860 
H21 H     1.069563720     0.735288050     0.485050750 
H22 H     1.178859470     1.187030230     0.496081740 
H23 H     1.190761570     0.787145290     0.476637680 
H24 H     1.139648660     1.301873070     0.415270260 
H25 H     1.151916870     0.902032830     0.395767050 
H26 H     1.261459480     1.354230120     0.406577040 
H27 H     1.273237370     0.954065390     0.386227350 
H28 H     1.221159490     1.469068720     0.325706870 
H29 H     1.234584530     1.066742000     0.306470910 
H30 H     1.345095210     1.485226270     0.313572010 
H31 H     1.435334320     1.412275280     0.249514560 
H32 H     1.542750910     1.382275850     0.199258510 
H33 H     1.626562370     1.202344510     0.116544280 
H34 H     1.475893610     0.689708310     0.070195070 
H35 H     1.392662360     0.868632240     0.152341640 
H36 H     1.636840320     0.638915520    -0.029348890 
H37 H     1.566716850     0.453939120     0.016097830 
H38 H     1.557417060     0.822309500    -0.015214560 

#END
data_-157.412_g26a_fchk_2_11080_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.3676
_cell_length_b 20.3323
_cell_length_c 15.7796
_cell_angle_alpha 124.5221
_cell_angle_beta 108.1013
_cell_angle_gamma 73.7105
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.755702950     0.670791530     0.481572790 
C2 C     0.730225740     0.672229840     0.577148030 
C3 C     0.654834840     0.757437030     0.669116460 
C4 C     0.628840980     0.759540370     0.765129520 
C5 C     0.553671120     0.844713630     0.857106900 
C6 C     0.528113290     0.846671920     0.953068080 
C7 C     0.453363810     0.931780650     1.045214570 
C8 C     0.428681300     0.933528710     1.141114630 
C9 C     0.354725490     1.018554880     1.233519790 
C10 C     0.331521450     1.020029560     1.329373930 
C11 C     0.258810470     1.104969830     1.422085830 
C12 C     0.237823590     1.106143050     1.517950880 
C13 C     0.165736840     1.191029910     1.610712400 
C14 C     0.146596240     1.190693210     1.705706030 
C15 C    -0.060151090     1.281773990     1.870270760 
C16 C    -0.259959850     1.393818820     2.035362140 
C17 C    -0.325400820     1.477925340     2.097961740 
C18 C    -0.455457490     1.514133510     2.186627230 
C19 C    -0.524589840     1.467097100     2.215467230 
C20 C    -0.460722320     1.383487620     2.153560180 
C21 C    -0.329303130     1.346890840     2.064156960 
C22 C    -0.681660020     1.463979670     2.344864540 
N1 N     0.079703160     1.270759820     1.795370190 
N2 N    -0.126421020     1.361903200     1.946644640 
O1 O    -0.115036340     1.225397350     1.868723690 
O2 O    -0.652293360     1.508308910     2.304266460 
H1 H     0.810087080     0.609301680     0.417207900 
H2 H     0.528165680     0.698026770     0.452707110 
H3 H     0.948124680     0.704588060     0.500998500 
H4 H     0.958085400     0.642815630     0.602809660 
H5 H     0.541022740     0.636509160     0.555017260 
H6 H     0.844074650     0.793251490     0.691341710 
H7 H     0.426793230     0.786932320     0.643505250 
H8 H     0.856882400     0.729993950     0.790637500 
H9 H     0.439573180     0.723726010     0.742844810 
H10 H     0.742851280     0.880551620     0.879394300 
H11 H     0.325522920     0.874267250     0.831669700 
H12 H     0.756229050     0.817041810     0.978405100 
H13 H     0.338854390     0.810853190     0.930770970 
H14 H     0.642457650     0.967634570     1.067477910 
H15 H     0.225020290     0.961410850     1.019994120 
H16 H     0.656952920     0.903767360     1.166168570 
H17 H     0.239408060     0.897728360     1.118856030 
H18 H     0.543695360     1.054411360     1.255687790 
H19 H     0.126062950     1.048303670     1.208652650 
H20 H     0.560062250     0.990083510     1.354007670 
H21 H     0.142191800     0.984294700     1.307251070 
H22 H     0.447556500     1.140818550     1.444061820 
H23 H     0.029600740     1.134878900     1.397802410 
H24 H     0.466999360     1.075976130     1.541992040 
H25 H     0.048543380     1.070478340     1.496025810 
H26 H     0.353663510     1.227270660     1.633336950 
H27 H    -0.065910150     1.220934420     1.588056630 
H28 H     0.374323100     1.161058890     1.730706050 
H29 H    -0.047395880     1.156969490     1.684606810 
H30 H     0.119112740     1.318407860     1.798060350 
H31 H    -0.070878200     1.403403420     1.939890570 
H32 H    -0.273442540     1.515475860     2.076797700 
H33 H    -0.505716110     1.579042970     2.234973350 
H34 H    -0.511397420     1.345298600     2.173569010 
H35 H    -0.280528860     1.282193730     2.016503010 
H36 H    -0.785632390     1.507561980     2.414748010 
H37 H    -0.843618660     1.418013000     2.288752250 
H38 H    -0.444463440     1.435020440     2.366426860 

#END
data_-157.400_g26a_fchk_2_13017_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 58.6751
_cell_length_b 59.9635
_cell_length_c 27.4655
_cell_angle_alpha 9.9257
_cell_angle_beta 168.5221
_cell_angle_gamma 176.1389
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.817446280     0.325654370     0.219499900 
C2 C     0.779714940     0.175645450     0.426112380 
C3 C     0.979184430     0.413376350     0.285112410 
C4 C     0.943132560     0.265681690     0.490002250 
C5 C     1.142331660     0.503117930     0.349068670 
C6 C     1.105612250     0.354640400     0.554280770 
C7 C     1.304197660     0.591243060     0.413793800 
C8 C     1.266296210     0.441455070     0.619393390 
C9 C     1.463853010     0.676757150     0.479451970 
C10 C     1.424105580     0.524994640     0.685473200 
C11 C     1.620214130     0.758617010     0.545990310 
C12 C     1.577895870     0.604203970     0.752342440 
C13 C     1.773322520     0.837128050     0.612914670 
C14 C     1.726542980     0.676824120     0.823133940 
C15 C     1.836425340     0.921469700     0.452936010 
C16 C     2.009106830     1.202694350     0.129363630 
C17 C     2.183301190     1.361338580     0.109146200 
C18 C     2.190616920     1.458032950    -0.121129260 
C19 C     2.022896500     1.398414710    -0.339092480 
C20 C     1.848797940     1.240302800    -0.320236690 
C21 C     1.841452570     1.142939680    -0.088216670 
C22 C     1.908754410     1.484775080    -0.797649960 
N1 N     1.908524710     0.891941980     0.695701490 
N2 N     2.015537810     1.113840000     0.370451800 
O1 O     1.635902640     0.792359830     0.323933300 
O2 O     2.044795380     1.503165130    -0.557639490 
H1 H     0.672206090     0.150507220     0.325485450 
H2 H     1.090913100     0.632044280     0.143095710 
H3 H     0.720199900     0.313231590     0.027727230 
H4 H     0.503058900    -0.134300340     0.505048250 
H5 H     0.871589020     0.182892020     0.619063940 
H6 H     0.887433230     0.406329450     0.091937710 
H7 H     1.256147480     0.723683060     0.206013830 
H8 H     0.666119540    -0.044653310     0.569104690 
H9 H     1.034946470     0.272853080     0.683063890 
H10 H     1.050644270     0.496094690     0.155949850 
H11 H     1.419405020     0.813421870     0.270132170 
H12 H     0.828455800     0.044216590     0.633351710 
H13 H     1.197416700     0.361810260     0.747331230 
H14 H     1.212635480     0.584383030     0.220594160 
H15 H     1.581470150     0.901598440     0.335070480 
H16 H     0.988891560     0.130894770     0.698365590 
H17 H     1.358129870     0.448641530     0.812451860 
H18 H     1.372463680     0.670155780     0.286096050 
H19 H     1.741436290     0.987170730     0.401103390 
H20 H     1.146323850     0.214250580     0.764238160 
H21 H     1.516048720     0.532245980     0.878559640 
H22 H     1.529121340     0.752466550     0.352363990 
H23 H     1.898245780     1.068990070     0.468424140 
H24 H     1.299458030     0.293208580     0.830529130 
H25 H     1.669829250     0.611362650     0.945520010 
H26 H     1.683398510     0.831958140     0.419326990 
H27 H     2.052334570     1.146062760     0.539893110 
H28 H     1.449925400     0.367228730     0.901687680 
H29 H     1.826376370     0.693529440     1.011770970 
H30 H     2.072285400     0.997615320     0.799295620 
H31 H     2.174230480     1.207759010     0.493677720 
H32 H     2.315014410     1.409652290     0.276454850 
H33 H     2.325282430     1.580739460    -0.136817800 
H34 H     1.716209970     1.190187350    -0.484993750 
H35 H     1.706253460     1.020509310    -0.074552880 
H36 H     1.953210380     1.580309320    -0.944743220 
H37 H     1.628374420     1.184089320    -0.730269050 
H38 H     2.043141470     1.681640850    -0.910759010 

#END
data_-157.163_g26a_fchk_2_11541_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.1842
_cell_length_b 28.1537
_cell_length_c 14.1279
_cell_angle_alpha 112.0677
_cell_angle_beta 54.3497
_cell_angle_gamma 81.1096
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.879061570     0.135406570     0.896385640 
C2 C     1.113843470     0.153645370     0.795287110 
C3 C     0.980517220     0.218850710     0.873562400 
C4 C     1.213553130     0.237547390     0.773379740 
C5 C     1.080141220     0.302737790     0.851598120 
C6 C     1.313249170     0.321347040     0.751207710 
C7 C     1.180008630     0.386537250     0.829156880 
C8 C     1.412947590     0.405025620     0.728479130 
C9 C     1.279699200     0.470226880     0.806069270 
C10 C     1.512066380     0.488568860     0.705022550 
C11 C     1.378368120     0.553794220     0.782248790 
C12 C     1.609505760     0.571994050     0.680799290 
C13 C     1.475404960     0.637206160     0.757931000 
C14 C     1.709934120     0.654398170     0.654351650 
C15 C     1.502254400     0.748513780     0.681590010 
C16 C     1.308426130     0.850257210     0.738118870 
C17 C     1.170688140     0.907313050     0.838154120 
C18 C     1.055454380     0.953750450     0.830969490 
C19 C     1.074925040     0.944480430     0.722933700 
C20 C     1.212181510     0.887891840     0.623016410 
C21 C     1.328152730     0.841024160     0.630206900 
C22 C     1.011941650     0.984533480     0.609213440 
N1 N     1.586842970     0.716324990     0.724935490 
N2 N     1.418176520     0.805545760     0.753523230 
O1 O     1.498210800     0.728100690     0.589478570 
O2 O     0.954446360     0.993031940     0.724726460 
H1 H     0.979710770     0.088723000     0.837773370 
H2 H     0.962909160     0.142706940     0.959081870 
H3 H     0.510476680     0.161076320     0.971737480 
H4 H     1.033540650     0.144497780     0.731302010 
H5 H     1.482160350     0.126406750     0.719011900 
H6 H     0.611888960     0.246161450     0.949945000 
H7 H     1.060749590     0.228051980     0.937648210 
H8 H     1.133352010     0.228297460     0.709292430 
H9 H     1.582085250     0.210225300     0.697056970 
H10 H     0.711605470     0.330072830     0.927958860 
H11 H     1.160595200     0.312003590     0.915613480 
H12 H     1.233001390     0.312018090     0.687128920 
H13 H     1.681764970     0.294020230     0.674889640 
H14 H     0.811447640     0.413875870     0.905567410 
H15 H     1.260797320     0.395884850     0.893085520 
H16 H     1.332544410     0.395570510     0.664434260 
H17 H     1.781473240     0.377716380     0.652158440 
H18 H     0.911070730     0.497547610     0.882571690 
H19 H     1.361065670     0.479704220     0.869842990 
H20 H     1.431334230     0.478932810     0.641054350 
H21 H     1.880630620     0.461321840     0.628693330 
H22 H     1.009636710     0.581071820     0.858911290 
H23 H     1.460894190     0.563465050     0.845686960 
H24 H     1.527790470     0.562129070     0.617055100 
H25 H     1.978089250     0.544824860     0.604418370 
H26 H     1.107147110     0.664819300     0.834659130 
H27 H     1.564582860     0.647144060     0.819348020 
H28 H     1.629453120     0.644999020     0.590574740 
H29 H     2.076436820     0.628438590     0.580744280 
H30 H     1.592471230     0.734117380     0.800105270 
H31 H     1.430903570     0.817591790     0.827527210 
H32 H     1.153613170     0.915376640     0.922835850 
H33 H     0.948833860     0.997788490     0.908241240 
H34 H     1.231239580     0.879162180     0.538020700 
H35 H     1.434359190     0.797330010     0.552612040 
H36 H     0.895655000     1.028085940     0.631577110 
H37 H     1.368240270     0.955522270     0.507165580 
H38 H     0.808927410     0.966105780     0.601729500 

#END
data_-156.931_g26a_fchk_2_12571_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 29.3275
_cell_length_b 17.016
_cell_length_c 4.5068
_cell_angle_alpha 109.005
_cell_angle_beta 32.6125
_cell_angle_gamma 97.3055
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.843623940     0.188577010     0.124386380 
C2 C     0.931992180     0.185005480    -0.218499400 
C3 C     0.940962010     0.274849780    -0.081854580 
C4 C     1.029137570     0.271994620    -0.422645640 
C5 C     1.038149930     0.361801110    -0.286436500 
C6 C     1.126413910     0.358788040    -0.628197350 
C7 C     1.135650440     0.448514450    -0.493416150 
C8 C     1.224059860     0.445272260    -0.836894840 
C9 C     1.233627300     0.534894510    -0.704377280 
C10 C     1.322263050     0.531353310    -1.050580860 
C11 C     1.332217090     0.620866020    -0.921008650 
C12 C     1.421170030     0.616993040    -1.271078550 
C13 C     1.431229010     0.706444890    -1.142623430 
C14 C     1.520746080     0.700940230    -1.498642910 
C15 C     1.591288070     0.793049900    -1.485925240 
C16 C     1.643480900     0.908516030    -1.377828460 
C17 C     1.624763630     0.998690000    -1.129948540 
C18 C     1.674064660     1.033924100    -1.167251630 
C19 C     1.743869750     0.979782050    -1.454540090 
C20 C     1.762769420     0.890117410    -1.701043400 
C21 C     1.713141390     0.854495080    -1.664163960 
C22 C     1.867678790     0.969242180    -1.830903490 
N1 N     1.532297110     0.785198670    -1.387198550 
N2 N     1.590222170     0.878083600    -1.321782720 
O1 O     1.640019000     0.730127800    -1.704299560 
O2 O     1.788723650     1.020591760    -1.469042160 
H1 H     0.839039400     0.123633360     0.017897250 
H2 H     0.788243850     0.219989750     0.612329750 
H3 H     0.834756730     0.225592140     0.011356980 
H4 H     0.986313400     0.151337470    -0.704883870 
H5 H     0.940089630     0.145998310    -0.107677750 
H6 H     0.932870070     0.313956440    -0.192625720 
H7 H     0.886612570     0.308605020     0.404922350 
H8 H     1.083435610     0.238187940    -0.909267310 
H9 H     1.037172940     0.232891210    -0.311610220 
H10 H     1.030094430     0.400930520    -0.397273730 
H11 H     0.983910350     0.395611800     0.200054220 
H12 H     1.180627160     0.324897430    -1.114635640 
H13 H     1.134441670     0.319680440    -0.517143940 
H14 H     1.127556570     0.487662730    -0.603989040 
H15 H     1.081543240     0.482398440    -0.007196860 
H16 H     1.278126660     0.411250950    -1.323027850 
H17 H     1.232107180     0.406183050    -0.725887580 
H18 H     1.225439250     0.574050490    -0.814430880 
H19 H     1.179741430     0.568891020    -0.218630410 
H20 H     1.376103990     0.497149290    -1.536250830 
H21 H     1.330378590     0.492329670    -0.939726620 
H22 H     1.323851360     0.660023180    -1.030107370 
H23 H     1.278728530     0.655008670    -0.436196690 
H24 H     1.474661140     0.582576010    -1.756169840 
H25 H     1.429409860     0.578037030    -1.160710850 
H26 H     1.423109260     0.746002320    -1.251483990 
H27 H     1.379238570     0.740490160    -0.661681100 
H28 H     1.574639100     0.667062190    -1.983362940 
H29 H     1.527944930     0.664092610    -1.377000140 
H30 H     1.492324180     0.838282710    -1.200909210 
H31 H     1.547090560     0.924869460    -1.145250820 
H32 H     1.570762980     1.041803900    -0.904773250 
H33 H     1.659654950     1.103516350    -0.976338240 
H34 H     1.816276670     0.846355980    -1.926172180 
H35 H     1.727995690     0.785096230    -1.855253560 
H36 H     1.892678760     1.013727490    -1.781291420 
H37 H     1.855245400     0.919410390    -1.678653320 
H38 H     1.917134080     0.937919490    -2.307155560 

#END
data_-156.752_g26a_fchk_2_2457_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.8569
_cell_length_b 20.8494
_cell_length_c 13.858
_cell_angle_alpha 80.3337
_cell_angle_beta 62.8302
_cell_angle_gamma 106.1232
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.201580020     0.256846630     0.595117500 
C2 C     0.352023960     0.202729980     0.562335910 
C3 C     0.285880040     0.174865550     0.476247370 
C4 C     0.435356760     0.120691210     0.442887070 
C5 C     0.369107300     0.092791420     0.356880800 
C6 C     0.518526360     0.038571060     0.323736440 
C7 C     0.452281610     0.010513340     0.237848180 
C8 C     0.601389680    -0.043806670     0.205089080 
C9 C     0.534948950    -0.072117500     0.119420800 
C10 C     0.683353280    -0.126621370     0.087260210 
C11 C     0.616335010    -0.155260210     0.001941870 
C12 C     0.763452030    -0.210062720    -0.029391460 
C13 C     0.696035720    -0.238806230    -0.114503170 
C14 C     0.844832580    -0.293618760    -0.144343770 
C15 C     0.477258390    -0.375432210    -0.186983140 
C16 C     0.192432610    -0.451958690    -0.264288730 
C17 C     0.246760610    -0.468415690    -0.363867400 
C18 C    -0.009885320    -0.518951270    -0.362867020 
C19 C    -0.330109590    -0.554774500    -0.261736750 
C20 C    -0.385843130    -0.538791840    -0.162404960 
C21 C    -0.127284820    -0.487791180    -0.163318900 
C22 C    -0.891835500    -0.643008670    -0.167577700 
N1 N     0.783062070    -0.322135470    -0.224828610 
N2 N     0.467171210    -0.399641920    -0.272930200 
O1 O     0.239592060    -0.397877850    -0.087094990 
O2 O    -0.567103840    -0.603688150    -0.269267430 
H1 H     0.252042920     0.275761680     0.656729560 
H2 H     0.307790220     0.303201710     0.518946190 
H3 H    -0.072901250     0.233555740     0.634563730 
H4 H     0.247980130     0.157757660     0.640424020 
H5 H     0.625614130     0.226872020     0.525465150 
H6 H     0.012086670     0.150684790     0.513062420 
H7 H     0.389922500     0.219844600     0.398052390 
H8 H     0.331335130     0.075762120     0.521131710 
H9 H     0.709097880     0.144910270     0.406078290 
H10 H     0.095384620     0.068584960     0.393650680 
H11 H     0.473310170     0.137690700     0.278581650 
H12 H     0.414460470    -0.006282600     0.402086140 
H13 H     0.792255410     0.062795620     0.286935590 
H14 H     0.178563990    -0.013666450     0.274589890 
H15 H     0.556735450     0.055320440     0.159397980 
H16 H     0.497194280    -0.088537050     0.283619520 
H17 H     0.875127700    -0.019599450     0.168265530 
H18 H     0.261220050    -0.096227320     0.156146800 
H19 H     0.639832050    -0.027462000     0.040727070 
H20 H     0.578895730    -0.171170280     0.166066070 
H21 H     0.957126790    -0.102474510     0.050354510 
H22 H     0.342597700    -0.179234710     0.038650290 
H23 H     0.722059280    -0.110861270    -0.077144020 
H24 H     0.658242180    -0.254372420     0.049864150 
H25 H     1.037223160    -0.186022860    -0.066364150 
H26 H     0.422777320    -0.262995770    -0.078395080 
H27 H     0.806442340    -0.195133550    -0.194758190 
H28 H     0.740718410    -0.338233130    -0.066028070 
H29 H     1.118415330    -0.269154690    -0.183889590 
H30 H     0.975594910    -0.305189830    -0.307412110 
H31 H     0.679049960    -0.377196720    -0.352382660 
H32 H     0.493901240    -0.441163440    -0.443252860 
H33 H     0.032006750    -0.531606990    -0.439744490 
H34 H    -0.630445820    -0.565517490    -0.082689210 
H35 H    -0.171638960    -0.475653310    -0.086238120 
H36 H    -1.039707350    -0.678132630    -0.192255760 
H37 H    -0.878802690    -0.675043050    -0.099709140 
H38 H    -1.014788080    -0.608095210    -0.134327450 

#END
data_-156.442_g26a_fchk_5_1229_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,-z
_cell_length_a 25.9686
_cell_length_b 4.151
_cell_length_c 26.4912
_cell_angle_alpha 90.0
_cell_angle_beta 50.0275
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.473460570     0.851412020     0.378748060 
C2 C     0.423479180     0.776013230     0.367971640 
C3 C     0.457011880     0.736017060     0.295231530 
C4 C     0.407442720     0.660528290     0.283915820 
C5 C     0.440942060     0.620721760     0.211202070 
C6 C     0.391267020     0.545564430     0.200002860 
C7 C     0.424622090     0.506038290     0.127324150 
C8 C     0.374791480     0.431605850     0.116294850 
C9 C     0.407945150     0.392681010     0.043659320 
C10 C     0.357902020     0.319525820     0.032850970 
C11 C     0.390835490     0.281640690    -0.039739190 
C12 C     0.340538340     0.210469140    -0.050304160 
C13 C     0.373406600     0.173149880    -0.122853630 
C14 C     0.322123270     0.102815000    -0.132199630 
C15 C     0.327509900     0.238271170    -0.225942320 
C16 C     0.346997190     0.297083810    -0.331435670 
C17 C     0.396515870     0.250762500    -0.399610860 
C18 C     0.389126730     0.376323980    -0.443013450 
C19 C     0.331688840     0.552643500    -0.419433440 
C20 C     0.282221090     0.599217900    -0.351751360 
C21 C     0.289634840     0.472927370    -0.307923450 
C22 C     0.268794080     0.819368930    -0.444028580 
N1 N     0.351995480     0.067608140    -0.200833360 
N2 N     0.358628720     0.162025650    -0.290735710 
O1 O     0.283103640     0.439277320    -0.193574500 
O2 O     0.328960450     0.667098390    -0.466066140 
H1 H     0.448195210     0.879194210     0.431042370 
H2 H     0.510630900     0.658731530     0.359250490 
H3 H     0.500787400     1.074778480     0.353787370 
H4 H     0.385868770     0.968504020     0.389397820 
H5 H     0.395763050     0.555451900     0.394652160 
H6 H     0.484771150     0.956661960     0.268472800 
H7 H     0.494671460     0.543393660     0.273738720 
H8 H     0.369787550     0.853154010     0.305456600 
H9 H     0.379714520     0.439885900     0.310680090 
H10 H     0.468690200     0.841296010     0.184419230 
H11 H     0.478564330     0.427955420     0.189647910 
H12 H     0.353621800     0.738272310     0.221623070 
H13 H     0.363541300     0.324933340     0.226771680 
H14 H     0.452396820     0.726552040     0.100531080 
H15 H     0.462200310     0.313033070     0.105690090 
H16 H     0.337170730     0.624491200     0.138041480 
H17 H     0.347063120     0.210958290     0.143046120 
H18 H     0.435770370     0.613119360     0.016872560 
H19 H     0.445445430     0.199279420     0.021899590 
H20 H     0.320328400     0.512724030     0.054778180 
H21 H     0.330164870     0.098814760     0.059539920 
H22 H     0.418750170     0.501940770    -0.066503420 
H23 H     0.428171360     0.087527170    -0.061680420 
H24 H     0.303075960     0.404413220    -0.028148960 
H25 H     0.312766330    -0.010223900    -0.023686060 
H26 H     0.401345130     0.392657600    -0.149979520 
H27 H     0.409817940    -0.024351800    -0.144976800 
H28 H     0.284644490     0.295293900    -0.110546810 
H29 H     0.295723430    -0.121219690    -0.107142550 
H30 H     0.388160850    -0.098929430    -0.228453610 
H31 H     0.394683940    -0.008254680    -0.312558930 
H32 H     0.441482450     0.114328320    -0.418863100 
H33 H     0.427369220     0.340765410    -0.495627990 
H34 H     0.237147780     0.734280460    -0.331835370 
H35 H     0.251207650     0.509471960    -0.255613880 
H36 H     0.277216280     0.892619860    -0.488284480 
H37 H     0.225905850     0.653966320    -0.415478530 
H38 H     0.257661340     1.032668790    -0.414101540 

#END
data_-156.411_g26a_fchk_2_3698_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.2059
_cell_length_b 13.3124
_cell_length_c 21.3407
_cell_angle_alpha 106.6144
_cell_angle_beta 84.9936
_cell_angle_gamma 79.3016
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.375818430     0.905962630     0.246519280 
C2 C     0.405317600     1.013584770     0.236889150 
C3 C     0.526231600     1.003916170     0.165199260 
C4 C     0.556592420     1.111141940     0.155034670 
C5 C     0.677651470     1.101497760     0.083380760 
C6 C     0.708133950     1.208807660     0.073347840 
C7 C     0.829547970     1.199378070     0.001750980 
C8 C     0.860429960     1.306787440    -0.008078320 
C9 C     0.982547200     1.297639230    -0.079590850 
C10 C     1.014268050     1.405161850    -0.089138560 
C11 C     1.137508290     1.396282460    -0.160542350 
C12 C     1.170706850     1.503906270    -0.169750830 
C13 C     1.294439020     1.495061380    -0.241084940 
C14 C     1.326342310     1.603615530    -0.249050870 
C15 C     1.266366100     1.658505000    -0.348925750 
C16 C     1.288536720     1.688289890    -0.460107080 
C17 C     1.446980700     1.644753960    -0.525682740 
C18 C     1.350472100     1.689293020    -0.574021040 
C19 C     1.091158000     1.779101540    -0.558178240 
C20 C     0.932199340     1.822696990    -0.493150880 
C21 C     1.029461240     1.777906060    -0.444336240 
C22 C     0.776176740     1.914828270    -0.594053980 
N1 N     1.445154000     1.597501170    -0.316434420 
N2 N     1.403116300     1.638230900    -0.413933290 
O1 O     1.013925000     1.724615400    -0.321863960 
O2 O     1.013946140     1.817375900    -0.609220820 
H1 H     0.289584500     0.915160260     0.298102930 
H2 H     0.203648520     0.870238920     0.216413530 
H3 H     0.612154710     0.848500890     0.231991370 
H4 H     0.572527430     1.048864180     0.268800840 
H5 H     0.167269160     1.070332840     0.253169160 
H6 H     0.764515880     0.947131290     0.148847660 
H7 H     0.359019710     0.968603790     0.133215880 
H8 H     0.723666440     1.146414110     0.187062090 
H9 H     0.318252540     1.167865320     0.171389070 
H10 H     0.915953810     1.044756920     0.067004410 
H11 H     0.510531380     1.066310150     0.051336850 
H12 H     0.875047470     1.244000100     0.105451740 
H13 H     0.469788290     1.265522240     0.089706790 
H14 H     1.067787390     1.142601100    -0.014639800 
H15 H     0.662493160     1.164350070    -0.030374650 
H16 H     1.027118930     1.341832110     0.024148840 
H17 H     0.622121840     1.363520280     0.008263860 
H18 H     1.220631230     1.240772470    -0.095983350 
H19 H     0.815587990     1.262880470    -0.111845300 
H20 H     1.180673830     1.439966660    -0.056733440 
H21 H     0.776088080     1.461958960    -0.072856270 
H22 H     1.375281040     1.339249530    -0.176927670 
H23 H     0.970630630     1.362023220    -0.192985460 
H24 H     1.337004800     1.538275670    -0.137108370 
H25 H     0.932788860     1.560813060    -0.153530370 
H26 H     1.532466180     1.438307200    -0.257843820 
H27 H     1.126238560     1.462990190    -0.273785220 
H28 H     1.492728530     1.638502080    -0.216940830 
H29 H     1.087861400     1.659366410    -0.234538500 
H30 H     1.650618670     1.542850570    -0.340199670 
H31 H     1.612386760     1.581716740    -0.431049330 
H32 H     1.648888950     1.574960720    -0.538950210 
H33 H     1.472932350     1.655736090    -0.624614780 
H34 H     0.730599940     1.892116320    -0.479192650 
H35 H     0.905580990     1.811891400    -0.394119310 
H36 H     0.752604640     1.930891860    -0.640870360 
H37 H     0.538603550     1.907659990    -0.572372870 
H38 H     0.853712850     1.981592990    -0.560116380 

#END
data_-156.366_g26a_fchk_2_748_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 20.0096
_cell_length_b 4.4948
_cell_length_c 18.3854
_cell_angle_alpha 128.7348
_cell_angle_beta 119.4896
_cell_angle_gamma 78.6497
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.832668220     0.729776810     0.506180410 
C2 C     0.912051000     0.688401270     0.574179800 
C3 C     0.927968580     0.889771710     0.687128770 
C4 C     1.007240010     0.850100810     0.755812890 
C5 C     1.023192630     1.051570680     0.868751800 
C6 C     1.102530000     1.011839490     0.937321940 
C7 C     1.118677750     1.213464930     1.050349130 
C8 C     1.198126230     1.173884810     1.118767450 
C9 C     1.214563230     1.375954070     1.231941110 
C10 C     1.294189580     1.336900910     1.300190530 
C11 C     1.310965510     1.539839760     1.413549040 
C12 C     1.390848750     1.501936880     1.481664000 
C13 C     1.407713930     1.705298790     1.595035620 
C14 C     1.487963660     1.664167000     1.661692050 
C15 C     1.560395570     1.745283180     1.828307450 
C16 C     1.618117520     1.904007900     2.007203160 
C17 C     1.610487310     2.118549370     2.099181960 
C18 C     1.658737230     2.100518600     2.181515690 
C19 C     1.716316610     1.866009010     2.174286660 
C20 C     1.724164510     1.651512070     2.083068180 
C21 C     1.675578580     1.669669660     2.000002140 
C22 C     1.826997510     1.678380830     2.262466710 
N1 N     1.505721740     1.856595110     1.770174770 
N2 N     1.566781700     1.940240320     1.927330210 
O1 O     1.599532970     1.500608700     1.794766780 
O2 O     1.761117710     1.867479190     2.259609370 
H1 H     0.822875030     0.583994010     0.426086490 
H2 H     0.785490320     0.604967140     0.498247360 
H3 H     0.827867630     1.034188820     0.542066880 
H4 H     0.958077710     0.806654940     0.578599660 
H5 H     0.915983650     0.381086210     0.535320220 
H6 H     0.924049570     1.197428800     0.726109600 
H7 H     0.881924050     0.771608340     0.682788620 
H8 H     1.053233720     0.968108810     0.760050690 
H9 H     1.011108310     0.542429360     0.716789730 
H10 H     1.019308470     1.359236730     0.907789230 
H11 H     0.977252020     0.933466110     0.864566650 
H12 H     1.148439930     1.129667730     0.941391830 
H13 H     1.106391070     0.704164360     0.898287620 
H14 H     1.114760640     1.521106020     1.089377520 
H15 H     1.072862910     1.095385070     1.046358440 
H16 H     1.243892690     1.291473610     1.122564020 
H17 H     1.202006530     0.866250960     1.079770730 
H18 H     1.210561860     1.683502020     1.270901860 
H19 H     1.168957810     1.257892170     1.228263800 
H20 H     1.339736440     1.454206960     1.303587720 
H21 H     1.298137110     1.029409030     1.261326610 
H22 H     1.306804060     1.847180770     1.452366500 
H23 H     1.265731190     1.421663500     1.410368690 
H24 H     1.436061510     1.619235480     1.484524320 
H25 H     1.394914250     1.194694510     1.442980870 
H26 H     1.403809240     2.013047310     1.634525350 
H27 H     1.363822450     1.584327360     1.592968330 
H28 H     1.533585950     1.781668790     1.665515920 
H29 H     1.491274520     1.358818080     1.624642880 
H30 H     1.473763160     2.056279020     1.799429550 
H31 H     1.531371150     2.136400110     1.946553650 
H32 H     1.566071350     2.302278650     2.106239290 
H33 H     1.652880620     2.266328850     2.252527710 
H34 H     1.768067180     1.467038250     2.074838310 
H35 H     1.681857510     1.503013570     1.929587780 
H36 H     1.854260590     1.714658650     2.336010900 
H37 H     1.810298710     1.369189250     2.194677980 
H38 H     1.868570660     1.808605470     2.263341230 

#END
data_-156.350_g26a_fchk_2_8704_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 21.7755
_cell_length_b 4.5372
_cell_length_c 22.8795
_cell_angle_alpha 99.205
_cell_angle_beta 142.7487
_cell_angle_gamma 102.0537
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.946038010     0.542758670     0.185620170 
C2 C     0.838887550     0.198336940     0.121754850 
C3 C     0.726733220     0.211151750     0.047809570 
C4 C     0.619020780    -0.132143960    -0.016446530 
C5 C     0.506911840    -0.119344760    -0.090322120 
C6 C     0.399358600    -0.462787360    -0.154405540 
C7 C     0.287175820    -0.450544810    -0.228236210 
C8 C     0.179900640    -0.794061250    -0.291992720 
C9 C     0.067644100    -0.782479920    -0.365701260 
C10 C    -0.039217960    -1.125945730    -0.428933520 
C11 C    -0.151483840    -1.114858980    -0.502390740 
C12 C    -0.257805340    -1.458028900    -0.564876020 
C13 C    -0.369966570    -1.446876230    -0.638147790 
C14 C    -0.474969370    -1.792507750    -0.699582080 
C15 C    -0.580926660    -1.570130530    -0.718404540 
C16 C    -0.721723880    -1.428971350    -0.773830780 
C17 C    -0.844972640    -1.544330790    -0.867265220 
C18 C    -0.880914800    -1.375127770    -0.852265680 
C19 C    -0.794285120    -1.084212440    -0.742823980 
C20 C    -0.671685910    -0.968446220    -0.649538330 
C21 C    -0.635293440    -1.138679520    -0.664563520 
C22 C    -0.756468780    -0.665472260    -0.625549600 
N1 N    -0.582767260    -1.788660870    -0.769560710 
N2 N    -0.692948660    -1.615452410    -0.796760610 
O1 O    -0.488047620    -1.355686260    -0.613853150 
O2 O    -0.838550190    -0.934578110    -0.736651700 
H1 H     1.024856820     0.526546360     0.237820170 
H2 H     0.919623980     0.591637970     0.124722600 
H3 H     0.976303890     0.778733100     0.243535200 
H4 H     0.868657580     0.150843550     0.184475460 
H5 H     0.812203580    -0.034577550     0.066399700 
H6 H     0.753331430     0.444196170     0.103128920 
H7 H     0.696867410     0.258700690    -0.014998400 
H8 H     0.648992900    -0.179569220     0.046417690 
H9 H     0.592478050    -0.365003550    -0.071741360 
H10 H     0.533430460     0.113545900    -0.035057890 
H11 H     0.476838210    -0.072214350    -0.153263850 
H12 H     0.429525930    -0.509945500    -0.091422110 
H13 H     0.372831020    -0.695617100    -0.209690390 
H14 H     0.313698480    -0.217564590    -0.172987190 
H15 H     0.256827500    -0.403966360    -0.291366120 
H16 H     0.210399880    -0.840718110    -0.228800060 
H17 H     0.153329680    -1.026951420    -0.347303620 
H18 H     0.094235670    -0.549253240    -0.310440290 
H19 H     0.036847580    -0.736830130    -0.429138490 
H20 H    -0.008215890    -1.171783080    -0.365416460 
H21 H    -0.065943280    -1.359050340    -0.484338200 
H22 H    -0.124747470    -0.881175130    -0.447097520 
H23 H    -0.183027650    -1.070922090    -0.566344930 
H24 H    -0.226027070    -1.502332130    -0.500810110 
H25 H    -0.284723150    -1.691460080    -0.620373110 
H26 H    -0.344104420    -1.214279970    -0.583489250 
H27 H    -0.403848190    -1.410485660    -0.703889030 
H28 H    -0.444546460    -1.838817300    -0.636540110 
H29 H    -0.503869440    -2.023560930    -0.757074880 
H30 H    -0.660984960    -1.965479590    -0.855881810 
H31 H    -0.763450710    -1.800940690    -0.881161850 
H32 H    -0.913618450    -1.769995290    -0.952943190 
H33 H    -0.976017850    -1.464008000    -0.924396070 
H34 H    -0.602298540    -0.744345970    -0.563700560 
H35 H    -0.540360560    -1.048233520    -0.592114410 
H36 H    -0.809195500    -0.582645290    -0.639962090 
H37 H    -0.721847740    -0.771341270    -0.571009930 
H38 H    -0.678632840    -0.431169620    -0.581401500 

#END
data_-156.274_g26a_fchk_9_4037_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 +x,-y,1/2+z
3 1/2+x,1/2+y,+z
4 1/2+x,1/2-y,1/2+z
_cell_length_a 47.6736
_cell_length_b 5.4059
_cell_length_c 9.0682
_cell_angle_alpha 90.0
_cell_angle_beta 71.1666
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.181957150     0.995010160     0.398462920 
C2 C     0.203927060     1.156011100     0.275760330 
C3 C     0.223839350     1.311734450     0.342261260 
C4 C     0.245900280     1.473479040     0.220446350 
C5 C     0.265797860     1.629292010     0.286902170 
C6 C     0.287820430     1.791071330     0.164904630 
C7 C     0.307721640     1.947325250     0.231082470 
C8 C     0.329670820     2.109269770     0.108852080 
C9 C     0.349563680     2.266257610     0.174673080 
C10 C     0.371395390     2.428602210     0.052167050 
C11 C     0.391251640     2.586575220     0.117654850 
C12 C     0.412916590     2.749687100    -0.005112990 
C13 C     0.432733500     2.907966270     0.060315420 
C14 C     0.454159900     3.069856320    -0.064485350 
C15 C     0.498484560     3.127807840     0.014611900 
C16 C     0.539798370     3.257422850     0.113283220 
C17 C     0.548641360     3.444194980     0.196273980 
C18 C     0.574630980     3.423945540     0.232204240 
C19 C     0.592639310     3.215196360     0.186114110 
C20 C     0.583973700     3.028672960     0.103841680 
C21 C     0.557777540     3.048951610     0.067415600 
C22 C     0.636001100     2.998297040     0.189115010 
N1 N     0.473209370     3.223415180    -0.005291060 
N2 N     0.513072530     3.293235080     0.081071020 
O1 O     0.507018420     2.917665620    -0.025006780 
O2 O     0.617860040     3.212074580     0.226859230 
H1 H     0.168006430     0.886190530     0.347934010 
H2 H     0.193542430     0.866033460     0.451802020 
H3 H     0.167348260     1.108481600     0.491840920 
H4 H     0.191792100     1.278896640     0.221469920 
H5 H     0.217826230     1.038464820     0.181984810 
H6 H     0.209950480     1.429484340     0.436142930 
H7 H     0.235994950     1.188890410     0.396639290 
H8 H     0.233726620     1.596127400     0.166079840 
H9 H     0.259779170     1.355613080     0.126634310 
H10 H     0.251925430     1.747135940     0.380747850 
H11 H     0.277994870     1.506731850     0.341174140 
H12 H     0.275610410     1.913423370     0.110574790 
H13 H     0.301696260     1.673185550     0.071099910 
H14 H     0.293850520     2.065098260     0.324977970 
H15 H     0.319975340     1.825096600     0.285218570 
H16 H     0.317397300     2.231144980     0.054606780 
H17 H     0.343554670     1.991451530     0.015038530 
H18 H     0.335683120     2.383815830     0.268669750 
H19 H     0.361910240     2.144567620     0.228573080 
H20 H     0.359023720     2.549785930    -0.001921560 
H21 H     0.385307950     2.311019970    -0.041677310 
H22 H     0.377350720     2.703707340     0.211830480 
H23 H     0.403755730     2.465759380     0.171077800 
H24 H     0.400382110     2.869999110    -0.058836370 
H25 H     0.426861450     2.632491410    -0.099034210 
H26 H     0.419011380     3.026041600     0.154415420 
H27 H     0.445784480     2.789146140     0.111171720 
H28 H     0.441913170     3.191464180    -0.118478320 
H29 H     0.468549530     2.952844460    -0.155899010 
H30 H     0.466551700     3.396461960     0.029915480 
H31 H     0.503950410     3.462002440     0.109231260 
H32 H     0.534935520     3.607730900     0.233131290 
H33 H     0.581463820     3.568183210     0.296147690 
H34 H     0.597372710     2.864659160     0.066468670 
H35 H     0.551165140     2.904094480     0.003835090 
H36 H     0.654669650     3.033973960     0.230463380 
H37 H     0.624138640     2.833303090     0.247367530 
H38 H     0.644225120     2.965945410     0.063062720 

#END
data_-155.788_g26a_fchk_19_3709_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 40.2219
_cell_length_b 13.1794
_cell_length_c 4.1424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.564089780     0.073263560     1.135803640 
C2 C     0.568948200     0.185565250     1.055230320 
C3 C     0.604571800     0.211128000     0.953795970 
C4 C     0.609695570     0.323296110     0.872665470 
C5 C     0.645309770     0.348890670     0.771441790 
C6 C     0.650382130     0.461119540     0.690740340 
C7 C     0.685985870     0.486953110     0.589830040 
C8 C     0.690987660     0.599271900     0.509992570 
C9 C     0.726583500     0.625445460     0.409722050 
C10 C     0.731499750     0.737899980     0.331338740 
C11 C     0.767094830     0.764446110     0.232143230 
C12 C     0.771927610     0.877087040     0.155931640 
C13 C     0.807513330     0.903708180     0.057331520 
C14 C     0.811758640     1.016755720    -0.016993040 
C15 C     0.860814590     1.127636780     0.023182090 
C16 C     0.914476860     1.224202490    -0.018800860 
C17 C     0.947378100     1.214644790    -0.127108180 
C18 C     0.971109550     1.286788300    -0.051229470 
C19 C     0.962609040     1.371126020     0.135947570 
C20 C     0.929955280     1.381225710     0.243989620 
C21 C     0.906000800     1.308474520     0.167850950 
C22 C     0.979363400     1.530866400     0.351722230 
N1 N     0.845444180     1.044346780    -0.110108280 
N2 N     0.891914480     1.147112590    -0.106058770 
O1 O     0.847976690     1.177817180     0.237308160 
O2 O     0.987739770     1.438167000     0.198385500 
H1 H     0.538479350     0.057170900     1.207831040 
H2 H     0.569906320     0.025330940     0.927601510 
H3 H     0.580372740     0.049925730     1.334002900 
H4 H     0.562157580     0.231940650     1.264864360 
H5 H     0.551850520     0.207496370     0.861241620 
H6 H     0.621709960     0.189209890     1.147800100 
H7 H     0.611393020     0.164740060     0.743973350 
H8 H     0.602850020     0.369615070     1.082529820 
H9 H     0.592554170     0.345146040     0.678666720 
H10 H     0.662459030     0.327025080     0.965356890 
H11 H     0.652160060     0.302653910     0.561429460 
H12 H     0.643497670     0.507318700     0.900750870 
H13 H     0.633238600     0.482958840     0.496756360 
H14 H     0.703138810     0.465048240     0.783675550 
H15 H     0.692872990     0.440904530     0.379518370 
H16 H     0.684041980     0.645263200     0.720281390 
H17 H     0.673852760     0.621138500     0.315977990 
H18 H     0.743731110     0.603433530     0.603495670 
H19 H     0.733528310     0.579709990     0.198919700 
H20 H     0.724467500     0.783570150     0.542082970 
H21 H     0.714395420     0.759862520     0.137210440 
H22 H     0.784227140     0.742230170     0.425794240 
H23 H     0.774121220     0.719265530     0.020497450 
H24 H     0.764791650     0.922248460     0.367594130 
H25 H     0.754860030     0.899207250    -0.038235560 
H26 H     0.824814180     0.881903150     0.249900520 
H27 H     0.814584610     0.860591000    -0.157756620 
H28 H     0.804850950     1.062586950     0.192809560 
H29 H     0.795400530     1.038149090    -0.215822040 
H30 H     0.856483710     1.005020420    -0.288582810 
H31 H     0.899994600     1.100580680    -0.282352380 
H32 H     0.954453360     1.149662980    -0.272911130 
H33 H     0.996505160     1.279362440    -0.134624120 
H34 H     0.922526390     1.445542570     0.389128540 
H35 H     0.880773090     1.316669850     0.251854800 
H36 H     1.002614600     1.572230900     0.379798070 
H37 H     0.962173760     1.575893600     0.204607990 
H38 H     0.968284690     1.518004540     0.590003270 

#END
data_-155.612_g26a_fchk_2_7490_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 8.5761
_cell_length_b 4.5394
_cell_length_c 32.1306
_cell_angle_alpha 80.8389
_cell_angle_beta 89.8463
_cell_angle_gamma 114.4443
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.938050350     0.350345770     0.746928100 
C2 C     0.913752820     0.107947880     0.787974610 
C3 C     0.874753950     0.226676840     0.827073850 
C4 C     0.850222270    -0.014066840     0.868305270 
C5 C     0.811336790     0.104632800     0.907401910 
C6 C     0.787025580    -0.136359720     0.948600830 
C7 C     0.748338600    -0.018084630     0.987756570 
C8 C     0.724476580    -0.259308250     1.028906370 
C9 C     0.686176750    -0.141506720     1.068147210 
C10 C     0.663078470    -0.382883140     1.109236190 
C11 C     0.625403120    -0.265383420     1.148567740 
C12 C     0.603456510    -0.506682520     1.189596440 
C13 C     0.566104590    -0.389128990     1.228929850 
C14 C     0.545038790    -0.634028200     1.269568420 
C15 C     0.638024840    -0.282131980     1.323745870 
C16 C     0.683323630     0.012998300     1.385542560 
C17 C     0.602558340     0.020674980     1.423129810 
C18 C     0.688304670     0.247253440     1.448604630 
C19 C     0.858287080     0.473941130     1.437223920 
C20 C     0.939474670     0.467461190     1.399958440 
C21 C     0.853093950     0.239232460     1.374217460 
C22 C     1.105349960     0.918429010     1.454355240 
N1 N     0.510156670    -0.527673720     1.307546350 
N2 N     0.586512330    -0.224899690     1.361383050 
O1 O     0.781710120    -0.129820390     1.305878690 
O2 O     0.932085800     0.687994700     1.464369310 
H1 H     0.965956450     0.259787970     0.719556880 
H2 H     0.822464350     0.392666690     0.741519840 
H3 H     1.044366650     0.588500660     0.748007940 
H4 H     1.029566480     0.063577170     0.792076440 
H5 H     0.809205420    -0.130343120     0.785697820 
H6 H     0.979323770     0.465195450     0.829386920 
H7 H     0.758847940     0.271176240     0.822997210 
H8 H     0.966132600    -0.058551580     0.872339700 
H9 H     0.745644070    -0.252459680     0.865968070 
H10 H     0.915870750     0.343068970     0.909742520 
H11 H     0.695361920     0.148907170     0.903400590 
H12 H     0.902983470    -0.180765300     0.952562890 
H13 H     0.682452970    -0.374736650     0.946258230 
H14 H     0.852830990     0.220425180     0.990089480 
H15 H     0.632244810     0.025885190     0.983851020 
H16 H     0.840531890    -0.303526800     1.032747360 
H17 H     0.619894490    -0.497703520     1.026580000 
H18 H     0.790613390     0.097162730     1.070443940 
H19 H     0.569887860    -0.098062450     1.064397940 
H20 H     0.779300210    -0.426752050     1.112895970 
H21 H     0.558459920    -0.621343900     1.106967210 
H22 H     0.729739630    -0.026434610     1.150791090 
H23 H     0.508776080    -0.222985200     1.145078200 
H24 H     0.720056200    -0.549704050     1.192991380 
H25 H     0.498852210    -0.745266730     1.187407430 
H26 H     0.669981530    -0.150498970     1.231443430 
H27 H     0.447979570    -0.352341530     1.226205360 
H28 H     0.660824360    -0.677897350     1.273401340 
H29 H     0.438074580    -0.868844820     1.267833180 
H30 H     0.393411500    -0.651285060     1.323186260 
H31 H     0.464583710    -0.366145040     1.373248240 
H32 H     0.470554840    -0.153572050     1.432508030 
H33 H     0.625916690     0.253310750     1.477594280 
H34 H     1.070902010     0.639181840     1.390218720 
H35 H     0.916501280     0.235116330     1.345437270 
H36 H     1.138221470     1.063677760     1.479523750 
H37 H     1.191496320     0.795922510     1.453372590 
H38 H     1.121090990     1.081068340     1.424009270 

#END
data_-155.467_g26a_fchk_4_8995_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 40.0996
_cell_length_b 4.537
_cell_length_c 36.0467
_cell_angle_alpha 90.0
_cell_angle_beta 9.7566
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.305649080     0.871800990     0.455479990 
C2 C     0.200629130     0.681074110     0.599476680 
C3 C     0.122771960     0.858446250     0.717841970 
C4 C     0.017452960     0.669680570     0.862339850 
C5 C    -0.060295030     0.846896410     0.980590020 
C6 C    -0.165384900     0.657626900     1.124818600 
C7 C    -0.243068140     0.834233930     1.243052980 
C8 C    -0.347684990     0.644215170     1.386745810 
C9 C    -0.425163030     0.819967040     1.504843890 
C10 C    -0.528980730     0.628919230     1.647655240 
C11 C    -0.606015130     0.803721460     1.765378870 
C12 C    -0.708637580     0.611436840     1.906904310 
C13 C    -0.785358400     0.785931670     2.024307640 
C14 C    -0.886990560     0.588970410     2.164404600 
C15 C    -1.124853710     0.925172820     2.454506360 
C16 C    -1.327538640     1.267398880     2.715960230 
C17 C    -1.345142060     1.384436590     2.771132950 
C18 C    -1.497795430     1.572765180     2.947602710 
C19 C    -1.638056600     1.650318740     3.074749590 
C20 C    -1.621351450     1.535290150     3.020716040 
C21 C    -1.467544970     1.345126840     2.842874330 
C22 C    -1.929639490     1.919221830     3.379987570 
N1 N    -0.960697230     0.749153660     2.277298790 
N2 N    -1.168071030     1.076453430     2.534238640 
O1 O    -1.222273090     0.940632800     2.532917280 
O2 O    -1.783299760     1.837294110     3.245609840 
H1 H     0.359937300     0.739691160     0.372754840 
H2 H     0.206616830     1.039573380     0.552772590 
H3 H     0.431666110     0.986230490     0.329564770 
H4 H     0.301436010     0.510446760     0.499102010 
H5 H     0.077921470     0.563989150     0.720855840 
H6 H     0.245476150     0.975745090     0.596503240 
H7 H     0.021856010     1.029313830     0.818354110 
H8 H     0.118431980     0.498803110     0.761723170 
H9 H    -0.105213040     0.552502800     0.983618000 
H10 H     0.062328540     0.964167380     0.859359270 
H11 H    -0.161403450     1.017655630     1.081368680 
H12 H    -0.064253450     0.486740480     1.023977700 
H13 H    -0.288036510     0.540455960     1.246077000 
H14 H    -0.120466120     0.951619640     1.121838000 
H15 H    -0.344453410     1.004872410     1.344203360 
H16 H    -0.246275500     0.473347130     1.285506760 
H17 H    -0.470369700     0.527044360     1.508053400 
H18 H    -0.302548280     0.937554210     1.383583500 
H19 H    -0.527004100     0.990381750     1.606604660 
H20 H    -0.427127900     0.458123760     1.545793060 
H21 H    -0.651785440     0.511751500     1.769139680 
H22 H    -0.483366860     0.921659410     1.644018000 
H23 H    -0.708645510     0.973611270     1.868184840 
H24 H    -0.605971560     0.440925550     1.803965260 
H25 H    -0.831550490     0.494169380     2.028574110 
H26 H    -0.663579610     0.904204200     1.904111580 
H27 H    -0.891065890     0.952365420     2.130937090 
H28 H    -0.785791560     0.418740680     2.063378530 
H29 H    -1.012381580     0.478222210     2.289095830 
H30 H    -0.882116420     0.743074440     2.214792290 
H31 H    -1.077043920     1.046823040     2.456185150 
H32 H    -1.237548120     1.326827740     2.674233620 
H33 H    -1.511445850     1.662890740     2.990261400 
H34 H    -1.727231770     1.590797150     3.115521520 
H35 H    -1.455218540     1.256889360     2.801686560 
H36 H    -2.029815890     2.065443970     3.504542980 
H37 H    -1.866002260     2.036821430     3.286518260 
H38 H    -2.011303660     1.726971370     3.459409870 

#END
data_-155.350_g26a_fchk_2_14128_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 28.0699
_cell_length_b 13.7642
_cell_length_c 56.8285
_cell_angle_alpha 84.1783
_cell_angle_beta 6.8998
_cell_angle_gamma 77.9148
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.963930060     0.274834460     0.148880810 
C2 C     1.413557090     0.250509190    -0.087214070 
C3 C     0.737259860     0.437223540     0.220484350 
C4 C     1.180235500     0.414437490    -0.012490420 
C5 C     0.504551630     0.600976900     0.294906750 
C6 C     0.949390410     0.577698410     0.061037810 
C7 C     0.275641670     0.763843840     0.367460040 
C8 C     0.723396880     0.739741170     0.132183700 
C9 C     0.052489840     0.925255390     0.437168850 
C10 C     0.504408980     0.899921070     0.199870210 
C11 C    -0.163102440     1.084583060     0.503133230 
C12 C     0.294068040     1.057613190     0.263263300 
C13 C    -0.372134380     1.241866580     0.565874220 
C14 C     0.101157960     1.211062770     0.318390960 
C15 C    -0.311927820     1.316834830     0.476389450 
C16 C    -0.943167230     1.492762930     0.741095050 
C17 C    -1.724102730     1.707553380     1.106722140 
C18 C    -1.790136130     1.716728020     1.114624940 
C19 C    -1.073335740     1.510362630     0.755189790 
C20 C    -0.294464930     1.296260100     0.390355040 
C21 C    -0.227342740     1.286769660     0.382136120 
C22 C    -0.471631780     1.331645050     0.426748760 
N1 N    -0.515588630     1.383505330     0.597744720 
N2 N    -0.933747360     1.499258980     0.761029720 
O1 O     0.350570140     1.115682690     0.150816020 
O2 O    -1.202100810     1.537232520     0.793828210 
H1 H     1.462101560     0.139293510    -0.078463650 
H2 H     0.332356960     0.445551040     0.463199130 
H3 H     0.741482350     0.260083160     0.248390780 
H4 H     2.057162510     0.076052260    -0.406658950 
H5 H     1.649000750     0.260644750    -0.192472320 
H6 H     0.501109120     0.427244620     0.326062550 
H7 H     0.092758080     0.611920500     0.540353580 
H8 H     1.824873350     0.239667400    -0.332403470 
H9 H     1.416067910     0.424452630    -0.117902340 
H10 H     0.268376720     0.591051460     0.400484630 
H11 H    -0.139884530     0.775780610     0.614709790 
H12 H     1.594285080     0.402777280    -0.258964370 
H13 H     1.185221710     0.587704880    -0.044371130 
H14 H     0.039088850     0.754001030     0.473226500 
H15 H    -0.368799900     0.938816200     0.687223750 
H16 H     1.368641550     0.564572380    -0.187930410 
H17 H     0.959177710     0.749779590     0.026791220 
H18 H    -0.184651720     0.915510120     0.543241060 
H19 H    -0.591880840     1.100488950     0.756830060 
H20 H     1.150065730     0.724391050    -0.120358990 
H21 H     0.739999760     0.910076130     0.094541780 
H22 H    -0.401247860     1.074994060     0.609733220 
H23 H    -0.806909130     1.260176730     0.822410320 
H24 H     0.939948190     0.881552720    -0.056960650 
H25 H     0.529785820     1.067824740     0.157831280 
H26 H    -0.612532060     1.233249110     0.673437440 
H27 H    -1.009099840     1.417842990     0.881560090 
H28 H     0.744171600     1.036435430    -0.000627640 
H29 H     0.313273900     1.227327930     0.224235770 
H30 H    -1.060571400     1.550095400     0.865014280 
H31 H    -1.455013770     1.658269240     1.019417730 
H32 H    -2.287922400     1.869754710     1.389019260 
H33 H    -2.393200680     1.882514000     1.396986520 
H34 H     0.272891510     1.133270860     0.106627810 
H35 H     0.376849220     1.120707480     0.099011390 
H36 H    -0.714531000     1.391411040     0.526240670 
H37 H     0.202045790     1.220512670     0.101037160 
H38 H    -0.357299180     1.229059430     0.377675070 

#END
data_-155.332_g26a_fchk_14_10228_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 38.4436
_cell_length_b 4.4908
_cell_length_c 15.4143
_cell_angle_alpha 90.0
_cell_angle_beta 55.3641
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.743317540     0.351440310     0.270934160 
C2 C     0.702379390     0.532641460     0.331278940 
C3 C     0.662624280     0.338324060     0.388850220 
C4 C     0.621495750     0.517459330     0.449467650 
C5 C     0.581745990     0.323279610     0.506978280 
C6 C     0.540655210     0.502902840     0.567454010 
C7 C     0.500852240     0.309277630     0.624932470 
C8 C     0.459821160     0.489600300     0.685130720 
C9 C     0.419943860     0.296729140     0.742507230 
C10 C     0.378991600     0.477976920     0.802251390 
C11 C     0.339039960     0.285902390     0.859404930 
C12 C     0.298175090     0.468204340     0.918489520 
C13 C     0.258229380     0.276375100     0.975476370 
C14 C     0.217775670     0.463506850     1.033788160 
C15 C     0.166118010     0.141665880     1.033111130 
C16 C     0.105807980    -0.174667850     1.066238410 
C17 C     0.067534170    -0.305128820     1.146404760 
C18 C     0.044285960    -0.479872340     1.122899650 
C19 C     0.058662100    -0.529481460     1.018005580 
C20 C     0.096627600    -0.400194560     0.937930440 
C21 C     0.120124700    -0.224092510     0.961525490 
C22 C     0.048131450    -0.774701850     0.897444770 
N1 N     0.179242810     0.286589570     1.088365160 
N2 N     0.127563470    -0.000828610     1.097064420 
O1 O     0.187173690     0.138920680     0.936880850 
O2 O     0.033553630    -0.705193550     1.002683610 
H1 H     0.771170530     0.495530910     0.230491280 
H2 H     0.745828400     0.206450290     0.324205200 
H3 H     0.744563600     0.209543940     0.211505880 
H4 H     0.701168800     0.681191260     0.276596210 
H5 H     0.702360480     0.677498320     0.388566080 
H6 H     0.662607580     0.193223200     0.331583470 
H7 H     0.663807590     0.189533880     0.443603610 
H8 H     0.620354310     0.666280220     0.394668340 
H9 H     0.621535990     0.662449390     0.506711040 
H10 H     0.581701260     0.178201360     0.449760260 
H11 H     0.582853350     0.174578000     0.561849850 
H12 H     0.539586430     0.651759380     0.512553960 
H13 H     0.540700910     0.647887390     0.624688600 
H14 H     0.500814050     0.164094030     0.567726350 
H15 H     0.501862290     0.160677910     0.679970990 
H16 H     0.458874330     0.638478100     0.630051590 
H17 H     0.459850590     0.634578540     0.742387310 
H18 H     0.419939940     0.151368330     0.685289110 
H19 H     0.420795130     0.148323520     0.797819370 
H20 H     0.378227690     0.626835570     0.746891970 
H21 H     0.378963430     0.622930790     0.859587310 
H22 H     0.339105930     0.140238990     0.802156790 
H23 H     0.339627200     0.137980280     0.915183020 
H24 H     0.297681460     0.616821700     0.862642920 
H25 H     0.298068280     0.613217290     0.975903030 
H26 H     0.257997430     0.130319640     0.918771420 
H27 H     0.258029510     0.131957430     1.032945310 
H28 H     0.216829930     0.611789400     0.978832200 
H29 H     0.217158810     0.602080930     1.092801240 
H30 H     0.161024440     0.287568940     1.167698130 
H31 H     0.112968980     0.016838790     1.175618950 
H32 H     0.055841670    -0.269044090     1.228376800 
H33 H     0.014765870    -0.580723020     1.184772370 
H34 H     0.108661250    -0.433870990     0.855948290 
H35 H     0.149458330    -0.124452510     0.899300060 
H36 H     0.023904580    -0.915461320     0.902880580 
H37 H     0.052066220    -0.573787880     0.852298880 
H38 H     0.078137600    -0.896642360     0.856831230 

#END
data_-154.839_g26a_fchk_14_5081_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.6266
_cell_length_b 10.1076
_cell_length_c 49.5396
_cell_angle_alpha 90.0
_cell_angle_beta 80.0164
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.693366950     0.514616660     0.911508450 
C2 C     0.496269080     0.443638230     0.935076120 
C3 C     0.668198570     0.377765090     0.955184320 
C4 C     0.473038050     0.306480660     0.978839780 
C5 C     0.644848740     0.240548240     0.998936700 
C6 C     0.449249990     0.169212950     1.022559780 
C7 C     0.620520430     0.103044870     1.042669980 
C8 C     0.424313320     0.031562510     1.066231900 
C9 C     0.594863960    -0.035006470     1.086350420 
C10 C     0.397874770    -0.106793840     1.109816060 
C11 C     0.567695230    -0.173917050     1.129921780 
C12 C     0.369851510    -0.246239950     1.153253230 
C13 C     0.539475230    -0.313555520     1.173329470 
C14 C     0.337134200    -0.385454270     1.196441310 
C15 C     0.581027630    -0.381384280     1.236808490 
C16 C     0.858269180    -0.416852620     1.275539730 
C17 C     1.034698200    -0.508140140     1.286533420 
C18 C     1.156105490    -0.477475190     1.309387860 
C19 C     1.104697100    -0.353950380     1.321987850 
C20 C     0.930019950    -0.262655070     1.311154710 
C21 C     0.807236610    -0.293495380     1.288117370 
C22 C     1.179064350    -0.210521800     1.358379330 
N1 N     0.492891960    -0.450982300     1.215794640 
N2 N     0.742420920    -0.456263190     1.252291090 
O1 O     0.517698730    -0.265183750     1.241213670 
O2 O     1.233726050    -0.332875160     1.344441650 
H1 H     0.565144490     0.560538950     0.897457030 
H2 H     0.821952690     0.592477180     0.919212270 
H3 H     0.848019130     0.445665910     0.899637360 
H4 H     0.364679120     0.368560180     0.926778460 
H5 H     0.339382640     0.514198430     0.946240750 
H6 H     0.825315690     0.307107310     0.944031680 
H7 H     0.800003390     0.452838510     0.963500540 
H8 H     0.341218880     0.231497180     0.970503770 
H9 H     0.316037800     0.377193590     0.989980830 
H10 H     0.801928480     0.169852470     0.987800800 
H11 H     0.776529070     0.315500780     1.007296010 
H12 H     0.317428730     0.094359310     1.014185570 
H13 H     0.292257950     0.239934220     1.033697680 
H14 H     0.777700970     0.032388520     1.031533590 
H15 H     0.752048560     0.177862250     1.051087170 
H16 H     0.292528890    -0.043085440     1.057791540 
H17 H     0.267320240     0.102253980     1.077378260 
H18 H     0.752224530    -0.105554490     1.075200940 
H19 H     0.726116160     0.039591540     1.094862450 
H20 H     0.266198700    -0.181147340     1.101274050 
H21 H     0.240879700    -0.036205990     1.120992650 
H22 H     0.725366740    -0.244251830     1.118745040 
H23 H     0.698328160    -0.099671850     1.138594600 
H24 H     0.238563320    -0.320248210     1.144546600 
H25 H     0.212771130    -0.175833450     1.164466270 
H26 H     0.697362790    -0.384255350     1.162330660 
H27 H     0.666160900    -0.240005300     1.182549510 
H28 H     0.205901590    -0.459935840     1.188018290 
H29 H     0.185905330    -0.314759520     1.208037120 
H30 H     0.550859040    -0.546329630     1.212481980 
H31 H     0.781597110    -0.551349420     1.246734840 
H32 H     1.077225420    -0.604600300     1.277020780 
H33 H     1.292072260    -0.547971350     1.317882060 
H34 H     0.885894940    -0.166179470     1.320384680 
H35 H     0.672423990    -0.222502810     1.279808330 
H36 H     1.299378600    -0.214232750     1.375403860 
H37 H     1.258341570    -0.126819360     1.345063290 
H38 H     0.944804130    -0.196976090     1.366380640 

#END
data_-154.810_g26a_fchk_14_10581_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 15.1217
_cell_length_b 4.1762
_cell_length_c 38.5869
_cell_angle_alpha 90.0
_cell_angle_beta 115.4695
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.967020050     0.190201260     0.654158270 
C2 C     0.867195080     0.112410950     0.653255970 
C3 C     0.788161810     0.044412870     0.612777660 
C4 C     0.688013280    -0.033680250     0.611560090 
C5 C     0.608972180    -0.101479750     0.571096450 
C6 C     0.508862530    -0.179198020     0.569945340 
C7 C     0.429648940    -0.246703500     0.529509010 
C8 C     0.329591180    -0.323635790     0.528452570 
C9 C     0.250123730    -0.390525060     0.488049320 
C10 C     0.150112900    -0.466103580     0.487113600 
C11 C     0.070359800    -0.531941130     0.446741860 
C12 C    -0.029638570    -0.605456710     0.445935150 
C13 C    -0.109429210    -0.670716810     0.405584550 
C14 C    -0.208791930    -0.742919450     0.405488740 
C15 C    -0.376643850    -0.662554590     0.355632360 
C16 C    -0.541306320    -0.658270080     0.298851770 
C17 C    -0.590522400    -0.757830490     0.260512700 
C18 C    -0.686205870    -0.665886560     0.238031720 
C19 C    -0.735835270    -0.470860790     0.253294380 
C20 C    -0.687467280    -0.371417920     0.291383620 
C21 C    -0.590933020    -0.463767120     0.314081270 
C22 C    -0.887197880    -0.231224930     0.244454650 
N1 N    -0.286255570    -0.804535370     0.367413440 
N2 N    -0.443840360    -0.761864800     0.319672600 
O1 O    -0.394034660    -0.465670570     0.375269500 
O2 O    -0.830030910    -0.392568310     0.228876290 
H1 H     1.021975690     0.238147020     0.683361550 
H2 H     0.993661500    -0.008858000     0.642793620 
H3 H     0.962641690     0.401429640     0.636708060 
H4 H     0.843391140     0.312025530     0.665669740 
H5 H     0.874072850    -0.095375710     0.671612790 
H6 H     0.781209030     0.252251670     0.594375520 
H7 H     0.811924390    -0.155359450     0.600326240 
H8 H     0.664346010     0.166112530     0.624036280 
H9 H     0.695026530    -0.241515100     0.629962600 
H10 H     0.601957880     0.106280100     0.552683250 
H11 H     0.632563250    -0.301416280     0.558617230 
H12 H     0.485356490     0.020706210     0.582461620 
H13 H     0.515888000    -0.387019980     0.588349930 
H14 H     0.422659590    -0.039008000     0.511088880 
H15 H     0.453024610    -0.446906220     0.516993720 
H16 H     0.306355170    -0.123508110     0.541031500 
H17 H     0.336580340    -0.531480700     0.546848330 
H18 H     0.243228620    -0.182902890     0.469629160 
H19 H     0.273146850    -0.591166740     0.475478190 
H20 H     0.127281580    -0.265598140     0.499780460 
H21 H     0.156973930    -0.674034960     0.505477980 
H22 H     0.063652660    -0.324449160     0.428327640 
H23 H     0.092791510    -0.733353880     0.434095610 
H24 H    -0.051879440    -0.404127770     0.458705480 
H25 H    -0.022964490    -0.813396480     0.464264990 
H26 H    -0.116753430    -0.464148030     0.386986310 
H27 H    -0.088787870    -0.875536770     0.392949960 
H28 H    -0.231965770    -0.543233020     0.418010940 
H29 H    -0.202727510    -0.954791860     0.422921300 
H30 H    -0.274325780    -0.968440690     0.350784460 
H31 H    -0.421310230    -0.926048460     0.306079540 
H32 H    -0.553188230    -0.909520810     0.248149990 
H33 H    -0.724152680    -0.742538550     0.208436370 
H34 H    -0.723693300    -0.220577250     0.304107330 
H35 H    -0.553867400    -0.386356190     0.343533450 
H36 H    -0.958417280    -0.190882430     0.220531360 
H37 H    -0.896550890    -0.376396700     0.266313020 
H38 H    -0.854725700    -0.000278410     0.257015260 

#END
data_-154.804_g26a_fchk_2_13593_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 7.8291
_cell_length_b 4.5333
_cell_length_c 35.5497
_cell_angle_alpha 106.5458
_cell_angle_beta 112.7241
_cell_angle_gamma 84.533
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.588894510     0.315609430     0.255977420 
C2 C     0.529109400     0.414889480     0.215100260 
C3 C     0.484207370     0.142991150     0.175400410 
C4 C     0.424247390     0.239839830     0.134333100 
C5 C     0.379456480    -0.031913440     0.094641320 
C6 C     0.319708360     0.065491240     0.053616250 
C7 C     0.275056870    -0.205820850     0.013877080 
C8 C     0.215755410    -0.107611240    -0.027078480 
C9 C     0.171416040    -0.378330050    -0.066880910 
C10 C     0.112884040    -0.279060110    -0.107740180 
C11 C     0.069103500    -0.549148880    -0.147599630 
C12 C     0.011743600    -0.448682160    -0.188344090 
C13 C    -0.031712740    -0.718522530    -0.228189450 
C14 C    -0.088328960    -0.612447190    -0.268513750 
C15 C    -0.291279160    -1.034547820    -0.323501060 
C16 C    -0.451830970    -1.490064520    -0.383507400 
C17 C    -0.436360860    -1.707681600    -0.419029780 
C18 C    -0.575569500    -1.923494820    -0.445325540 
C19 C    -0.735172110    -1.928397920    -0.436832620 
C20 C    -0.751397760    -1.713221290    -0.401556470 
C21 C    -0.611159310    -1.495262830    -0.375026980 
C22 C    -1.027088960    -2.167138100    -0.456609370 
N1 N    -0.129682900    -0.864678860    -0.306928260 
N2 N    -0.303969800    -1.277779410    -0.358493110 
O1 O    -0.411134370    -0.970770300    -0.308583330 
O2 O    -0.864933070    -2.149800870    -0.464611910 
H1 H     0.620336910     0.514006010     0.283798460 
H2 H     0.479824870     0.178994430     0.255530610 
H3 H     0.712781620     0.174301970     0.260165870 
H4 H     0.638765420     0.557638670     0.216820850 
H5 H     0.407444830     0.561552030     0.212155540 
H6 H     0.605897700    -0.003985960     0.178311150 
H7 H     0.374459930    -0.000049640     0.173650940 
H8 H     0.534017190     0.382994630     0.136123570 
H9 H     0.302568400     0.386753770     0.131445250 
H10 H     0.501093690    -0.178923100     0.097523690 
H11 H     0.269592730    -0.175015990     0.092815670 
H12 H     0.429560580     0.208825410     0.055479000 
H13 H     0.198038340     0.212410470     0.050733900 
H14 H     0.396661790    -0.352921380     0.016764860 
H15 H     0.165012640    -0.349013350     0.011953010 
H16 H     0.325767580     0.035985220    -0.025093900 
H17 H     0.094068020     0.039269460    -0.029976980 
H18 H     0.292992870    -0.525537300    -0.063960890 
H19 H     0.061074060    -0.521641590    -0.068965640 
H20 H     0.223161590    -0.135121550    -0.105572270 
H21 H    -0.008867710    -0.132317780    -0.110695940 
H22 H     0.190632620    -0.696515560    -0.144613590 
H23 H    -0.041760900    -0.692498000    -0.149952060 
H24 H     0.122569270    -0.304453360    -0.185901610 
H25 H    -0.110035850    -0.302038300    -0.191376450 
H26 H     0.089219150    -0.866863310    -0.225506510 
H27 H    -0.144814410    -0.859918000    -0.231355130 
H28 H     0.021446770    -0.469434840    -0.266534610 
H29 H    -0.212330740    -0.473176440    -0.272100400 
H30 H    -0.032520550    -0.924524250    -0.319629210 
H31 H    -0.196299810    -1.308644650    -0.367999000 
H32 H    -0.313362040    -1.707575220    -0.426136250 
H33 H    -0.563673280    -2.091271160    -0.472756060 
H34 H    -0.872950270    -1.710595190    -0.394048200 
H35 H    -0.624335370    -1.329437890    -0.347767200 
H36 H    -1.110948880    -2.354761320    -0.482166370 
H37 H    -0.994423020    -2.217910550    -0.426231840 
H38 H    -1.105232340    -1.953313780    -0.456840670 

#END
data_-154.794_g26a_fchk_18_17601_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 1/2-x,1/2+y,-z
4 -x,-y,+z
_cell_length_a 46.3373
_cell_length_b 11.5011
_cell_length_c 4.1817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.682192280     0.391746880     0.204651550 
C2 C     0.672839810     0.267201990     0.128789620 
C3 C     0.640263010     0.255243070     0.077763200 
C4 C     0.630682490     0.130975080     0.001726020 
C5 C     0.598115170     0.118973620    -0.049107920 
C6 C     0.588581580    -0.005390980    -0.124797500 
C7 C     0.556018190    -0.017671900    -0.175346330 
C8 C     0.546552240    -0.142179340    -0.250289360 
C9 C     0.513990940    -0.154856700    -0.300232820 
C10 C     0.504611130    -0.279571910    -0.373872930 
C11 C     0.472050100    -0.292683960    -0.422775550 
C12 C     0.462761800    -0.417671040    -0.494408080 
C13 C     0.430213450    -0.430878700    -0.542742400 
C14 C     0.421434120    -0.556611510    -0.613349880 
C15 C     0.375772250    -0.657547970    -0.498167540 
C16 C     0.325761470    -0.740607680    -0.459683100 
C17 C     0.296914540    -0.717667280    -0.539733020 
C18 C     0.274779410    -0.787261350    -0.427242310 
C19 C     0.280853990    -0.882421880    -0.230549290 
C20 C     0.309467870    -0.905873560    -0.150415460 
C21 C     0.331812650    -0.835694870    -0.263500930 
C22 C     0.262926550    -1.048082640     0.048857410 
N1 N     0.390537150    -0.571832690    -0.658964200 
N2 N     0.346961840    -0.665144660    -0.583518510 
O1 O     0.387308950    -0.719149480    -0.297655870 
O2 O     0.257573720    -0.945915000    -0.131267060 
H1 H     0.705515590     0.397758220     0.240384420 
H2 H     0.676403740     0.450974260     0.010127300 
H3 H     0.671696030     0.423523250     0.422186420 
H4 H     0.679534260     0.209290460     0.323421370 
H5 H     0.684135670     0.236613300    -0.085698530 
H6 H     0.628932370     0.285835040     0.292321990 
H7 H     0.633540580     0.313184580    -0.117010740 
H8 H     0.637428750     0.073100560     0.196509420 
H9 H     0.642018500     0.100459060    -0.212829810 
H10 H     0.586771990     0.149511840     0.165377270 
H11 H     0.591359940     0.176758440    -0.244032480 
H12 H     0.595367310    -0.063148440     0.070079280 
H13 H     0.599919990    -0.035896030    -0.339341450 
H14 H     0.544672470     0.012913320     0.039076990 
H15 H     0.549220770     0.039918850    -0.370519450 
H16 H     0.553401390    -0.199731150    -0.055217730 
H17 H     0.557881900    -0.172711240    -0.464852270 
H18 H     0.502652850    -0.124151510    -0.085883930 
H19 H     0.507126490    -0.097590580    -0.495817240 
H20 H     0.511551760    -0.336802580    -0.178464230 
H21 H     0.515909720    -0.310197830    -0.588508140 
H22 H     0.460731120    -0.261752640    -0.208561460 
H23 H     0.465084790    -0.236002710    -0.619091780 
H24 H     0.469821370    -0.474380000    -0.298226270 
H25 H     0.474022700    -0.448459120    -0.709035670 
H26 H     0.418721910    -0.400327090    -0.329369220 
H27 H     0.423089350    -0.376485360    -0.742437030 
H28 H     0.428250760    -0.613959340    -0.418697270 
H29 H     0.432059120    -0.586206390    -0.831543720 
H30 H     0.380534070    -0.523152350    -0.825344020 
H31 H     0.339789220    -0.609752880    -0.752394990 
H32 H     0.291769320    -0.644149910    -0.692382710 
H33 H     0.252516700    -0.769494520    -0.488840680 
H34 H     0.314933080    -0.978808420     0.001114250 
H35 H     0.353910560    -0.854246290    -0.200974090 
H36 H     0.241829290    -1.084613990     0.103977180 
H37 H     0.275482200    -1.111620620    -0.088324950 
H38 H     0.274298460    -1.028505470     0.272319810 

#END
data_-154.657_g26a_fchk_14_10857_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 28.23
_cell_length_b 10.4334
_cell_length_c 8.1191
_cell_angle_alpha 90.0
_cell_angle_beta 70.2129
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.218542770     0.587061370     0.406375830 
C2 C     0.187371700     0.648400950     0.305635280 
C3 C     0.134818030     0.589705320     0.350393310 
C4 C     0.103326940     0.650401300     0.250304410 
C5 C     0.050798570     0.591695920     0.294935830 
C6 C     0.019394710     0.652456640     0.194559470 
C7 C    -0.033130800     0.593821310     0.238774520 
C8 C    -0.064389550     0.654608070     0.137893720 
C9 C    -0.116899970     0.596007020     0.181452010 
C10 C    -0.147948030     0.656740880     0.079776590 
C11 C    -0.200414520     0.598066500     0.122485030 
C12 C    -0.231193370     0.658594530     0.019689900 
C13 C    -0.283604610     0.599839170     0.062076900 
C14 C    -0.313630060     0.661689610    -0.042537210 
C15 C    -0.402870290     0.643947010     0.140680680 
C16 C    -0.494207690     0.593376420     0.294885720 
C17 C    -0.533557330     0.513055900     0.289888150 
C18 C    -0.581098680     0.522912580     0.414266420 
C19 C    -0.590764250     0.613762920     0.548140730 
C20 C    -0.551833660     0.693762390     0.554127090 
C21 C    -0.503875150     0.683992390     0.428677990 
C22 C    -0.649814160     0.704095420     0.805919450 
N1 N    -0.363608080     0.607190920    -0.005386940 
N2 N    -0.447005380     0.577258480     0.162797970 
O1 O    -0.398549060     0.728519400     0.238568930 
O2 O    -0.638853360     0.616294480     0.664686500 
H1 H     0.255869120     0.630593350     0.371767510 
H2 H     0.199965510     0.597924170     0.547737540 
H3 H     0.223688000     0.484385450     0.378521960 
H4 H     0.207395740     0.639044380     0.164584930 
H5 H     0.183742980     0.751562660     0.332758700 
H6 H     0.138402180     0.486437680     0.323291700 
H7 H     0.114744670     0.599018890     0.491561440 
H8 H     0.123441870     0.641109170     0.109178240 
H9 H     0.099757830     0.753642910     0.277483020 
H10 H     0.054353620     0.488445600     0.267815580 
H11 H     0.030651000     0.601051150     0.436022520 
H12 H     0.039585310     0.643175130     0.053482380 
H13 H     0.015831060     0.755695230     0.221743180 
H14 H    -0.029580090     0.490558540     0.211731480 
H15 H    -0.053377560     0.603241740     0.379783980 
H16 H    -0.044072150     0.645322140    -0.003100610 
H17 H    -0.067969920     0.757844250     0.165064970 
H18 H    -0.113333060     0.492723350     0.154559390 
H19 H    -0.137307130     0.605543910     0.322326390 
H20 H    -0.127440970     0.647420500    -0.061090730 
H21 H    -0.151588010     0.759969350     0.106906650 
H22 H    -0.196809810     0.494753310     0.095868210 
H23 H    -0.221080990     0.607858890     0.263088230 
H24 H    -0.210403240     0.649082690    -0.121013440 
H25 H    -0.234902490     0.761810990     0.046683020 
H26 H    -0.280353280     0.496534870     0.035544410 
H27 H    -0.304984190     0.611348390     0.201509040 
H28 H    -0.293374760     0.652339980    -0.183117130 
H29 H    -0.318439930     0.763765270    -0.012178860 
H30 H    -0.368131330     0.536285200    -0.082744880 
H31 H    -0.446151570     0.509287080     0.073699010 
H32 H    -0.526769730     0.441847000     0.186913620 
H33 H    -0.611471780     0.460986380     0.410315370 
H34 H    -0.557999020     0.765051040     0.655928890 
H35 H    -0.473883980     0.746047770     0.433950110 
H36 H    -0.689530730     0.691093520     0.881266090 
H37 H    -0.627336300     0.684348370     0.889804750 
H38 H    -0.643371280     0.803360080     0.759453380 

#END
data_-154.553_g26a_fchk_15_20432_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 42.9488
_cell_length_b 4.2194
_cell_length_c 26.0937
_cell_angle_alpha 90.0
_cell_angle_beta 71.0647
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.371017960     0.792654420     0.206885680 
C2 C     0.376493270     0.875439660     0.260398570 
C3 C     0.412442870     0.951567860     0.253736510 
C4 C     0.418184260     1.034704910     0.307037720 
C5 C     0.454123020     1.110635510     0.300398210 
C6 C     0.459810500     1.193392350     0.353760390 
C7 C     0.495736760     1.269038990     0.347249310 
C8 C     0.501348180     1.351005080     0.400700430 
C9 C     0.537262120     1.426053040     0.394369760 
C10 C     0.542778310     1.506664090     0.447945190 
C11 C     0.578683740     1.580684440     0.441810750 
C12 C     0.584101470     1.659239840     0.495540200 
C13 C     0.619993280     1.732688760     0.489452900 
C14 C     0.624817130     1.809832800     0.543711660 
C15 C     0.673648110     1.729200700     0.571902380 
C16 C     0.727431790     1.728525880     0.590651840 
C17 C     0.760251600     1.829314690     0.569311190 
C18 C     0.783629050     1.733308870     0.592114480 
C19 C     0.774844530     1.532836850     0.637195710 
C20 C     0.742270860     1.432128890     0.658679130 
C21 C     0.718672670     1.528577420     0.635692280 
C22 C     0.791381330     1.263564430     0.704463060 
N1 N     0.658792410     1.879299860     0.539157730 
N2 N     0.705234210     1.836531310     0.564849170 
O1 O     0.659984220     1.519495290     0.603429960 
O2 O     0.799634570     1.450832360     0.656818720 
H1 H     0.345181420     0.738949630     0.212821560 
H2 H     0.378279930     0.989297270     0.178106180 
H3 H     0.385603210     0.585770080     0.187953220 
H4 H     0.368257720     0.677972820     0.288917360 
H5 H     0.361071190     1.078678660     0.279082370 
H6 H     0.427904820     0.748286420     0.235037990 
H7 H     0.420710030     1.149197180     0.225193840 
H8 H     0.409892710     0.837047250     0.335558740 
H9 H     0.402719020     1.237978950     0.325703580 
H10 H     0.469596650     0.907436870     0.281719690 
H11 H     0.462420410     1.308440090     0.271915100 
H12 H     0.451479350     0.995610890     0.382242590 
H13 H     0.444343040     1.396652700     0.372422120 
H14 H     0.511214510     1.065903340     0.328548500 
H15 H     0.504072880     1.467123150     0.318839490 
H16 H     0.492954360     1.152980370     0.429112120 
H17 H     0.485889480     1.554291160     0.419371170 
H18 H     0.552735050     1.222984540     0.375617230 
H19 H     0.545659070     1.624597670     0.366083880 
H20 H     0.534295400     1.308233030     0.476243890 
H21 H     0.527350720     1.710046410     0.466647340 
H22 H     0.594142360     1.377733360     0.422962470 
H23 H     0.587167920     1.780033920     0.413755620 
H24 H     0.575508960     1.459949120     0.523643680 
H25 H     0.568710570     1.862644890     0.514302200 
H26 H     0.635626660     1.530706120     0.470715020 
H27 H     0.628548860     1.935510790     0.462390130 
H28 H     0.616464340     1.612247180     0.572018960 
H29 H     0.610161020     2.017259620     0.561698060 
H30 H     0.670529480     2.053567570     0.513944680 
H31 H     0.713996140     2.011224750     0.537659280 
H32 H     0.767544190     1.985209630     0.534310710 
H33 H     0.808961260     1.810915530     0.575615680 
H34 H     0.734629200     1.277114590     0.693541390 
H35 H     0.693505950     1.450161840     0.652482030 
H36 H     0.814319240     1.224692450     0.712853260 
H37 H     0.773877660     1.385765120     0.738944620 
H38 H     0.781005550     1.034341770     0.698606260 

#END
data_-154.537_g26a_fchk_14_7933_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.1788
_cell_length_b 11.8118
_cell_length_c 52.506
_cell_angle_alpha 90.0
_cell_angle_beta 121.9909
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.418985740     0.404408920     0.184582330 
C2 C     0.282615480     0.282156580     0.176045740 
C3 C     0.027866350     0.264316880     0.142107250 
C4 C    -0.110098640     0.142288380     0.133329490 
C5 C    -0.364960280     0.124436870     0.099404350 
C6 C    -0.502886070     0.002369370     0.090681570 
C7 C    -0.758204130    -0.015694030     0.056769640 
C8 C    -0.896275400    -0.137787340     0.048129880 
C9 C    -1.152434100    -0.156123810     0.014236120 
C10 C    -1.290999650    -0.278224990     0.005707810 
C11 C    -1.548402770    -0.296809280    -0.028162430 
C12 C    -1.688045370    -0.418879400    -0.036562090 
C13 C    -1.945886420    -0.437471680    -0.070409150 
C14 C    -2.082601490    -0.560069260    -0.078258780 
C15 C    -2.244856660    -0.661719490    -0.124520720 
C16 C    -2.496513070    -0.739821970    -0.176254160 
C17 C    -2.755737870    -0.718439570    -0.206797460 
C18 C    -2.775741360    -0.787928350    -0.228808210 
C19 C    -2.535737810    -0.881304610    -0.220903080 
C20 C    -2.277015630    -0.902982060    -0.190603070 
C21 C    -2.256749070    -0.833015310    -0.168378750 
C22 C    -2.364868030    -1.046385380    -0.237151610 
N1 N    -2.330075830    -0.580091320    -0.110337480 
N2 N    -2.495788730    -0.665079310    -0.155299220 
O1 O    -1.974920120    -0.725100390    -0.110806710 
O2 O    -2.576760240    -0.944938270    -0.244207320 
H1 H     0.599645110     0.414781480     0.208913300 
H2 H     0.580888390     0.430937490     0.174694690 
H3 H     0.180776320     0.462688340     0.176530660 
H4 H     0.129773660     0.256827460     0.186840260 
H5 H     0.526458690     0.225363590     0.184941660 
H6 H    -0.216335050     0.321122370     0.133176700 
H7 H     0.180606450     0.289653350     0.131281410 
H8 H    -0.262575670     0.117013440     0.144178720 
H9 H     0.134218040     0.085551510     0.142264270 
H10 H    -0.609261900     0.181183970     0.090460770 
H11 H    -0.212531050     0.149611890     0.088545380 
H12 H    -0.654984460    -0.022787540     0.101570600 
H13 H    -0.258547740    -0.054356020     0.099618800 
H14 H    -1.002434210     0.041086800     0.047821710 
H15 H    -0.606123430     0.009272560     0.045867120 
H16 H    -1.047785260    -0.162732660     0.059083220 
H17 H    -0.652023250    -0.194539440     0.057058330 
H18 H    -1.396425440    -0.099245430     0.005292790 
H19 H    -1.000909060    -0.131505260     0.003264440 
H20 H    -1.441683260    -0.302835490     0.016754310 
H21 H    -1.047048190    -0.335071530     0.014605000 
H22 H    -1.791907420    -0.239746250    -0.037092180 
H23 H    -1.397712320    -0.272816460    -0.039238190 
H24 H    -1.837828620    -0.442915170    -0.025391280 
H25 H    -1.444580740    -0.475870630    -0.027700580 
H26 H    -2.190573360    -0.380865340    -0.079521660 
H27 H    -1.795981410    -0.415996370    -0.081658140 
H28 H    -2.233866790    -0.584888930    -0.067348630 
H29 H    -1.840701850    -0.616479620    -0.070123330 
H30 H    -2.552247180    -0.528291230    -0.122258470 
H31 H    -2.708446680    -0.608481010    -0.164199380 
H32 H    -2.944443310    -0.646268480    -0.213379470 
H33 H    -2.976002350    -0.771466000    -0.252377450 
H34 H    -2.087068540    -0.974453600    -0.183700020 
H35 H    -2.055981790    -0.850111450    -0.144974330 
H36 H    -2.439206130    -1.083689280    -0.258571350 
H37 H    -2.060711160    -1.029687660    -0.223870120 
H38 H    -2.436817420    -1.105781320    -0.224897440 

#END
data_-154.473_g26a_fchk_14_2253_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.1798
_cell_length_b 17.0405
_cell_length_c 33.4669
_cell_angle_alpha 90.0
_cell_angle_beta 67.5974
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.719004440     0.264862420     0.643937900 
C2 C     0.637023040     0.352663300     0.646762440 
C3 C     0.702176850     0.389894410     0.602721930 
C4 C     0.620951020     0.477726300     0.605192140 
C5 C     0.686253040     0.514975690     0.561168770 
C6 C     0.605177800     0.602826100     0.563714370 
C7 C     0.670668760     0.640249430     0.519728950 
C8 C     0.590060490     0.728128580     0.522381790 
C9 C     0.656037980     0.765801610     0.478443690 
C10 C     0.576376330     0.853733440     0.481233570 
C11 C     0.643280250     0.891681740     0.437341600 
C12 C     0.565245560     0.979701460     0.440278570 
C13 C     0.632653340     1.017698500     0.396411910 
C14 C     0.553540270     1.105729610     0.400150650 
C15 C     0.801255210     1.212431920     0.347894160 
C16 C     0.994512360     1.311330670     0.287717260 
C17 C     1.036543080     1.322025960     0.244434170 
C18 C     1.206314720     1.387149770     0.221353320 
C19 C     1.339593810     1.443856830     0.240964590 
C20 C     1.298335630     1.433697300     0.283981300 
C21 C     1.127398920     1.368007930     0.307288290 
C22 C     1.608545860     1.568980860     0.235414270 
N1 N     0.616957540     1.143505890     0.358839770 
N2 N     0.819506600     1.243219690     0.308794790 
O1 O     0.936981830     1.242120250     0.370706370 
O2 O     1.503172980     1.506019920     0.215561300 
H1 H     0.670737880     0.239830360     0.675790590 
H2 H     0.560261230     0.232631020     0.629953780 
H3 H     0.990433320     0.253957010     0.623524190 
H4 H     0.792922800     0.383235090     0.661859690 
H5 H     0.366110720     0.362084180     0.668132540 
H6 H     0.973291680     0.380502920     0.581301880 
H7 H     0.546245150     0.359329080     0.587582640 
H8 H     0.776824910     0.508227380     0.620356650 
H9 H     0.349843150     0.487064600     0.626610350 
H10 H     0.957322350     0.505629870     0.539738250 
H11 H     0.530239950     0.484539970     0.546003810 
H12 H     0.761037280     0.633216790     0.578919310 
H13 H     0.334076590     0.612155220     0.585134530 
H14 H     0.941699070     0.630876080     0.498289500 
H15 H     0.514497310     0.609975720     0.504530480 
H16 H     0.745948150     0.758330650     0.537649150 
H17 H     0.318963980     0.737482730     0.543793070 
H18 H     0.927001500     0.756345070     0.457000730 
H19 H     0.499593000     0.735795680     0.463194110 
H20 H     0.732369630     0.883647840     0.496587480 
H21 H     0.305291770     0.863175690     0.502613270 
H22 H     0.914106060     0.882064130     0.415898620 
H23 H     0.486277950     0.862140200     0.422027940 
H24 H     0.721751370     1.009175200     0.455729540 
H25 H     0.294257910     0.989281080     0.461625160 
H26 H     0.903141320     1.008479950     0.374779240 
H27 H     0.472067280     0.989760060     0.381183870 
H28 H     0.709184520     1.135831840     0.415350170 
H29 H     0.281645310     1.115130930     0.420480850 
H30 H     0.504964400     1.120812770     0.339611510 
H31 H     0.697065110     1.213650550     0.292721290 
H32 H     0.934646720     1.278617430     0.228647040 
H33 H     1.238961760     1.395365570     0.187941100 
H34 H     1.398103620     1.476438100     0.300152520 
H35 H     1.095991020     1.360447320     0.340561190 
H36 H     1.732718800     1.611438150     0.209872730 
H37 H     1.387026020     1.596730500     0.260753800 
H38 H     1.794172600     1.549580050     0.249290140 

#END
data_-154.407_g26a_fchk_2_16789_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 14.0759
_cell_length_b 5.4666
_cell_length_c 29.365
_cell_angle_alpha 132.8328
_cell_angle_beta 56.2461
_cell_angle_gamma 137.5279
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.347685200     0.216865900     0.766584630 
C2 C     0.411705030     0.298745930     0.712203750 
C3 C     0.301475280     0.138520660     0.683294670 
C4 C     0.364438640     0.218898670     0.628848670 
C5 C     0.254263270     0.058543470     0.599912500 
C6 C     0.317452170     0.138900900     0.545435120 
C7 C     0.207482580    -0.021609960     0.516357870 
C8 C     0.270982120     0.058444410     0.461811770 
C9 C     0.161277200    -0.102536430     0.432513340 
C10 C     0.225167210    -0.023249950     0.377837180 
C11 C     0.115718630    -0.185182350     0.348260730 
C12 C     0.180018510    -0.107385110     0.293368780 
C13 C     0.070650160    -0.269820590     0.263711780 
C14 C     0.137360020    -0.189318780     0.208854060 
C15 C    -0.017408790    -0.717214560     0.126058210 
C16 C    -0.180216210    -1.164355480     0.049149730 
C17 C    -0.269800660    -1.190647650     0.035823140 
C18 C    -0.346863250    -1.533194420    -0.015019980 
C19 C    -0.336531910    -1.861264110    -0.054295140 
C20 C    -0.247562020    -1.837060420    -0.041410680 
C21 C    -0.169862500    -1.491886610     0.009884160 
C22 C    -0.422951090    -2.545776640    -0.139670890 
N1 N     0.035546900    -0.342499100     0.179535230 
N2 N    -0.105959850    -0.805273870     0.101970910 
O1 O     0.011026110    -0.947419430     0.103218380 
O2 O    -0.416741090    -2.186006970    -0.103244710 
H1 H     0.428584570     0.333723390     0.786267710 
H2 H     0.294763560     0.366165940     0.804175180 
H3 H     0.268933400    -0.114371020     0.751487760 
H4 H     0.467041700     0.154889710     0.675953190 
H5 H     0.492362380     0.631467470     0.728230220 
H6 H     0.220679400    -0.194519950     0.667232970 
H7 H     0.246020440     0.282329770     0.719546350 
H8 H     0.419932110     0.075209440     0.592645430 
H9 H     0.445197260     0.551935590     0.644947120 
H10 H     0.173465790    -0.274474330     0.583823570 
H11 H     0.198813530     0.202373300     0.636082360 
H12 H     0.372999590    -0.004679780     0.509307750 
H13 H     0.398210740     0.471935630     0.561539280 
H14 H     0.126644370    -0.354598920     0.500292270 
H15 H     0.152037610     0.122304270     0.552430610 
H16 H     0.326599840    -0.085020620     0.425809780 
H17 H     0.351729260     0.391453540     0.477898570 
H18 H     0.080382490    -0.435448330     0.416512150 
H19 H     0.105853230     0.041538230     0.468426300 
H20 H     0.280863950    -0.166622980     0.342021430 
H21 H     0.305873260     0.309673360     0.393863350 
H22 H     0.034734730    -0.517922970     0.332384510 
H23 H     0.060406840    -0.040692630     0.383902310 
H24 H     0.235715950    -0.251064730     0.257809560 
H25 H     0.260704260     0.225350710     0.309292380 
H26 H    -0.010639030    -0.602615670     0.247598850 
H27 H     0.016702220    -0.121513520     0.298543450 
H28 H     0.192730540    -0.332636970     0.172948100 
H29 H     0.214997180     0.142470940     0.225050900 
H30 H     0.011408710    -0.157295230     0.196949250 
H31 H    -0.121730200    -0.591707700     0.124759950 
H32 H    -0.279179800    -0.938771350     0.065786820 
H33 H    -0.416075730    -1.553578280    -0.025271080 
H34 H    -0.237019000    -2.085191320    -0.070841800 
H35 H    -0.101131770    -1.474570580     0.019625930 
H36 H    -0.491742140    -2.763569560    -0.175392920 
H37 H    -0.318142640    -2.480596210    -0.162202710 
H38 H    -0.467889240    -2.682029260    -0.111481370 

#END
data_-154.353_g26a_fchk_1_3057_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
_cell_length_a 21.6946
_cell_length_b 8.1459
_cell_length_c 4.5078
_cell_angle_alpha 135.106
_cell_angle_beta 86.5167
_cell_angle_gamma 86.415
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.140588180     0.648461000     0.478674270 
C2 C     0.184374000     0.776888410     0.446517410 
C3 C     0.223724360     0.919990340     0.807739830 
C4 C     0.267688950     1.049159240     0.778515920 
C5 C     0.307007010     1.192349370     1.139713510 
C6 C     0.350890660     1.321553710     1.110059220 
C7 C     0.390209750     1.465131530     1.471174300 
C8 C     0.433936790     1.594508500     1.441057960 
C9 C     0.473227240     1.738749670     1.802231310 
C10 C     0.516701420     1.868540740     1.771737320 
C11 C     0.555899920     2.013700260     2.133246920 
C12 C     0.599011900     2.144280330     2.102720380 
C13 C     0.638122960     2.289744570     2.464370130 
C14 C     0.680754760     2.419097620     2.427612690 
C15 C     0.769442050     2.455031900     2.777212840 
C16 C     0.851487980     2.564400410     3.238463560 
C17 C     0.874450550     2.757118650     3.605575910 
C18 C     0.927173320     2.725761810     3.727444680 
C19 C     0.958652070     2.499617620     3.484884680 
C20 C     0.936055210     2.307252160     3.120097090 
C21 C     0.882912080     2.338641450     2.996626600 
C22 C     1.044724260     2.260891120     3.386162740 
N1 N     0.718332970     2.559897940     2.768969200 
N2 N     0.797669870     2.612028900     3.136464700 
O1 O     0.787782820     2.243811530     2.489593060 
O2 O     1.010245830     2.486468830     3.630530170 
H1 H     0.113018620     0.548082340     0.217517720 
H2 H     0.166896340     0.525549350     0.469612680 
H3 H     0.108017440     0.772725580     0.776771500 
H4 H     0.157006660     0.894241800     0.445449960 
H5 H     0.215517160     0.649111950     0.141437820 
H6 H     0.192599550     1.047964230     1.113299790 
H7 H     0.251134330     0.802673740     0.809084760 
H8 H     0.240244050     1.166301630     0.776934520 
H9 H     0.298794500     0.921087800     0.472951260 
H10 H     0.275915360     1.320399820     1.445338360 
H11 H     0.334499710     1.075268610     1.141242690 
H12 H     0.323373920     1.438438990     1.108141910 
H13 H     0.381990090     1.193465870     0.804481170 
H14 H     0.359121890     1.593119130     1.776827270 
H15 H     0.417816560     1.348320530     1.472910400 
H16 H     0.406293970     1.710985210     1.438644150 
H17 H     0.465052030     1.466479350     1.135554870 
H18 H     0.442122780     1.866549180     2.107835390 
H19 H     0.501021060     1.622375100     1.804272590 
H20 H     0.488862960     1.984431560     1.768663570 
H21 H     0.547873360     1.740716350     1.466497830 
H22 H     0.524759120     2.141125350     2.438704150 
H23 H     0.584011610     1.898021090     2.135597210 
H24 H     0.570844480     2.259469930     2.099090660 
H25 H     0.630245750     2.016796590     1.797825460 
H26 H     0.607343350     2.417958320     2.771116300 
H27 H     0.667355540     2.175407800     2.464665480 
H28 H     0.653172160     2.535331980     2.425488390 
H29 H     0.712917960     2.291795690     2.129209110 
H30 H     0.703911680     2.734101230     3.012608900 
H31 H     0.778394560     2.782671350     3.353533970 
H32 H     0.850612510     2.934164380     3.798213670 
H33 H     0.944916010     2.874515730     4.010584950 
H34 H     0.959250070     2.129906100     2.925247920 
H35 H     0.865602160     2.189258640     2.714330370 
H36 H     1.083400710     2.289651190     3.554588420 
H37 H     1.016301610     2.145650680     3.360400400 
H38 H     1.063229760     2.176232610     3.066348400 

#END
data_-154.146_g26a_fchk_14_7821_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.2146
_cell_length_b 35.2339
_cell_length_c 14.908
_cell_angle_alpha 90.0
_cell_angle_beta 92.5463
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.123942700     0.156664520     0.196680790 
C2 C     0.227926400     0.155480140     0.296268830 
C3 C     0.314754960     0.115531860     0.329410140 
C4 C     0.419111400     0.114037220     0.428961970 
C5 C     0.505746440     0.074102570     0.462129790 
C6 C     0.609724820     0.072671980     0.561721700 
C7 C     0.696117330     0.032762010     0.595098430 
C8 C     0.799308960     0.031421720     0.694753160 
C9 C     0.885162800    -0.008459580     0.728430820 
C10 C     0.987008940    -0.009686150     0.828188220 
C11 C     1.071902140    -0.049542150     0.862200970 
C12 C     1.171711450    -0.050649720     0.962111690 
C13 C     1.256044990    -0.090487350     0.996191810 
C14 C     1.354416430    -0.090898230     1.096284970 
C15 C     1.314614960    -0.141341760     1.209412250 
C16 C     1.349810090    -0.198208540     1.310964550 
C17 C     1.464044580    -0.235572320     1.316628290 
C18 C     1.395546600    -0.258705120     1.388213850 
C19 C     1.210049620    -0.245096580     1.456672010 
C20 C     1.096138460    -0.207982360     1.451582080 
C21 C     1.164835000    -0.184629640     1.379380430 
C22 C     0.989950020    -0.256458990     1.598805750 
N1 N     1.434620060    -0.128502190     1.130647350 
N2 N     1.429740660    -0.176629960     1.235630420 
O1 O     1.122427990    -0.123103110     1.250626570 
O2 O     1.155065180    -0.270046180     1.524484490 
H1 H     0.062959510     0.185477380     0.174854940 
H2 H     0.312965750     0.146411110     0.154878910 
H3 H    -0.084488680     0.138717620     0.182917190 
H4 H     0.037631780     0.166778140     0.336400570 
H5 H     0.432318070     0.174318930     0.308566720 
H6 H     0.110330040     0.096647970     0.317136790 
H7 H     0.505215020     0.104197280     0.289275790 
H8 H     0.228606350     0.125396620     0.469028220 
H9 H     0.623516000     0.132921830     0.441174430 
H10 H     0.301415780     0.055207730     0.449905480 
H11 H     0.696414170     0.062740280     0.422136140 
H12 H     0.419067640     0.084071280     0.601671320 
H13 H     0.814113450     0.091558660     0.573924240 
H14 H     0.491843170     0.013860770     0.582840290 
H15 H     0.887105060     0.021364040     0.555279650 
H16 H     0.608360400     0.042883270     0.734502640 
H17 H     1.003729740     0.050299610     0.706982230 
H18 H     0.680935530    -0.027360020     0.716076370 
H19 H     1.076677690    -0.019912800     0.688901880 
H20 H     0.795581050     0.001862700     0.867631250 
H21 H     1.191548560     0.009160500     0.840510520 
H22 H     0.867752780    -0.068435160     0.849661510 
H23 H     1.264336520    -0.061069730     0.823179270 
H24 H     0.979313800    -0.038998900     1.001081470 
H25 H     1.376308590    -0.031838050     0.974583990 
H26 H     1.052967450    -0.109561210     0.984059270 
H27 H     1.452334650    -0.102001300     0.958970800 
H28 H     1.163884580    -0.079490350     1.135902410 
H29 H     1.563025550    -0.072956260     1.108311820 
H30 H     1.595189030    -0.143980040     1.098598090 
H31 H     1.588084010    -0.189053810     1.196327920 
H32 H     1.608651250    -0.246646790     1.264104130 
H33 H     1.483519300    -0.287548440     1.392540890 
H34 H     0.952096480    -0.196542420     1.503393320 
H35 H     1.076308380    -0.155936240     1.375785730 
H36 H     0.970468520    -0.280500740     1.644107810 
H37 H     1.120189810    -0.233487520     1.633696370 
H38 H     0.751442190    -0.246426480     1.578296080 

#END
data_-153.993_g26a_fchk_9_6446_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 +x,-y,1/2+z
3 1/2+x,1/2+y,+z
4 1/2+x,1/2-y,1/2+z
_cell_length_a 55.5753
_cell_length_b 4.5899
_cell_length_c 55.6413
_cell_angle_alpha 90.0
_cell_angle_beta 9.1217
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.159094120     0.860212590     0.597185980 
C2 C     0.090063120     1.027442130     0.644141840 
C3 C     0.033396420     0.828114340     0.679877390 
C4 C    -0.035874300     0.993280230     0.726974300 
C5 C    -0.092451920     0.794094540     0.762618460 
C6 C    -0.161537700     0.959756580     0.809541670 
C7 C    -0.218036780     0.761113080     0.845067730 
C8 C    -0.286743490     0.927495490     0.891624790 
C9 C    -0.343041790     0.729596130     0.926889530 
C10 C    -0.411108620     0.896941650     0.972815550 
C11 C    -0.467014800     0.699842380     1.007616250 
C12 C    -0.534124740     0.868302090     1.052580560 
C13 C    -0.589776290     0.671462700     1.087114630 
C14 C    -0.656084780     0.844760850     1.131472800 
C15 C    -0.668202900     0.722457700     1.100402830 
C16 C    -0.715699400     0.537022020     1.105444150 
C17 C    -0.802195610     0.337234820     1.177456130 
C18 C    -0.788648720     0.319169150     1.139370150 
C19 C    -0.687791840     0.501401910     1.027660170 
C20 C    -0.601651040     0.700787660     0.955787480 
C21 C    -0.615113670     0.719075440     0.994006180 
C22 C    -0.581953300     0.648939160     0.885769060 
N1 N    -0.709333070     0.662872330     1.164300440 
N2 N    -0.736087370     0.540368930     1.150672810 
O1 O    -0.578858870     0.916201520     1.007199270 
O2 O    -0.682291680     0.467290930     0.997841080 
H1 H     0.198779190     1.007645230     0.572142590 
H2 H     0.075942150     0.712363770     0.687234460 
H3 H     0.255939420     0.728687330     0.495851740 
H4 H     0.174385430     1.179022320     0.553656230 
H5 H    -0.004382790     1.162194960     0.743693720 
H6 H     0.127842780     0.693118300     0.580303510 
H7 H    -0.051011740     0.676289060     0.770437580 
H8 H     0.048574270     1.145143710     0.636397390 
H9 H    -0.130298840     1.128172300     0.826540110 
H10 H     0.001937770     0.659112980     0.663086990 
H11 H    -0.176992220     0.642336820     0.853270810 
H12 H    -0.076985140     1.111671590     0.718899970 
H13 H    -0.255952270     1.094644650     0.909100360 
H14 H    -0.123668480     0.626027600     0.745563330 
H15 H    -0.302770780     0.609428740     0.935864040 
H16 H    -0.201999620     1.079460540     0.800856690 
H17 H    -0.381180500     1.062373740     0.991197080 
H18 H    -0.248676300     0.594341130     0.827410060 
H19 H    -0.428094400     0.578058590     1.017923370 
H20 H    -0.326058000     1.048933220     0.881837070 
H21 H    -0.505627280     1.031782890     1.072438380 
H22 H    -0.372647630     0.564299840     0.908179600 
H23 H    -0.552618450     0.548704730     1.099067050 
H24 H    -0.448499800     1.020133390     0.961163650 
H25 H    -0.628708300     1.003186700     1.152222760 
H26 H    -0.496036500     0.535453030     0.988157200 
H27 H    -0.677550960     0.523497390     1.180361560 
H28 H    -0.571523440     0.996129650     1.040900450 
H29 H    -0.752670540     0.973129970     1.232935550 
H30 H    -0.784411710     0.503700940     1.241983660 
H31 H    -0.808177800     0.387963540     1.228051170 
H32 H    -0.881209390     0.193905500     1.264574050 
H33 H    -0.855323090     0.164824580     1.194872110 
H34 H    -0.522596540     0.845102990     0.868922550 
H35 H    -0.548291550     0.873787130     0.938138160 
H36 H    -0.594517850     0.586319340     0.879392350 
H37 H    -0.611399780     0.879654520     0.916844740 
H38 H    -0.463789090     0.616252420     0.774783320 

#END
data_-153.893_g26a_fchk_18_13159_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 1/2-x,1/2+y,-z
4 -x,-y,+z
_cell_length_a 10.1908
_cell_length_b 48.3871
_cell_length_c 4.5558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.948663260     0.407866540     0.272562300 
C2 C     1.023137140     0.430038790     0.444448520 
C3 C     1.092362140     0.451031960     0.246458690 
C4 C     1.167157960     0.473303090     0.416277920 
C5 C     1.236439480     0.494283560     0.218421860 
C6 C     1.311279150     0.516518650     0.388723490 
C7 C     1.380796040     0.537507370     0.191399310 
C8 C     1.455769400     0.559675290     0.362389880 
C9 C     1.525684290     0.580664780     0.165785470 
C10 C     1.600941140     0.602727470     0.337682600 
C11 C     1.671402070     0.623694940     0.141833550 
C12 C     1.747163770     0.645611560     0.314755650 
C13 C     1.817809630     0.666546290     0.119140910 
C14 C     1.893104730     0.688214960     0.296880120 
C15 C     1.895067070     0.729743250    -0.014955410 
C16 C     1.937006590     0.769770280    -0.353218880 
C17 C     2.030478690     0.781065180    -0.544872780 
C18 C     2.003015500     0.804451710    -0.708412400 
C19 C     1.880612290     0.817300190    -0.685306890 
C20 C     1.787164970     0.806170890    -0.495700950 
C21 C     1.814773160     0.782596570    -0.330446540 
C22 C     1.739490130     0.853793320    -0.840361350 
N1 N     1.961827980     0.708342460     0.116171350 
N2 N     1.973190410     0.745981150    -0.194098570 
O1 O     1.778430460     0.733839870     0.028201700 
O2 O     1.862733420     0.840280040    -0.855294330 
H1 H     0.900387840     0.393145530     0.419103670 
H2 H     0.873080750     0.417125580     0.133107010 
H3 H     1.014989920     0.396204750     0.129914850 
H4 H     1.095848150     0.420179400     0.587649540 
H5 H     0.955081650     0.440981100     0.590195180 
H6 H     1.160516850     0.440102500     0.100464130 
H7 H     1.019659420     0.460911530     0.103017990 
H8 H     1.239767860     0.463404030     0.559756530 
H9 H     1.098946570     0.484221940     0.562167740 
H10 H     1.304634890     0.483370590     0.072445390 
H11 H     1.163864390     0.504205210     0.075056400 
H12 H     1.383753300     0.506581760     0.532249360 
H13 H     1.243058950     0.527434400     0.534608730 
H14 H     1.448952440     0.526594850     0.045321260 
H15 H     1.308365460     0.547485850     0.048119660 
H16 H     1.528027460     0.549673000     0.505956590 
H17 H     1.387580310     0.570599410     0.508266150 
H18 H     1.593731100     0.569740930     0.019540400 
H19 H     1.453488370     0.590736240     0.022673340 
H20 H     1.672888680     0.592624830     0.481259630 
H21 H     1.532860340     0.613681470     0.483525200 
H22 H     1.739232860     0.612747030    -0.004694470 
H23 H     1.599584850     0.633923250    -0.000841080 
H24 H     1.818739090     0.635346690     0.458134190 
H25 H     1.679269340     0.656600660     0.460641630 
H26 H     1.886035460     0.655777760    -0.027816390 
H27 H     1.746777800     0.677300970    -0.020180700 
H28 H     1.965201780     0.678235060     0.439867040 
H29 H     1.825002740     0.699632090     0.436383320 
H30 H     2.057680800     0.705302860     0.074194410 
H31 H     2.068322720     0.740618660    -0.213495820 
H32 H     2.126113530     0.771366570    -0.565882100 
H33 H     2.075195260     0.813178060    -0.856139710 
H34 H     1.691477210     0.815580690    -0.472596610 
H35 H     1.742127310     0.774060400    -0.184233210 
H36 H     1.746088790     0.871347480    -0.989129410 
H37 H     1.659552490     0.840195800    -0.911508020 
H38 H     1.718782910     0.861253110    -0.617941950 

#END
data_-153.625_g26a_fchk_19_10979_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 46.0598
_cell_length_b 4.9073
_cell_length_c 10.1785
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.584658810     0.870279470     0.212273810 
C2 C     0.559681720     0.976936680     0.296945870 
C3 C     0.541688290     0.749235980     0.359675390 
C4 C     0.516644250     0.853787030     0.444588190 
C5 C     0.498640960     0.626214370     0.507249710 
C6 C     0.473591710     0.731249190     0.592010890 
C7 C     0.455528780     0.504095550     0.654662180 
C8 C     0.430462140     0.609828460     0.739114360 
C9 C     0.412305120     0.383239250     0.801680250 
C10 C     0.387198310     0.489891310     0.885616670 
C11 C     0.368922840     0.263899240     0.947950460 
C12 C     0.343740530     0.371588940     1.031124500 
C13 C     0.325433080     0.145817260     1.093265190 
C14 C     0.300353000     0.258376660     1.175711220 
C15 C     0.260922150    -0.079295400     1.164902500 
C16 C     0.221779770    -0.429786430     1.195962790 
C17 C     0.211834650    -0.630200850     1.283359390 
C18 C     0.189445310    -0.804210010     1.249140960 
C19 C     0.176243770    -0.782814380     1.125928070 
C20 C     0.185975780    -0.583890700     1.038650210 
C21 C     0.208571830    -0.408392380     1.072997740 
C22 C     0.140341360    -0.948600120     0.977291840 
N1 N     0.282474210     0.047842750     1.235569410 
N2 N     0.244747550    -0.261730570     1.238470980 
O1 O     0.257023770    -0.034832120     1.048202780 
O2 O     0.154345340    -0.963717040     1.101099420 
H1 H     0.597105490     1.036915720     0.168583640 
H2 H     0.599655490     0.746524020     0.270537570 
H3 H     0.576550450     0.742465020     0.132172840 
H4 H     0.545414410     1.105659700     0.237072240 
H5 H     0.568327410     1.109046230     0.374513370 
H6 H     0.533021600     0.616858490     0.282122300 
H7 H     0.555951200     0.620262340     0.419625100 
H8 H     0.502406180     0.982845500     0.384581940 
H9 H     0.525327620     0.986097760     0.522106220 
H10 H     0.489960400     0.493819500     0.429758710 
H11 H     0.512863080     0.497217400     0.567351970 
H12 H     0.459392990     0.860438230     0.531879770 
H13 H     0.482277950     0.863562370     0.669517620 
H14 H     0.446857750     0.371616270     0.577180380 
H15 H     0.469701860     0.375059030     0.714978420 
H16 H     0.416328150     0.739201670     0.678759470 
H17 H     0.439139410     0.742113850     0.816648440 
H18 H     0.403662960     0.250649570     0.724173650 
H19 H     0.426397930     0.254163130     0.862348500 
H20 H     0.373160070     0.619494640     0.824909260 
H21 H     0.395844250     0.622076680     0.963249280 
H22 H     0.360337460     0.131136770     0.870389410 
H23 H     0.382881510     0.134901540     1.009225450 
H24 H     0.329833180     0.501338410     0.969795950 
H25 H     0.352336050     0.503718960     1.108858410 
H26 H     0.316716120     0.012305300     1.016364030 
H27 H     0.339014810     0.018912270     1.156821570 
H28 H     0.286254370     0.387224460     1.115478420 
H29 H     0.308954690     0.384094090     1.255114210 
H30 H     0.284992650     0.009190730     1.331978700 
H31 H     0.249909580    -0.281716120     1.334173150 
H32 H     0.221813390    -0.649887590     1.379553370 
H33 H     0.181787590    -0.959000280     1.316559440 
H34 H     0.176241390    -0.561637630     0.942572910 
H35 H     0.216007830    -0.254765600     1.005163310 
H36 H     0.123964140    -1.108577310     0.977564390 
H37 H     0.129740170    -0.750836340     0.962952450 
H38 H     0.155602840    -0.984468360     0.896486410 

#END
data_-153.569_g26a_fchk_4_3134_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 28.812
_cell_length_b 4.1517
_cell_length_c 13.1882
_cell_angle_alpha 90.0
_cell_angle_beta 44.3764
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.874784420     1.007404330     0.973037450 
C2 C     0.864915190     0.949033740     1.101982380 
C3 C     0.793365710     0.861350450     1.241254700 
C4 C     0.782963850     0.802464590     1.370909660 
C5 C     0.711434280     0.714994680     1.510178760 
C6 C     0.701137320     0.656534790     1.639722430 
C7 C     0.629630740     0.569418430     1.779188280 
C8 C     0.619479200     0.511818370     1.908578460 
C9 C     0.547992340     0.425399780     2.048340990 
C10 C     0.538019220     0.369252030     2.177560980 
C11 C     0.466540140     0.283972330     2.317663430 
C12 C     0.456745030     0.230001230     2.446751340 
C13 C     0.385287830     0.145325960     2.586883570 
C14 C     0.376675490     0.093166740     2.714492590 
C15 C     0.280024680     0.157338010     2.977692340 
C16 C     0.173476950     0.140225070     3.242763220 
C17 C     0.107320640     0.036862510     3.339638320 
C18 C     0.061141950     0.124967570     3.484250920 
C19 C     0.079827810     0.319837930     3.536641480 
C20 C     0.145496170     0.423041670     3.441086580 
C21 C     0.192111340     0.334568480     3.295176010 
C22 C     0.049320970     0.551259010     3.743046760 
N1 N     0.309040070     0.013672370     2.849514270 
N2 N     0.217220330     0.040407330     3.097212030 
O1 O     0.307585420     0.369758730     2.982885270 
O2 O     0.030745160     0.394197010     3.680928230 
H1 H     0.926222820     1.069970510     0.875207600 
H2 H     0.862014880     0.792663310     0.948987750 
H3 H     0.843253810     1.204399190     0.995462190 
H4 H     0.879632480     1.164678260     1.121405650 
H5 H     0.898090030     0.755775480     1.075505470 
H6 H     0.760110180     1.054636250     1.267870510 
H7 H     0.778586360     0.645523230     1.221919440 
H8 H     0.797791830     1.018314770     1.390099300 
H9 H     0.816225730     0.609170800     1.344215820 
H10 H     0.678156240     0.908204180     1.536883790 
H11 H     0.696596280     0.499013430     1.491089510 
H12 H     0.716043450     0.872499070     1.658667640 
H13 H     0.734403510     0.463253250     1.613010950 
H14 H     0.596344920     0.762552310     1.805867590 
H15 H     0.614718100     0.353182680     1.760408980 
H16 H     0.634508470     0.728006680     1.927118600 
H17 H     0.652728070     0.318513460     1.881921870 
H18 H     0.514716580     0.618441050     2.074899050 
H19 H     0.532962750     0.208747050     2.030065960 
H20 H     0.553222860     0.585813710     2.195499660 
H21 H     0.571206720     0.175858940     2.151098180 
H22 H     0.433293840     0.476850230     2.343974110 
H23 H     0.451344620     0.066601680     2.300216920 
H24 H     0.472159240     0.447358500     2.463836370 
H25 H     0.489859300     0.036607330     2.420561090 
H26 H     0.351700560     0.337242870     2.614157280 
H27 H     0.369989530    -0.075081500     2.571719120 
H28 H     0.391626120     0.308850590     2.733004910 
H29 H     0.408348740    -0.104831520     2.689916290 
H30 H     0.285412280    -0.163098740     2.848719070 
H31 H     0.199452080    -0.135679080     3.079946790 
H32 H     0.091868750    -0.114771910     3.300966370 
H33 H     0.010077740     0.045383400     3.558975260 
H34 H     0.161642990     0.573875820     3.477997070 
H35 H     0.242852350     0.414878050     3.221727110 
H36 H     0.003520900     0.588977010     3.856721450 
H37 H     0.083165910     0.402788320     3.735470810 
H38 H     0.072750020     0.784690190     3.691402060 

#END
data_-153.553_g26a_fchk_2_3088_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 32.6633
_cell_length_b 27.2338
_cell_length_c 5.7736
_cell_angle_alpha 76.0164
_cell_angle_beta 116.0439
_cell_angle_gamma 161.5511
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.422632870     0.464545470     0.596802140 
C2 C     0.257514790     0.293629080     0.532453780 
C3 C     0.267158680     0.349997580     0.652666930 
C4 C     0.102607910     0.180032810     0.589454160 
C5 C     0.112246910     0.236360140     0.709775020 
C6 C    -0.052373670     0.066214800     0.646593710 
C7 C    -0.042995880     0.122198450     0.767048430 
C8 C    -0.207646060    -0.048155690     0.704131450 
C9 C    -0.198572800     0.007395930     0.824974590 
C10 C    -0.363184250    -0.163179770     0.762700900 
C11 C    -0.354326600    -0.108009700     0.884318780 
C12 C    -0.518768350    -0.278750080     0.823269190 
C13 C    -0.509869350    -0.223618660     0.945295980 
C14 C    -0.675539700    -0.396519150     0.882234290 
C15 C    -0.709685170    -0.342239740     0.816178360 
C16 C    -0.720600350    -0.264665280     0.849051990 
C17 C    -0.680055640    -0.190796890     1.057741690 
C18 C    -0.709007010    -0.170180000     0.958181570 
C19 C    -0.779589600    -0.222916560     0.645484360 
C20 C    -0.819933370    -0.296116710     0.436954440 
C21 C    -0.790931820    -0.317135490     0.536967410 
C22 C    -0.887973520    -0.263783600     0.246115130 
N1 N    -0.670313290    -0.347956130     0.997336510 
N2 N    -0.687594020    -0.281572270     0.969413910 
O1 O    -0.760945150    -0.388981510     0.545155350 
O2 O    -0.803528620    -0.197396030     0.569399020 
H1 H     0.412343100     0.420361120     0.509093080 
H2 H     0.442882820     0.519416590     0.474023070 
H3 H     0.541488300     0.587559700     0.858390680 
H4 H     0.237804050     0.238292360     0.651069910 
H5 H     0.140074590     0.170922180     0.269848800 
H6 H     0.384667360     0.472816430     0.915518290 
H7 H     0.286897020     0.405417520     0.534080390 
H8 H     0.082925620     0.124648400     0.707948890 
H9 H    -0.014813000     0.057309060     0.326604900 
H10 H     0.229682240     0.359118070     0.972606460 
H11 H     0.131786400     0.291607330     0.591167990 
H12 H    -0.071931670     0.010915870     0.765008330 
H13 H    -0.169780360    -0.056496830     0.383746540 
H14 H     0.074481430     0.245015890     1.029854720 
H15 H    -0.023719780     0.177221480     0.648368560 
H16 H    -0.226968990    -0.103281830     0.822463890 
H17 H    -0.325080860    -0.170887120     0.441303290 
H18 H    -0.080980070     0.130347560     1.087717700 
H19 H    -0.179740270     0.062035790     0.706158410 
H20 H    -0.382120770    -0.218008810     0.880973980 
H21 H    -0.480718840    -0.285980940     0.499936150 
H22 H    -0.236520450     0.015183840     1.146923050 
H23 H    -0.336314880    -0.054110130     0.765161180 
H24 H    -0.536971340    -0.332966780     0.941803310 
H25 H    -0.636453850    -0.401682470     0.560649550 
H26 H    -0.392576860    -0.100710000     1.207910260 
H27 H    -0.495516740    -0.173350680     0.823107410 
H28 H    -0.694700360    -0.451365570     1.000434750 
H29 H    -0.792070610    -0.516906380     0.620172730 
H30 H    -0.626628530    -0.306690330     1.221440320 
H31 H    -0.644393650    -0.246458340     1.193573510 
H32 H    -0.625055460    -0.148960980     1.301648790 
H33 H    -0.677837010    -0.113312500     1.119170660 
H34 H    -0.874625260    -0.338241040     0.193507000 
H35 H    -0.822264710    -0.373719260     0.374810270 
H36 H    -0.894390690    -0.230693880     0.237265630 
H37 H    -0.812078510    -0.186866060     0.186416120 
H38 H    -1.022574750    -0.422696540     0.066363830 

#END
data_-153.458_g26a_fchk_14_3426_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.6445
_cell_length_b 53.6368
_cell_length_c 8.8591
_cell_angle_alpha 90.0
_cell_angle_beta 90.9534
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.929175710     0.890131820     0.397523910 
C2 C     1.124913690     0.909079450     0.477525570 
C3 C     0.963023530     0.932145110     0.532248580 
C4 C     1.156907010     0.951217490     0.612442010 
C5 C     0.995171620     0.974285310     0.667082620 
C6 C     1.189541740     0.993342920     0.747107590 
C7 C     1.028420400     1.016445260     0.801700240 
C8 C     1.223518400     1.035487090     0.881372360 
C9 C     1.063264170     1.058645010     0.935809040 
C10 C     1.259369170     1.077676940     1.014880250 
C11 C     1.100083860     1.100905060     1.068977020 
C12 C     1.297411450     1.119945120     1.147143190 
C13 C     1.138436230     1.143186890     1.201000770 
C14 C     1.340212570     1.161975980     1.278490620 
C15 C     1.304514010     1.207608810     1.300249760 
C16 C     1.200090040     1.252662790     1.353914430 
C17 C     1.030263870     1.268462730     1.441902280 
C18 C     1.064069640     1.294073630     1.436792400 
C19 C     1.269893430     1.304709790     1.343173530 
C20 C     1.439752940     1.289128380     1.255606710 
C21 C     1.405721230     1.263294670     1.260560940 
C22 C     1.505084850     1.341612500     1.259662420 
N1 N     1.194796460     1.184345330     1.330305330 
N2 N     1.150923510     1.226808730     1.365495550 
O1 O     1.515390890     1.210629740     1.221834220 
O2 O     1.287142670     1.330153320     1.345737830 
H1 H     1.050219910     0.873887720     0.359477420 
H2 H     0.760883100     0.883498540     0.472634760 
H3 H     0.822545250     0.898415050     0.298512090 
H4 H     1.295601180     0.914933730     0.401189340 
H5 H     1.233833910     0.900166890     0.574112100 
H6 H     0.853907490     0.941083080     0.435658990 
H7 H     0.792107280     0.926304080     0.608664150 
H8 H     1.327820760     0.957034550     0.535981430 
H9 H     1.265898480     0.942267320     0.709002690 
H10 H     0.886089240     0.983236550     0.570553380 
H11 H     0.824379630     0.968481680     0.743641910 
H12 H     1.360444920     0.999121170     0.670535440 
H13 H     1.298525230     0.984390070     0.843657510 
H14 H     0.919223140     1.025391730     0.705186980 
H15 H     0.857768760     1.010687760     0.878466920 
H16 H     1.394372270     1.041201940     0.804595340 
H17 H     1.332506140     1.026542970     0.977946490 
H18 H     0.953859260     1.067571140     0.839286640 
H19 H     0.892867430     1.052962300     1.012917570 
H20 H     1.430106320     1.083298760     0.937774990 
H21 H     1.368369230     1.068763610     1.111542220 
H22 H     0.990314260     1.109789630     0.972430860 
H23 H     0.930258420     1.095343360     1.146680170 
H24 H     1.467810400     1.125441230     1.069428160 
H25 H     1.406531790     1.111076510     1.243883130 
H26 H     1.028409880     1.152217320     1.105098290 
H27 H     0.972125130     1.137922990     1.281060530 
H28 H     1.510435980     1.167681990     1.201869550 
H29 H     1.443063810     1.153344180     1.377030810 
H30 H     1.022386760     1.182407050     1.396577350 
H31 H     0.980295070     1.222093770     1.428178560 
H32 H     0.869288950     1.260545020     1.515376610 
H33 H     0.932844490     1.306265430     1.504614890 
H34 H     1.601084790     1.296732700     1.182002700 
H35 H     1.537762560     1.251323500     1.192672640 
H36 H     1.480536750     1.361598550     1.276635760 
H37 H     1.720596030     1.335884710     1.298216090 
H38 H     1.479642380     1.337341160     1.139177590 

#END
data_-153.435_g26a_fchk_4_5312_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 11.1775
_cell_length_b 4.6775
_cell_length_c 22.3291
_cell_angle_alpha 90.0
_cell_angle_beta 107.5676
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.050886560     0.875356600     0.725124180 
C2 C     0.149132770     0.712705280     0.776497660 
C3 C     0.265943380     0.891388530     0.807959850 
C4 C     0.364814560     0.730625160     0.859427570 
C5 C     0.481634400     0.909128150     0.890864300 
C6 C     0.580428870     0.747828760     0.942273000 
C7 C     0.697423690     0.925715520     0.973736270 
C8 C     0.796132430     0.763579300     1.025021280 
C9 C     0.913406370     0.940565270     1.056491910 
C10 C     1.012053560     0.777232340     1.107569560 
C11 C     1.129675580     0.953154060     1.138988700 
C12 C     1.228344860     0.788307580     1.189759220 
C13 C     1.346030490     0.963842550     1.221104540 
C14 C     1.443437810     0.794393480     1.271596770 
C15 C     1.560635080     1.141877750     1.350299040 
C16 C     1.708157640     1.491696360     1.420821470 
C17 C     1.822159250     1.636242900     1.429611280 
C18 C     1.864417370     1.835016610     1.477205250 
C19 C     1.793554270     1.895719790     1.517614190 
C20 C     1.680085680     1.753296840     1.509107110 
C21 C     1.637401710     1.552591390     1.461153300 
C22 C     1.775601220     2.157606980     1.606113910 
N1 N     1.556736870     0.955902000     1.302028060 
N2 N     1.672311370     1.291874440     1.371367280 
O1 O     1.473468190     1.166537460     1.372240460 
O2 O     1.843042570     2.094878030     1.563181510 
H1 H    -0.031335640     0.742808240     0.703411590 
H2 H     0.018807110     1.066099880     0.744175100 
H3 H     0.089493790     0.945374880     0.687976120 
H4 H     0.177270940     0.519152890     0.756519710 
H5 H     0.107304970     0.639566850     0.812344380 
H6 H     0.307898120     0.964718700     0.772122240 
H7 H     0.237873030     1.085193240     0.827969910 
H8 H     0.392763060     0.536806030     0.839383380 
H9 H     0.322797060     0.657406210     0.895241040 
H10 H     0.523657700     0.982447130     0.855060680 
H11 H     0.453756520     1.102863330     0.910960810 
H12 H     0.608179160     0.553979070     0.922158120 
H13 H     0.538397640     0.674613720     0.978080140 
H14 H     0.739422900     0.999152320     0.937931580 
H15 H     0.669783950     1.119388170     0.993950810 
H16 H     0.823558140     0.569703160     1.004780840 
H17 H     0.754145810     0.690369000     1.060844050 
H18 H     0.955302080     1.014201180     1.020662370 
H19 H     0.886152950     1.134111750     1.076901040 
H20 H     1.039002120     0.583351080     1.087132430 
H21 H     0.970224140     0.704042200     1.143448300 
H22 H     1.171360190     1.027136650     1.103108530 
H23 H     1.103049050     1.146355400     1.159734650 
H24 H     1.254643510     0.594537760     1.168984430 
H25 H     1.186742990     0.715029090     1.225703370 
H26 H     1.388464830     1.038308790     1.185567870 
H27 H     1.320979090     1.154444370     1.243106320 
H28 H     1.470820540     0.601188640     1.251389220 
H29 H     1.403048900     0.727892640     1.308187100 
H30 H     1.629517560     0.942184830     1.284462020 
H31 H     1.737744140     1.254213090     1.349655560 
H32 H     1.878499780     1.592034000     1.398672270 
H33 H     1.952443270     1.946390310     1.484012610 
H34 H     1.622900850     1.795189490     1.539497610 
H35 H     1.549534390     1.443135860     1.454748460 
H36 H     1.830663570     2.317886120     1.638088360 
H37 H     1.682401610     2.244773560     1.582121290 
H38 H     1.765381020     1.967869810     1.632966590 

#END
data_-153.429_g26a_fchk_15_4842_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 49.5948
_cell_length_b 4.3101
_cell_length_c 20.3708
_cell_angle_alpha 90.0
_cell_angle_beta 100.6261
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.117326020     0.459596610     0.856603170 
C2 C     0.104033640     0.552080130     0.785483090 
C3 C     0.074695400     0.673004500     0.780281230 
C4 C     0.061212160     0.766162800     0.709332070 
C5 C     0.031877120     0.886883240     0.704105500 
C6 C     0.018425800     0.979606890     0.633098790 
C7 C    -0.010924290     1.100047190     0.627711880 
C8 C    -0.024334030     1.191911230     0.556620470 
C9 C    -0.053712160     1.311771200     0.551006540 
C10 C    -0.067076320     1.402206200     0.479792850 
C11 C    -0.096493560     1.521076390     0.473930560 
C12 C    -0.109822630     1.609401350     0.402558360 
C13 C    -0.139242880     1.727703620     0.396641190 
C14 C    -0.152163220     1.813920480     0.324815000 
C15 C    -0.199078710     1.772346190     0.347511410 
C16 C    -0.248919630     1.801979970     0.355794100 
C17 C    -0.274286420     1.910676800     0.321379930 
C18 C    -0.298532680     1.829081190     0.341287060 
C19 C    -0.298144870     1.635167510     0.396447600 
C20 C    -0.273022390     1.525841360     0.430824080 
C21 C    -0.248549990     1.608161280     0.410831380 
C22 C    -0.323510650     1.389509410     0.470586560 
N1 N    -0.180226900     1.925959040     0.317657250 
N2 N    -0.225211660     1.897219910     0.332339180 
O1 O    -0.192854280     1.549906350     0.384299830 
O2 O    -0.323112950     1.567800730     0.412295040 
H1 H     0.138219630     0.373772730     0.858861690 
H2 H     0.118337570     0.657285810     0.890682820 
H3 H     0.105556720     0.276571630     0.875677130 
H4 H     0.103908870     0.352275740     0.752111160 
H5 H     0.116535710     0.730436380     0.767052520 
H6 H     0.062160630     0.494658630     0.798715630 
H7 H     0.074798660     0.873006220     0.813671700 
H8 H     0.061133700     0.566099240     0.675978810 
H9 H     0.073755490     0.944494110     0.690941000 
H10 H     0.019329580     0.708635020     0.722509600 
H11 H     0.031945470     1.087100530     0.737407530 
H12 H     0.018387380     0.779367140     0.599810780 
H13 H     0.030971650     1.157921590     0.614713920 
H14 H    -0.023470770     0.921863480     0.646143030 
H15 H    -0.010899510     1.300593770     0.660904400 
H16 H    -0.024308060     0.991345900     0.523447450 
H17 H    -0.011797130     1.370263340     0.538220630 
H18 H    -0.066244520     1.133641450     0.569506090 
H19 H    -0.053757120     1.512856500     0.584015690 
H20 H    -0.066957260     1.201118150     0.446799800 
H21 H    -0.054571030     1.580695820     0.461340570 
H22 H    -0.108995120     1.343032690     0.492558780 
H23 H    -0.096646230     1.723079260     0.506608280 
H24 H    -0.109583230     1.407316160     0.369859560 
H25 H    -0.097359720     1.787967220     0.384014960 
H26 H    -0.151905440     1.550841220     0.415059480 
H27 H    -0.139593440     1.933260390     0.428009280 
H28 H    -0.152149580     1.613825820     0.291760320 
H29 H    -0.140158480     1.997290340     0.306986180 
H30 H    -0.186006520     2.106716010     0.287032230 
H31 H    -0.227963960     2.081135770     0.301297750 
H32 H    -0.275003690     2.061466140     0.278386110 
H33 H    -0.318105610     1.913174230     0.314754660 
H34 H    -0.271978430     1.375332800     0.473688470 
H35 H    -0.229172970     1.522830000     0.437566810 
H36 H    -0.345037620     1.364006560     0.474111580 
H37 H    -0.314483330     1.159320380     0.467096880 
H38 H    -0.312613320     1.507061060     0.515441240 

#END
data_-153.273_g26a_fchk_19_3845_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 47.0026
_cell_length_b 4.6799
_cell_length_c 10.2239
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.414049230     1.107588370     0.190932360 
C2 C     0.436284030     1.247809950     0.279361090 
C3 C     0.456639180     1.032457890     0.342146610 
C4 C     0.478967700     1.170570400     0.430805140 
C5 C     0.499309390     0.955336170     0.493650650 
C6 C     0.521601270     1.093913180     0.582369900 
C7 C     0.541949690     0.879128370     0.645478970 
C8 C     0.564172300     1.018354310     0.734351220 
C9 C     0.584518160     0.804159620     0.797892910 
C10 C     0.606631040     0.944215850     0.887068640 
C11 C     0.626949250     0.730612970     0.951185490 
C12 C     0.648907990     0.871566880     1.040879710 
C13 C     0.669190810     0.658150720     1.105183940 
C14 C     0.690909840     0.803949880     1.194618520 
C15 C     0.733192470     0.493938030     1.190401290 
C16 C     0.773340490     0.147236480     1.223582830 
C17 C     0.784158660    -0.057721900     1.310509410 
C18 C     0.808438980    -0.211759680     1.280863690 
C19 C     0.822691810    -0.165433220     1.162769180 
C20 C     0.812043670     0.037527920     1.075813660 
C21 C     0.787569040     0.193206990     1.105638990 
C22 C     0.861218080    -0.291588850     1.022466480 
N1 N     0.710415510     0.605664160     1.257636420 
N2 N     0.748572060     0.295263590     1.261622720 
O1 O     0.739091310     0.568290260     1.079188600 
O2 O     0.846472410    -0.327620570     1.142290360 
H1 H     0.399787630     1.265971930     0.147589360 
H2 H     0.424192830     0.990227890     0.110950840 
H3 H     0.400989740     0.955558270     0.245795060 
H4 H     0.425565190     1.369713040     0.356561580 
H5 H     0.448630920     1.403490060     0.222781500 
H6 H     0.444303840     0.876508570     0.398813870 
H7 H     0.467378190     0.910315460     0.264946230 
H8 H     0.468209840     1.292779340     0.507911070 
H9 H     0.491292600     1.326436430     0.374073550 
H10 H     0.486990530     0.799389020     0.550363190 
H11 H     0.510090260     0.833221060     0.416590870 
H12 H     0.510806270     1.216214090     0.659334930 
H13 H     0.533923110     1.249777960     0.525628570 
H14 H     0.529631560     0.723093240     0.702147530 
H15 H     0.552787400     0.757042210     0.568580680 
H16 H     0.553312750     1.140769870     0.811088840 
H17 H     0.576502340     1.174199920     0.677642210 
H18 H     0.572189370     0.647995220     0.854441310 
H19 H     0.595448960     0.682147510     0.721258580 
H20 H     0.595672100     1.066751220     0.963475220 
H21 H     0.618990440     1.099992040     0.830472160 
H22 H     0.614597750     0.574238930     1.007499100 
H23 H     0.638037560     0.608879920     0.874987930 
H24 H     0.637786390     0.994053860     1.116867640 
H25 H     0.661301320     1.027326070     0.984478400 
H26 H     0.657018070     0.501207840     1.161908790 
H27 H     0.680817290     0.539302790     1.030075280 
H28 H     0.680074080     0.925841610     1.271170990 
H29 H     0.703732890     0.953478990     1.137770030 
H30 H     0.705896470     0.538212580     1.348742800 
H31 H     0.741702280     0.250284350     1.352667690 
H32 H     0.773372400    -0.096797940     1.402719090 
H33 H     0.816797330    -0.369769230     1.348000790 
H34 H     0.822533390     0.078657740     0.983584320 
H35 H     0.779410170     0.349834010     1.038012510 
H36 H     0.879246960    -0.437416900     1.026252460 
H37 H     0.847779070    -0.346243080     0.938489340 
H38 H     0.869017720    -0.072257150     1.011063720 

#END
data_-153.268_g26a_fchk_2_2037_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 8.5076
_cell_length_b 9.7017
_cell_length_c 31.5421
_cell_angle_alpha 118.0162
_cell_angle_beta 56.88
_cell_angle_gamma 149.2658
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.281958120     0.729201580     0.287465940 
C2 C     0.265253040     0.542548700     0.253956320 
C3 C     0.198034670     0.459468780     0.205230380 
C4 C     0.180851630     0.272719250     0.171437760 
C5 C     0.113462500     0.189491650     0.122738280 
C6 C     0.096062980     0.002527260     0.089030020 
C7 C     0.028287250    -0.081298280     0.040332460 
C8 C     0.010340270    -0.268712600     0.006769510 
C9 C    -0.058187040    -0.353506170    -0.041910220 
C10 C    -0.077178380    -0.541728120    -0.075256450 
C11 C    -0.146895610    -0.627795210    -0.123882220 
C12 C    -0.167613480    -0.817299260    -0.156942800 
C13 C    -0.237872810    -0.903796700    -0.205506970 
C14 C    -0.258186190    -1.093639010    -0.237887990 
C15 C    -0.081958770    -1.062091270    -0.329909090 
C16 C     0.001210330    -1.082700530    -0.421204220 
C17 C    -0.164879720    -1.228275000    -0.455533530 
C18 C    -0.001779650    -1.170399210    -0.506755180 
C19 C     0.334022450    -0.964042370    -0.525281330 
C20 C     0.500774540    -0.818229590    -0.491391070 
C21 C     0.336533120    -0.876537740    -0.439723640 
C22 C     0.816415860    -0.697718760    -0.596123600 
N1 N    -0.326369640    -1.180244250    -0.284261450 
N2 N    -0.183641440    -1.155394950    -0.369715260 
O1 O     0.195581120    -0.893755040    -0.334168180 
O2 O     0.473389600    -0.922068570    -0.576402890 
H1 H     0.329671380     0.784985870     0.321988140 
H2 H     0.474795010     0.915391560     0.267461320 
H3 H     0.053918420     0.632119600     0.298695710 
H4 H     0.075986170     0.360980670     0.275297020 
H5 H     0.493645520     0.642137160     0.244198350 
H6 H    -0.030541290     0.359749170     0.214950390 
H7 H     0.387355940     0.641084520     0.183842670 
H8 H    -0.008367200     0.091273900     0.192864870 
H9 H     0.409477870     0.372575430     0.161733490 
H10 H    -0.115110590     0.089689920     0.132428750 
H11 H     0.302744080     0.370843600     0.101275630 
H12 H    -0.093057280    -0.178668450     0.110530720 
H13 H     0.324691100     0.102401480     0.079331290 
H14 H    -0.200213950    -0.180997130     0.050018790 
H15 H     0.217573400     0.099756510     0.018768880 
H16 H    -0.178656180    -0.449503200     0.028394780 
H17 H     0.238944480    -0.168896100    -0.002945480 
H18 H    -0.286536330    -0.452948340    -0.032207840 
H19 H     0.131114500    -0.172940950    -0.063637570 
H20 H    -0.266038380    -0.721925430    -0.053443250 
H21 H     0.151346260    -0.442111830    -0.085029440 
H22 H    -0.374947890    -0.726743330    -0.114142980 
H23 H     0.042492230    -0.448061140    -0.145877880 
H24 H    -0.356566970    -0.996739590    -0.134840780 
H25 H     0.060701710    -0.718055990    -0.166782180 
H26 H    -0.465883340    -1.003385370    -0.196117120 
H27 H    -0.046858060    -0.726368500    -0.228295980 
H28 H    -0.446800010    -1.273961120    -0.216323360 
H29 H    -0.028080080    -0.992298310    -0.248771440 
H30 H    -0.552212850    -1.316466160    -0.281797280 
H31 H    -0.418939210    -1.294677630    -0.361714040 
H32 H    -0.425787400    -1.389267120    -0.441853060 
H33 H    -0.130021490    -1.282895930    -0.533248260 
H34 H     0.760572690    -0.657219740    -0.504432890 
H35 H     0.466664970    -0.763052060    -0.413663180 
H36 H     0.876071790    -0.701894090    -0.636881010 
H37 H     0.927435150    -0.507131050    -0.580811050 
H38 H     0.912219910    -0.712468300    -0.588249780 

#END
data_-153.258_g26a_fchk_5_2700_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,-z
_cell_length_a 46.0138
_cell_length_b 4.7024
_cell_length_c 10.3844
_cell_angle_alpha 90.0
_cell_angle_beta 84.3217
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.090745540     0.617856000     0.211508730 
C2 C     0.115263250     0.796847490     0.259455490 
C3 C     0.132359910     0.639487630     0.356688580 
C4 C     0.156938940     0.816710010     0.405256250 
C5 C     0.174023650     0.659529540     0.502519860 
C6 C     0.198572640     0.837269200     0.551050820 
C7 C     0.215670520     0.680729100     0.648456380 
C8 C     0.240159040     0.859280650     0.696998010 
C9 C     0.257262450     0.703679220     0.794667630 
C10 C     0.281651900     0.883400540     0.843320190 
C11 C     0.298735010     0.728908890     0.941382000 
C12 C     0.322980830     0.910124070     0.990326300 
C13 C     0.340030470     0.756023610     1.088519500 
C14 C     0.364109940     0.941591910     1.136277050 
C15 C     0.401669780     0.602479200     1.191611460 
C16 C     0.436511630     0.271255790     1.287711480 
C17 C     0.444806510     0.168034070     1.405446970 
C18 C     0.466781440    -0.031987130     1.408319120 
C19 C     0.481180100    -0.135511660     1.292975890 
C20 C     0.473025740    -0.034298370     1.175617230 
C21 C     0.450881030     0.167616420     1.172582260 
C22 C     0.519272820    -0.426207570     1.191526150 
N1 N     0.380612340     0.800668470     1.230346010 
N2 N     0.414002340     0.475501890     1.293517910 
O1 O     0.408710650     0.549292190     1.077707290 
O2 O     0.502580150    -0.332336950     1.305667640 
H1 H     0.078882990     0.735356610     0.142441500 
H2 H     0.099404640     0.424175730     0.163481800 
H3 H     0.074966200     0.553247890     0.291973230 
H4 H     0.106099460     0.992647980     0.304155040 
H5 H     0.130381710     0.863986520     0.176798480 
H6 H     0.117248690     0.572179110     0.439476530 
H7 H     0.141540390     0.443448900     0.312035630 
H8 H     0.147740640     1.012742240     0.449813850 
H9 H     0.172038440     0.883897240     0.322429110 
H10 H     0.158929060     0.592244360     0.585345980 
H11 H     0.183246640     0.463593810     0.457982090 
H12 H     0.189338480     1.033297360     0.595468470 
H13 H     0.213669030     0.904450110     0.468215590 
H14 H     0.200575400     0.613323110     0.731261260 
H15 H     0.224951200     0.484897920     0.604050550 
H16 H     0.230861820     1.055278390     0.741197040 
H17 H     0.255263370     0.926464600     0.614194520 
H18 H     0.242154820     0.636058210     0.877393200 
H19 H     0.266637990     0.508042300     0.750472070 
H20 H     0.272256640     1.079319600     0.887210970 
H21 H     0.296784600     0.950591760     0.760627690 
H22 H     0.283601670     0.660908230     1.023944120 
H23 H     0.308273530     0.533727210     0.897502460 
H24 H     0.313420950     1.105815970     1.033870970 
H25 H     0.338147160     0.977441840     0.907806930 
H26 H     0.325068430     0.687676010     1.171544330 
H27 H     0.350157240     0.563719190     1.044972370 
H28 H     0.354829120     1.136918000     1.180415820 
H29 H     0.379615510     1.002404350     1.054581090 
H30 H     0.375051080     0.838044290     1.324981370 
H31 H     0.406440880     0.536021740     1.383723330 
H32 H     0.433865070     0.245847480     1.496070890 
H33 H     0.473195570    -0.111465310     1.499186930 
H34 H     0.483699020    -0.109914680     1.084590840 
H35 H     0.444643980     0.245096240     1.081551750 
H36 H     0.534910470    -0.578927640     1.222818140 
H37 H     0.505555410    -0.530881330     1.125169430 
H38 H     0.531090490    -0.249932190     1.141004360 

#END
data_-153.230_g26a_fchk_5_7276_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,-z
_cell_length_a 34.317
_cell_length_b 4.1591
_cell_length_c 28.5291
_cell_angle_alpha 90.0
_cell_angle_beta 32.9615
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.337532110     0.962630760     0.611329750 
C2 C     0.384728760     0.870983800     0.521950730 
C3 C     0.341957300     0.809546720     0.520228690 
C4 C     0.388677450     0.717690340     0.431102250 
C5 C     0.345934230     0.656063980     0.429366710 
C6 C     0.392760650     0.563931060     0.340191840 
C7 C     0.350146250     0.501765440     0.338291790 
C8 C     0.397119210     0.409011320     0.249068830 
C9 C     0.354675360     0.345891580     0.246956400 
C10 C     0.401835240     0.252005150     0.157689170 
C11 C     0.359562520     0.187497420     0.155381700 
C12 C     0.406924070     0.091798320     0.066093830 
C13 C     0.364696910     0.026719420     0.063772410 
C14 C     0.413160950    -0.069212620    -0.026104170 
C15 C     0.394160300     0.010607320    -0.091492080 
C16 C     0.355008140     0.039979340    -0.136097340 
C17 C     0.300405420    -0.052638930    -0.111959430 
C18 C     0.302288020     0.035053770    -0.160620580 
C19 C     0.359079040     0.219139210    -0.235218010 
C20 C     0.413467610     0.312511610    -0.259532450 
C21 C     0.411664630     0.224009650    -0.210548570 
C22 C     0.416232360     0.451162760    -0.359548230 
N1 N     0.374339030    -0.134076620    -0.030117490 
N2 N     0.349057080    -0.060569950    -0.083074060 
O1 O     0.447122300     0.181531330    -0.147995990 
O2 O     0.356247960     0.293590940    -0.279002560 
H1 H     0.369390250     1.004621580     0.610738910 
H2 H     0.307147460     1.182075450     0.634744300 
H3 H     0.298926540     0.772182650     0.658180960 
H4 H     0.415881330     0.655459800     0.499127710 
H5 H     0.423899540     1.062290340     0.475930130 
H6 H     0.302729010     0.618080180     0.566270740 
H7 H     0.310752270     1.025148310     0.543068090 
H8 H     0.419887120     0.502220310     0.408301210 
H9 H     0.427877930     0.909250390     0.385110550 
H10 H     0.306714590     0.464569690     0.475369160 
H11 H     0.314758050     0.871538620     0.452095640 
H12 H     0.423972450     0.348616220     0.317466170 
H13 H     0.431959220     0.755499120     0.294207970 
H14 H     0.310902510     0.310368780     0.384321200 
H15 H     0.319005510     0.717133560     0.360878350 
H16 H     0.428324600     0.193924590     0.226480690 
H17 H     0.436317660     0.600542480     0.203067820 
H18 H     0.315389060     0.154710670     0.293057870 
H19 H     0.323599210     0.561087770     0.269304000 
H20 H     0.433017880     0.037223450     0.135321680 
H21 H     0.441032870     0.443411090     0.111627680 
H22 H     0.320203050    -0.003268120     0.201617880 
H23 H     0.328633040     0.402433160     0.177292680 
H24 H     0.438016400    -0.122774500     0.044117430 
H25 H     0.446140240     0.282916360     0.019935410 
H26 H     0.325280180    -0.164198910     0.109726850 
H27 H     0.334721840     0.241777690     0.083841520 
H28 H     0.444233830    -0.283803550    -0.048582540 
H29 H     0.450953300     0.124510440    -0.071573130 
H30 H     0.330001080    -0.271154790     0.016210830 
H31 H     0.306852960    -0.204461320    -0.033834480 
H32 H     0.255826600    -0.195598520    -0.054188250 
H33 H     0.260173670    -0.036646870    -0.142020410 
H34 H     0.458168780     0.455094990    -0.316841620 
H35 H     0.453844680     0.297004780    -0.229605890 
H36 H     0.403264620     0.486364300    -0.383311370 
H37 H     0.425803480     0.685442510    -0.352759430 
H38 H     0.464821190     0.304524330    -0.405739250 

#END
data_-153.075_g26a_fchk_14_4258_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 17.6496
_cell_length_b 59.6602
_cell_length_c 9.2759
_cell_angle_alpha 90.0
_cell_angle_beta 166.7504
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.908670350     0.421901610     0.562866760 
C2 C     0.873154690     0.400589720     0.587473520 
C3 C     0.956870630     0.379235440     0.658645040 
C4 C     0.922118630     0.357819270     0.683738220 
C5 C     1.005594260     0.336467260     0.754501580 
C6 C     0.970346610     0.315070580     0.778854040 
C7 C     1.053269040     0.293689750     0.848803530 
C8 C     1.017067190     0.272322950     0.871609490 
C9 C     1.099016520     0.250900960     0.940013610 
C10 C     1.061235430     0.229572260     0.960143870 
C11 C     1.141757740     0.208107350     1.026122350 
C12 C     1.101649060     0.186818620     1.042154680 
C13 C     1.181513050     0.165354860     1.106948860 
C14 C     1.138965160     0.144289190     1.120547620 
C15 C     0.998622180     0.105663400     0.790440330 
C16 C     0.954907410     0.065988930     0.620922350 
C17 C     1.089726930     0.051003630     0.769966850 
C18 C     0.947773840     0.030239740     0.483036360 
C19 C     0.665483110     0.023794630     0.036574460 
C20 C     0.530436700     0.038579620    -0.113188380 
C21 C     0.673209520     0.059534820     0.175489380 
C22 C     0.281722050    -0.005287760    -0.618687160 
N1 N     1.211895030     0.123592730     1.179002290 
N2 N     1.114214280     0.086823570     0.933403070 
O1 O     0.732425610     0.106707950     0.359105110 
O2 O     0.543174950     0.002989920    -0.221178860 
H1 H     0.847008720     0.436874880     0.511051300 
H2 H     1.161986450     0.423839730     0.992529080 
H3 H     0.745368170     0.421440850     0.166405720 
H4 H     0.619734050     0.399352320     0.159299740 
H5 H     1.033550180     0.401698840     0.979557790 
H6 H     0.796459840     0.378106600     0.266409680 
H7 H     1.210497150     0.380458470     1.087108380 
H8 H     0.668514600     0.356618650     0.255331710 
H9 H     1.082593190     0.358960520     1.076042230 
H10 H     0.845219560     0.335323770     0.362351690 
H11 H     1.259259120     0.337650420     1.183092200 
H12 H     0.716711120     0.313908500     0.350397060 
H13 H     1.130817060     0.316214700     1.171146630 
H14 H     0.893003440     0.292549850     0.456816490 
H15 H     1.307043210     0.294822030     1.277670990 
H16 H     0.763355200     0.271225340     0.443001230 
H17 H     1.177542090     0.273458420     1.263909070 
H18 H     0.938928990     0.249779440     0.548287800 
H19 H     1.352964240     0.251950290     1.369337350 
H20 H     0.807383100     0.228571110     0.531232000 
H21 H     1.221732070     0.230677190     1.352479060 
H22 H     0.981993910     0.207023320     0.634880640 
H23 H     1.395981000     0.209019210     1.456260270 
H24 H     0.847394030     0.185958470     0.612298110 
H25 H     1.262033400     0.187881520     1.434303130 
H26 H     1.022432300     0.164114360     0.716890340 
H27 H     1.436975040     0.165865040     1.541388390 
H28 H     0.885902030     0.143193020     0.692926940 
H29 H     1.304851810     0.145084320     1.520408840 
H30 H     1.431179300     0.122174070     1.534756660 
H31 H     1.338088380     0.087890890     1.300940910 
H32 H     1.309066520     0.055708500     1.115868740 
H33 H     1.051698670     0.018683840     0.597755170 
H34 H     0.312288360     0.034127220    -0.456232010 
H35 H     0.567908820     0.070904300     0.058266220 
H36 H     0.221333150    -0.021779050    -0.773337480 
H37 H     0.356802580    -0.006933730    -0.366581210 
H38 H     0.062991920     0.005512820    -1.030168390 

#END
data_-153.074_g26a_fchk_2_16090_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 20.9627
_cell_length_b 4.1642
_cell_length_c 43.9223
_cell_angle_alpha 114.2599
_cell_angle_beta 23.1703
_cell_angle_gamma 99.448
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.573604720     0.725139640     0.779318210 
C2 C     0.797491010     0.356126420     0.671706250 
C3 C     0.867951100     0.341410200     0.672742680 
C4 C     1.091724210    -0.026620180     0.565459290 
C5 C     1.162244770    -0.041268040     0.566454050 
C6 C     1.386113690    -0.409285510     0.459067170 
C7 C     1.457105560    -0.424353040     0.459810830 
C8 C     1.681123020    -0.792113200     0.352271160 
C9 C     1.752792530    -0.807566110     0.352659500 
C10 C     1.977049080    -1.174707900     0.244901630 
C11 C     2.049471500    -1.190198930     0.244900420 
C12 C     2.274079580    -1.556182860     0.136864050 
C13 C     2.346653810    -1.571365690     0.136772100 
C14 C     2.571741630    -1.939223230     0.027887440 
C15 C     2.814916380    -1.977475970    -0.045330610 
C16 C     3.033809480    -2.040913960    -0.101198780 
C17 C     3.036121380    -1.994623580    -0.068754390 
C18 C     3.189360400    -2.005535700    -0.122436100 
C19 C     3.345773510    -2.063710610    -0.210666890 
C20 C     3.344676380    -2.110654720    -0.243473430 
C21 C     3.190122230    -2.099357910    -0.189352140 
C22 C     3.661606490    -2.171410430    -0.353856760 
N1 N     2.645175240    -1.960080310     0.025406300 
N2 N     2.871773090    -2.024304720    -0.041854640 
O1 O     2.903283080    -1.948674140    -0.104005280 
O2 O     3.490095330    -2.069700920    -0.258385150 
H1 H     0.527456670     0.728487260     0.776302770 
H2 H     0.479116950     0.688924800     0.834532880 
H3 H     0.540223810     1.045604300     0.811032620 
H4 H     0.888333830     0.393887590     0.617341930 
H5 H     0.827662670     0.040070420     0.640760830 
H6 H     0.837829730     0.657616860     0.703703310 
H7 H     0.777099000     0.303637860     0.727143960 
H8 H     1.182425820     0.011280540     0.511109220 
H9 H     1.121708800    -0.342644820     0.534564450 
H10 H     1.132232660     0.274755560     0.597371340 
H11 H     1.071706400    -0.079517270     0.620727530 
H12 H     1.476557090    -0.371078490     0.404807280 
H13 H     1.416076170    -0.725275650     0.428181250 
H14 H     1.427016910    -0.108269040     0.490771050 
H15 H     1.366957090    -0.463252250     0.513926690 
H16 H     1.771122600    -0.753324820     0.298171760 
H17 H     1.711144270    -1.108171670     0.321364470 
H18 H     1.722487740    -0.491272690     0.383724120 
H19 H     1.663290800    -0.847555300     0.406510450 
H20 H     2.066368150    -1.134963240     0.191055430 
H21 H     2.007276790    -1.491011030     0.213922260 
H22 H     2.018752050    -0.873514830     0.276160120 
H23 H     1.961103910    -1.232183380     0.298266950 
H24 H     2.362343650    -1.514596300     0.083439440 
H25 H     2.304640730    -1.872806860     0.105753510 
H26 H     2.316832290    -1.256126830     0.167756100 
H27 H     2.262343410    -1.622158120     0.188160490 
H28 H     2.661440020    -1.900280710    -0.026017760 
H29 H     2.601220800    -2.255158020    -0.001926190 
H30 H     2.576640710    -1.989110090     0.072077560 
H31 H     2.787445480    -2.045105960     0.009770660 
H32 H     2.915940320    -1.949299800    -0.000405290 
H33 H     3.191042510    -1.969473530    -0.097342330 
H34 H     3.463370760    -2.156383830    -0.311426370 
H35 H     3.190034530    -2.136082320    -0.215083350 
H36 H     3.755621820    -2.156675040    -0.377971200 
H37 H     3.746908380    -2.501360960    -0.413982470 
H38 H     3.619385070    -1.933198370    -0.344229930 

#END
data_-152.984_g26a_fchk_14_10069_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 9.6674
_cell_length_b 54.7433
_cell_length_c 8.8128
_cell_angle_alpha 90.0
_cell_angle_beta 28.3583
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.441119180     0.099227040     1.006695510 
C2 C     0.649034900     0.079440270     0.863330620 
C3 C     0.491178050     0.057409120     1.084094370 
C4 C     0.697234730     0.037508190     0.942890290 
C5 C     0.539508950     0.015487670     1.163597380 
C6 C     0.746012750    -0.004378760     1.022023140 
C7 C     0.588870180    -0.026408270     1.242404450 
C8 C     0.796012370    -0.046213870     1.100396520 
C9 C     0.639666080    -0.068248800     1.320429860 
C10 C     0.847655100    -0.087962830     1.177982070 
C11 C     0.692149810    -0.109987310     1.397811470 
C12 C     0.901109640    -0.129579560     1.255087360 
C13 C     0.745842390    -0.151578760     1.474916490 
C14 C     0.959179890    -0.170897950     1.327451000 
C15 C     0.884695350    -0.215289730     1.420226690 
C16 C     0.735423020    -0.258696080     1.614106720 
C17 C     0.554902100    -0.273268400     1.879496750 
C18 C     0.559806030    -0.298471800     1.863514600 
C19 C     0.746121460    -0.309920050     1.580349000 
C20 C     0.925777840    -0.295560360     1.315820270 
C21 C     0.921219880    -0.270138600     1.331535400 
C22 C     0.925112930    -0.347224160     1.303599590 
N1 N     0.817312000    -0.192003790     1.532241900 
N2 N     0.717472350    -0.233178900     1.650543970 
O1 O     1.076667320    -0.219397780     1.142503310 
O2 O     0.735591380    -0.334875660     1.587744770 
H1 H     0.559442750     0.114739480     0.844495860 
H2 H     0.296725380     0.092068280     1.057866190 
H3 H     0.303848120     0.106129270     1.231221580 
H4 H     0.795862270     0.087236920     0.806924100 
H5 H     0.788236980     0.073240610     0.635487560 
H6 H     0.351767450     0.063592480     1.312250610 
H7 H     0.344137490     0.049592510     1.140708290 
H8 H     0.844272130     0.045344720     0.886189750 
H9 H     0.836519060     0.031334680     0.714805540 
H10 H     0.400141910     0.021655740     1.391742300 
H11 H     0.392613370     0.007631580     1.220175450 
H12 H     0.893028070     0.003494930     0.965221520 
H13 H     0.885287490    -0.010549380     0.793940590 
H14 H     0.449395110    -0.020240410     1.470613260 
H15 H     0.442148670    -0.034317020     1.298924040 
H16 H     0.942953460    -0.038276860     1.043477870 
H17 H     0.935293690    -0.052392720     0.872335850 
H18 H     0.499991110    -0.062069520     1.548724450 
H19 H     0.493255620    -0.076243420     1.376825210 
H20 H     0.994435560    -0.079929740     1.120955140 
H21 H     0.986957700    -0.094171030     0.949998590 
H22 H     0.552124460    -0.103783560     1.626232540 
H23 H     0.546412440    -0.118124850     1.453827900 
H24 H     1.047447820    -0.121396860     1.198218460 
H25 H     1.040531870    -0.135823160     1.027166880 
H26 H     0.605665010    -0.145545980     1.703790840 
H27 H     0.604108030    -0.160164620     1.527344390 
H28 H     1.105538350    -0.162981130     1.270916650 
H29 H     1.092719290    -0.177566040     1.104864370 
H30 H     0.655977840    -0.189150390     1.763181790 
H31 H     0.564864890    -0.227638700     1.872442760 
H32 H     0.408593960    -0.264706190     2.101625020 
H33 H     0.420641220    -0.309715910     2.068269140 
H34 H     1.072428130    -0.303817540     1.093098680 
H35 H     1.060490430    -0.259113540     1.126306250 
H36 H     0.883262620    -0.366628870     1.360036670 
H37 H     0.880732960    -0.342310800     1.228098480 
H38 H     1.154090420    -0.343366200     1.108294210 

#END
data_-152.981_g26a_fchk_14_1237_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 9.0911
_cell_length_b 58.7398
_cell_length_c 9.2331
_cell_angle_alpha 90.0
_cell_angle_beta 153.6357
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.701238920     0.582512090     0.479159780 
C2 C     0.727350700     0.603271400     0.601587670 
C3 C     0.867431980     0.624302100     0.648796460 
C4 C     0.894566050     0.645164800     0.771230350 
C5 C     1.034781410     0.666188270     0.818641830 
C6 C     1.061997840     0.687023480     0.941399000 
C7 C     1.202541020     0.708064520     0.989424010 
C8 C     1.230097600     0.728852280     1.112865890 
C9 C     1.371305560     0.749913500     1.161944430 
C10 C     1.399619800     0.770631780     1.286599730 
C11 C     1.541906050     0.791703700     1.337166670 
C12 C     1.571601510     0.812332750     1.463722700 
C13 C     1.714358850     0.833388700     1.514883410 
C14 C     1.742384120     0.853779240     1.642149350 
C15 C     1.709234640     0.894335500     1.547620600 
C16 C     1.760951460     0.934339300     1.499862120 
C17 C     1.929363000     0.947713310     1.546316760 
C18 C     1.845489770     0.970287620     1.450395320 
C19 C     1.589234590     0.980213780     1.304161450 
C20 C     1.420412160     0.967022210     1.256715440 
C21 C     1.504931370     0.944256320     1.353587210 
C22 C     1.286282660     1.013853960     1.094694140 
N1 N     1.879042450     0.874038980     1.694541840 
N2 N     1.862962550     0.911528180     1.605727960 
O1 O     1.450151130     0.896664240     1.385649110 
O2 O     1.524765040     1.002597830     1.218069480 
H1 H     0.601090060     0.567748910     0.448080320 
H2 H     0.539149100     0.586005140     0.243796130 
H3 H     0.944200540     0.577760110     0.650504870 
H4 H     0.884037730     0.599134260     0.833178930 
H5 H     0.482258620     0.607353740     0.429449510 
H6 H     1.112780360     0.620236350     0.821072510 
H7 H     0.710763490     0.628456370     0.417106150 
H8 H     1.051087500     0.640989980     1.002783870 
H9 H     0.649164760     0.649219520     0.598842690 
H10 H     1.280151910     0.662137580     0.990954880 
H11 H     0.878213670     0.670382170     0.587106320 
H12 H     1.218343320     0.682811380     1.172785440 
H13 H     0.816590080     0.691075310     0.769001410 
H14 H     1.447854450     0.704012380     1.161626150 
H15 H     1.046051200     0.712310440     0.758029830 
H16 H     1.386194550     0.724576950     1.343999340 
H17 H     0.984730710     0.732912410     0.940508040 
H18 H     1.616469160     0.745847040     1.333903290 
H19 H     1.214930290     0.754244310     0.930782320 
H20 H     1.555400370     0.766260840     1.517384350 
H21 H     1.154393120     0.774721400     1.114376950 
H22 H     1.786765980     0.787607440     1.508660860 
H23 H     1.385634450     0.796176110     1.106384540 
H24 H     1.727235890     0.807815420     1.694205990 
H25 H     1.326646660     0.816460020     1.291811280 
H26 H     1.959555610     0.829455990     1.686554200 
H27 H     1.556714300     0.838301390     1.284590770 
H28 H     1.898218070     0.849514570     1.872720070 
H29 H     1.497378220     0.858253300     1.467009420 
H30 H     2.090342010     0.872556310     1.823936850 
H31 H     2.076324670     0.907637390     1.743060470 
H32 H     2.129080970     0.940299560     1.659403010 
H33 H     1.975646620     0.980611330     1.486487290 
H34 H     1.220836060     0.974157100     1.144214580 
H35 H     1.373452750     0.934122280     1.316168050 
H36 H     1.273873030     1.031250860     1.043429880 
H37 H     1.041578110     1.005912000     0.869134550 
H38 H     1.359914500     1.014074900     1.273916210 

#END
data_-152.904_g26a_fchk_2_6690_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 29.8464
_cell_length_b 4.2584
_cell_length_c 10.925
_cell_angle_alpha 108.9414
_cell_angle_beta 123.4298
_cell_angle_gamma 73.135
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.265983070     0.769606320     0.552401840 
C2 C     0.291890780     0.936761640     0.718815770 
C3 C     0.350963880     0.981578040     0.789088980 
C4 C     0.377258460     1.148588010     0.955559390 
C5 C     0.436323080     1.193247000     1.025870570 
C6 C     0.462549720     1.360002390     1.192381900 
C7 C     0.521639070     1.404588580     1.263029730 
C8 C     0.547774560     1.570731670     1.429607880 
C9 C     0.606910640     1.615009850     1.500742150 
C10 C     0.632941630     1.780037100     1.667441760 
C11 C     0.692142570     1.823595630     1.739118270 
C12 C     0.718083400     1.986846670     1.906017840 
C13 C     0.777284560     2.029910170     1.977796530 
C14 C     0.802389800     2.192942680     2.144734110 
C15 C     0.895707380     1.975606700     2.195538300 
C16 C     0.995063940     1.845830240     2.280625520 
C17 C     1.045441010     1.942647960     2.398181970 
C18 C     1.093371190     1.756290300     2.408137460 
C19 C     1.092369540     1.465908480     2.300376650 
C20 C     1.042471910     1.367829780     2.183383070 
C21 C     0.994096480     1.555710600     2.173140390 
C22 C     1.142476960     1.015910230     2.207494400 
N1 N     0.858828420     2.235599250     2.216134400 
N2 N     0.948224640     2.050559130     2.278628280 
O1 O     0.882425390     1.707837260     2.110296660 
O2 O     1.141748290     1.298889910     2.319651510 
H1 H     0.223891130     0.740274660     0.505176570 
H2 H     0.266238310     0.918111630     0.487747450 
H3 H     0.288079080     0.520459060     0.535074780 
H4 H     0.289872440     0.787584530     0.780303090 
H5 H     0.268314120     1.182313590     0.733357250 
H6 H     0.374605500     0.735935290     0.774604780 
H7 H     0.353026850     1.130862290     0.727611730 
H8 H     0.375146480     0.999254660     1.016914100 
H9 H     0.353600500     1.394172410     0.969942060 
H10 H     0.459990310     0.947713540     1.011472370 
H11 H     0.438455520     1.342787090     0.964638380 
H12 H     0.460358050     1.210504570     1.253527340 
H13 H     0.438886740     1.605567590     1.206747250 
H14 H     0.545305200     1.159080490     1.248577990 
H15 H     0.523858760     1.554507350     1.202102870 
H16 H     0.545454490     1.420910890     1.490396310 
H17 H     0.524129380     1.816332250     1.444020730 
H18 H     0.630550440     1.369489120     1.486130400 
H19 H     0.609269970     1.765559310     1.440319960 
H20 H     0.630435720     1.629675200     1.727686360 
H21 H     0.609359350     2.025767370     1.682021640 
H22 H     0.715724250     1.578047790     1.724196830 
H23 H     0.694717460     1.975281780     1.679570970 
H24 H     0.715335600     1.835363370     1.965433510 
H25 H     0.694584170     2.232674650     1.920860130 
H26 H     0.801191700     1.785417730     1.963623530 
H27 H     0.780259310     2.186678640     1.921255670 
H28 H     0.800100150     2.043373720     2.205325240 
H29 H     0.779851480     2.441153280     2.159178990 
H30 H     0.871035760     2.452352890     2.288278270 
H31 H     0.954439860     2.280001960     2.345467330 
H32 H     1.047042490     2.167437750     2.483005450 
H33 H     1.132243960     1.831178370     2.498801810 
H34 H     1.040221750     1.144488030     2.098156520 
H35 H     0.955607810     1.478664760     2.082474950 
H36 H     1.185071570     0.922492620     2.243755740 
H37 H     1.122925330     0.818804090     2.196553770 
H38 H     1.122560130     1.083961700     2.098396380 

#END
data_-152.754_g26a_fchk_19_3252_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 63.2023
_cell_length_b 7.7571
_cell_length_c 4.5164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.623115140     0.333022530     0.405281590 
C2 C     0.602649400     0.336824080     0.224554810 
C3 C     0.582719890     0.334099280     0.417082580 
C4 C     0.562158540     0.337868290     0.238406210 
C5 C     0.542231950     0.335040060     0.430793520 
C6 C     0.521689950     0.338642390     0.251626640 
C7 C     0.501737290     0.335603150     0.443454270 
C8 C     0.481226100     0.338834940     0.263579760 
C9 C     0.461237260     0.335387480     0.454642000 
C10 C     0.440767130     0.337955740     0.273825490 
C11 C     0.420742630     0.333860150     0.464071620 
C12 C     0.400318720     0.335383020     0.282171550 
C13 C     0.380297910     0.330976320     0.472162960 
C14 C     0.360081320     0.332208330     0.285455880 
C15 C     0.334280460     0.469256320     0.618843540 
C16 C     0.305351610     0.557848220     0.968471150 
C17 C     0.286773990     0.499640770     1.106018090 
C18 C     0.274971330     0.607432130     1.285672750 
C19 C     0.281430490     0.777481050     1.333639190 
C20 C     0.299890600     0.836151750     1.198112320 
C21 C     0.311800800     0.727608810     1.016664520 
C22 C     0.274666240     1.047536740     1.567348890 
N1 N     0.340771630     0.327270260     0.460620740 
N2 N     0.316379100     0.439844820     0.788209110 
O1 O     0.343510750     0.607304310     0.605331300 
O2 O     0.268738050     0.874025790     1.514188200 
H1 H     0.637079770     0.334811600     0.262484130 
H2 H     0.624103760     0.444378600     0.553411520 
H3 H     0.623963820     0.216896890     0.542361270 
H4 H     0.602310140     0.226460330     0.072939910 
H5 H     0.602416980     0.452274830     0.084526730 
H6 H     0.582934580     0.218583330     0.557350490 
H7 H     0.583045310     0.444521770     0.568938160 
H8 H     0.561853990     0.227475790     0.086521800 
H9 H     0.561955560     0.453404490     0.098249580 
H10 H     0.542432590     0.219540270     0.571039070 
H11 H     0.542519350     0.445479070     0.582560400 
H12 H     0.521421770     0.228260030     0.099708300 
H13 H     0.521489710     0.454176830     0.111475520 
H14 H     0.501941080     0.220144620     0.583806120 
H15 H     0.501975880     0.446094020     0.595120070 
H16 H     0.481018970     0.228449220     0.111642070 
H17 H     0.481017720     0.454366010     0.123434530 
H18 H     0.461458020     0.220001950     0.595173190 
H19 H     0.461396230     0.445965670     0.606115300 
H20 H     0.440651620     0.227541230     0.121908760 
H21 H     0.440529940     0.453477790     0.133703270 
H22 H     0.420998010     0.218613210     0.604909700 
H23 H     0.420769170     0.444607250     0.615065770 
H24 H     0.400338850     0.224778320     0.130492440 
H25 H     0.400042320     0.450832840     0.141986810 
H26 H     0.380403630     0.215943550     0.613393710 
H27 H     0.379928670     0.442850760     0.619698750 
H28 H     0.359874100     0.222063400     0.134118630 
H29 H     0.359544890     0.449286740     0.151723610 
H30 H     0.332976530     0.214649330     0.478416660 
H31 H     0.310098030     0.320522110     0.782354340 
H32 H     0.281505800     0.367917040     1.071497410 
H33 H     0.260626230     0.562532800     1.391625240 
H34 H     0.305347980     0.966911580     1.230558650 
H35 H     0.326074210     0.773586330     0.912487880 
H36 H     0.262582630     1.100495820     1.713099100 
H37 H     0.290114030     1.055813630     1.676768000 
H38 H     0.275115350     1.122473190     1.361675730 

#END
data_-152.513_g26a_fchk_15_22454_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 23.5756
_cell_length_b 4.4901
_cell_length_c 42.4358
_cell_angle_alpha 90.0
_cell_angle_beta 79.6228
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.084127260     0.456848230     0.380260430 
C2 C     0.052446760     0.272247330     0.358565100 
C3 C     0.017267170     0.462461010     0.339140150 
C4 C    -0.014595290     0.279903900     0.317356800 
C5 C    -0.049796430     0.469970140     0.297948760 
C6 C    -0.081667440     0.286912210     0.276206960 
C7 C    -0.116963800     0.476398130     0.256800300 
C8 C    -0.148876810     0.292609710     0.235139270 
C9 C    -0.184335960     0.481294180     0.215750470 
C10 C    -0.216349930     0.296522290     0.194220510 
C11 C    -0.252034200     0.484338800     0.174883070 
C12 C    -0.284240760     0.298417150     0.153541710 
C13 C    -0.319999550     0.485958010     0.134250330 
C14 C    -0.351904750     0.295218400     0.113148850 
C15 C    -0.360954160     0.624180110     0.067932710 
C16 C    -0.387963290     0.969487450     0.026471390 
C17 C    -0.435089680     1.105984180     0.016312710 
C18 C    -0.427547330     1.283289500    -0.010783900 
C19 C    -0.372374900     1.329882190    -0.028613560 
C20 C    -0.325331320     1.195392800    -0.018638600 
C21 C    -0.332882710     1.016311320     0.008672470 
C22 C    -0.314202030     1.557237130    -0.074030530 
N1 N    -0.386518140     0.467933940     0.094619640 
N2 N    -0.399487220     0.791613390     0.054255950 
O1 O    -0.309256990     0.610613370     0.057500240 
O2 O    -0.369279760     1.508128090    -0.054990180 
H1 H     0.108802040     0.315624260     0.393870620 
H2 H     0.114222390     0.613121260     0.366240870 
H3 H     0.053785940     0.587214260     0.397433710 
H4 H     0.023717450     0.112637620     0.373099210 
H5 H     0.083653310     0.138970420     0.342103780 
H6 H    -0.013987800     0.595971950     0.355593000 
H7 H     0.045987370     0.622314270     0.324584450 
H8 H    -0.043272660     0.120026880     0.331929500 
H9 H     0.016683700     0.146507950     0.300913300 
H10 H    -0.081070300     0.603457450     0.314385070 
H11 H    -0.021134360     0.629729370     0.283351990 
H12 H    -0.110281530     0.127007420     0.290815090 
H13 H    -0.050384420     0.153522110     0.259766480 
H14 H    -0.148222240     0.609995470     0.273234350 
H15 H    -0.088368290     0.636051510     0.242146620 
H16 H    -0.177390290     0.132694830     0.249809780 
H17 H    -0.117608230     0.159224040     0.218691020 
H18 H    -0.215548160     0.615079170     0.232192080 
H19 H    -0.155848120     0.640747290     0.201003530 
H20 H    -0.244719080     0.136640910     0.208988030 
H21 H    -0.185131740     0.163154660     0.177744310 
H22 H    -0.283154390     0.618446660     0.191341400 
H23 H    -0.223718050     0.643300590     0.159977360 
H24 H    -0.312436830     0.138783460     0.168473640 
H25 H    -0.253106350     0.164975850     0.137035540 
H26 H    -0.351314240     0.620451040     0.150528110 
H27 H    -0.292017040     0.641455170     0.118779890 
H28 H    -0.380358840     0.135922620     0.127787420 
H29 H    -0.320816410     0.168327550     0.096168550 
H30 H    -0.429152900     0.485765050     0.102860270 
H31 H    -0.441241110     0.786013900     0.064966460 
H32 H    -0.478284340     1.072503880     0.029860680 
H33 H    -0.463924870     1.388428840    -0.018634390 
H34 H    -0.282059730     1.226829390    -0.031861600 
H35 H    -0.296349720     0.912931030     0.016297380 
H36 H    -0.321330710     1.701698990    -0.093551060 
H37 H    -0.284985980     1.667942640    -0.060367260 
H38 H    -0.294510260     1.348382760    -0.083944260 

#END
data_-152.424_g26a_fchk_2_1327_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 19.0728
_cell_length_b 14.9936
_cell_length_c 4.2354
_cell_angle_alpha 94.9799
_cell_angle_beta 101.4162
_cell_angle_gamma 108.122
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.686225820     0.179260070     0.090837810 
C2 C     0.691011750     0.079350060     0.035167810 
C3 C     0.772230280     0.077786170     0.134131510 
C4 C     0.777639920    -0.021838670     0.079404920 
C5 C     0.858829460    -0.023423000     0.178124730 
C6 C     0.864107440    -0.123111140     0.122874270 
C7 C     0.945247690    -0.124890550     0.221003440 
C8 C     0.950337410    -0.224652110     0.164769870 
C9 C     1.031418350    -0.226690030     0.261885140 
C10 C     1.036267410    -0.326535570     0.204048740 
C11 C     1.117291620    -0.328824480     0.299712600 
C12 C     1.121882560    -0.428746590     0.239546060 
C13 C     1.202864790    -0.431066810     0.334555670 
C14 C     1.206049920    -0.531671510     0.271558210 
C15 C     1.298500770    -0.599843230     0.550565620 
C16 C     1.409687050    -0.645942610     0.810824390 
C17 C     1.489121020    -0.618573460     0.875076040 
C18 C     1.527879480    -0.669197750     1.052231800 
C19 C     1.488185570    -0.749067590     1.171301410 
C20 C     1.409264770    -0.776602120     1.108897030 
C21 C     1.370096410    -0.725650340     0.930022650 
C22 C     1.493142200    -0.882236370     1.433086950 
N1 N     1.282526300    -0.535941210     0.358403870 
N2 N     1.374698200    -0.590636200     0.627549490 
O1 O     1.249213250    -0.659121850     0.638889280 
O2 O     1.531394610    -0.794432590     1.343247800 
H1 H     0.627691320     0.178326280     0.017767700 
H2 H     0.708245570     0.211148430     0.348334550 
H3 H     0.719641220     0.226192830    -0.049403850 
H4 H     0.666868830     0.048160480    -0.222749860 
H5 H     0.655750780     0.033302960     0.172377540 
H6 H     0.807581380     0.123854620    -0.003068080 
H7 H     0.796448120     0.108997460     0.392270300 
H8 H     0.753371110    -0.053005820    -0.178713610 
H9 H     0.742286400    -0.067849720     0.216678590 
H10 H     0.894204070     0.022602050     0.040955670 
H11 H     0.883106720     0.007665730     0.436286570 
H12 H     0.839755750    -0.154193880    -0.135274470 
H13 H     0.828749490    -0.169113540     0.260144890 
H14 H     0.980635300    -0.078833180     0.083950220 
H15 H     0.969602030    -0.093958270     0.479253500 
H16 H     0.925855520    -0.255581730    -0.093447940 
H17 H     0.914997720    -0.270673770     0.302044590 
H18 H     1.066803630    -0.180548320     0.125022780 
H19 H     1.055892630    -0.196020370     0.520271530 
H20 H     1.011601870    -0.357220570    -0.054291520 
H21 H     1.000992670    -0.372625040     0.341343930 
H22 H     1.152660490    -0.282525110     0.163195420 
H23 H     1.141931070    -0.298634570     0.558295730 
H24 H     1.096996520    -0.459004240    -0.019138280 
H25 H     1.086680280    -0.474947760     0.376723720 
H26 H     1.238612070    -0.385070100     0.198717480 
H27 H     1.227542320    -0.402884130     0.593898880 
H28 H     1.181678160    -0.562465540     0.014024050 
H29 H     1.172623960    -0.577008610     0.414658210 
H30 H     1.324427440    -0.487245700     0.292028070 
H31 H     1.410332590    -0.539014390     0.541204850 
H32 H     1.520952210    -0.556691870     0.784694040 
H33 H     1.589176240    -0.648110180     1.101584510 
H34 H     1.376790530    -0.838004360     1.197496740 
H35 H     1.309053000    -0.747209510     0.882584700 
H36 H     1.537328600    -0.906107130     1.564688630 
H37 H     1.456138310    -0.873866190     1.592913080 
H38 H     1.459308270    -0.935470860     1.218405780 

#END
data_-152.417_g26a_fchk_33_3036_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 9.1374
_cell_length_b 52.6978
_cell_length_c 4.5833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.633836540     0.898537700     0.904086860 
C2 C     0.539209040     0.916943030     1.080238230 
C3 C     0.483930540     0.939433140     0.899881750 
C4 C     0.389150460     0.957960330     1.074091860 
C5 C     0.333942860     0.980453880     0.893908230 
C6 C     0.239308260     0.998968880     1.068648120 
C7 C     0.184102220     1.021498820     0.889085680 
C8 C     0.089779330     1.040003310     1.064637540 
C9 C     0.034657210     1.062592760     0.885969070 
C10 C    -0.059131470     1.081096300     1.062664990 
C11 C    -0.114004300     1.103762570     0.885028160 
C12 C    -0.206984820     1.122287740     1.063144890 
C13 C    -0.261648610     1.144971380     0.885867650 
C14 C    -0.354076990     1.163256120     1.068674810 
C15 C    -0.369808850     1.209348760     0.988263650 
C16 C    -0.419407420     1.254501560     0.843301830 
C17 C    -0.505393170     1.269661600     0.659089700 
C18 C    -0.494882040     1.295845100     0.665419340 
C19 C    -0.397676910     1.307718960     0.857260580 
C20 C    -0.312057140     1.292782990     1.041290580 
C21 C    -0.322464410     1.266371090     1.034965520 
C22 C    -0.301397180     1.346466310     1.045196390 
N1 N    -0.407027410     1.185097610     0.905715460 
N2 N    -0.436569970     1.227986710     0.822039800 
O1 O    -0.284546930     1.213596610     1.187479080 
O2 O    -0.394994410     1.333645300     0.847425360 
H1 H     0.671961030     0.882700830     1.038095410 
H2 H     0.572600100     0.890618810     0.720192140 
H3 H     0.730295750     0.908117570     0.815221340 
H4 H     0.601859270     0.924090520     1.266993950 
H5 H     0.445254350     0.906759270     1.172073520 
H6 H     0.577886020     0.949642510     0.807843400 
H7 H     0.421208950     0.932297790     0.712875430 
H8 H     0.451926190     0.965071940     1.261110860 
H9 H     0.295234130     0.947738810     1.166013540 
H10 H     0.427832810     0.990675960     0.801888010 
H11 H     0.271060510     0.973354730     0.706988170 
H12 H     0.302209110     1.006042570     1.255689200 
H13 H     0.145403850     0.988744780     1.160564640 
H14 H     0.277984380     1.031715710     0.796947360 
H15 H     0.120993260     1.014443930     0.702252660 
H16 H     0.152907820     1.047015310     1.251687060 
H17 H    -0.004152480     1.029787770     1.156551170 
H18 H     0.128567100     1.072788860     0.793628100 
H19 H    -0.028825850     1.055609540     0.699303590 
H20 H     0.004359680     1.088018090     1.249687960 
H21 H    -0.153162060     1.070910840     1.154565220 
H22 H    -0.020035700     1.113916410     0.792334290 
H23 H    -0.178140020     1.096895000     0.698785360 
H24 H    -0.142835380     1.129089610     1.249984660 
H25 H    -0.301116090     1.112146780     1.155139340 
H26 H    -0.168351800     1.155264440     0.792744790 
H27 H    -0.328348480     1.138379170     0.702605260 
H28 H    -0.291064570     1.170256340     1.255057820 
H29 H    -0.449747920     1.153324270     1.153910600 
H30 H    -0.478746120     1.182174760     0.742560110 
H31 H    -0.505157750     1.222244330     0.663100810 
H32 H    -0.581588900     1.260782570     0.508631380 
H33 H    -0.561165860     1.307541260     0.523088710 
H34 H    -0.235786940     1.301346670     1.192439700 
H35 H    -0.256057400     1.254904550     1.177878980 
H36 H    -0.315212010     1.366619100     1.000727400 
H37 H    -0.331508740     1.342598680     1.272391060 
H38 H    -0.186559440     1.341221510     1.011329910 

#END
data_-152.154_g26a_fchk_2_7480_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 30.9295
_cell_length_b 4.5306
_cell_length_c 36.4842
_cell_angle_alpha 119.9027
_cell_angle_beta 148.9053
_cell_angle_gamma 87.9639
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.064627710     0.402679450     0.814412140 
C2 C     0.092731630     0.156844320     0.801235200 
C3 C     0.127603540     0.308335780     0.794739340 
C4 C     0.155897870     0.064423200     0.781550770 
C5 C     0.190658690     0.215396270     0.774950960 
C6 C     0.218741810    -0.029607850     0.761593510 
C7 C     0.253314480     0.119912610     0.754755520 
C8 C     0.280960950    -0.127122050     0.741029300 
C9 C     0.315159850     0.019983980     0.733748870 
C10 C     0.342058090    -0.230360570     0.719366020 
C11 C     0.375645330    -0.086579760     0.711408140 
C12 C     0.401407870    -0.341740190     0.695994800 
C13 C     0.434674960    -0.199344330     0.687727290 
C14 C     0.459656770    -0.460367310     0.671974980 
C15 C     0.363416680    -0.682055480     0.525433900 
C16 C     0.312828440    -0.787363650     0.414667910 
C17 C     0.390084330    -0.552673920     0.450776940 
C18 C     0.303629020    -0.771487460     0.342703630 
C19 C     0.136432000    -1.234321150     0.194459870 
C20 C     0.058723600    -1.470669600     0.157596560 
C21 C     0.145830360    -1.249944670     0.266558480 
C22 C    -0.111863070    -1.923816550    -0.060894370 
N1 N     0.490765300    -0.334552190     0.663055480 
N2 N     0.410157980    -0.536674880     0.531806180 
O1 O     0.224166660    -1.072605600     0.410974680 
O2 O     0.061675550    -1.419894740     0.095883280 
H1 H     0.039779420     0.287238010     0.818577110 
H2 H     0.177833550     0.968705940     0.928389660 
H3 H    -0.045366190     0.144969200     0.706497830 
H4 H    -0.020620270    -0.407766480     0.688444160 
H5 H     0.201015600     0.410538060     0.908714070 
H6 H     0.019291610     0.054629940     0.687195910 
H7 H     0.241043080     0.873388080     0.907588560 
H8 H     0.042454870    -0.500496910     0.668740700 
H9 H     0.264216000     0.318358450     0.889123830 
H10 H     0.082383150    -0.038315820     0.667415160 
H11 H     0.304168980     0.780302960     0.887793340 
H12 H     0.105252130    -0.594429690     0.648811140 
H13 H     0.327054240     0.224334850     0.869166470 
H14 H     0.145078570    -0.133524280     0.647265170 
H15 H     0.366946100     0.684756040     0.867619410 
H16 H     0.167374340    -0.691809120     0.628274930 
H17 H     0.389282680     0.126792820     0.848594930 
H18 H     0.206976410    -0.232944490     0.626344580 
H19 H     0.428991050     0.584702890     0.846649540 
H20 H     0.228304600    -0.794874000     0.606632260 
H21 H     0.450415700     0.023468480     0.826908580 
H22 H     0.267556540    -0.338574090     0.604167350 
H23 H     0.489825700     0.477837890     0.824387600 
H24 H     0.287270390    -0.906290660     0.583154940 
H25 H     0.509751980    -0.088346990     0.803444410 
H26 H     0.327038600    -0.450547140     0.580630130 
H27 H     0.550433260     0.364117180     0.801479030 
H28 H     0.346328820    -1.023522050     0.559475480 
H29 H     0.570234830    -0.194640460     0.781094440 
H30 H     0.603668720    -0.021311950     0.754701560 
H31 H     0.528652580    -0.206039310     0.632587550 
H32 H     0.519884930    -0.193158750     0.565319520 
H33 H     0.363315370    -0.589908590     0.370650270 
H34 H    -0.070490080    -1.829148330     0.043976660 
H35 H     0.085113590    -1.434617620     0.237418200 
H36 H    -0.145509050    -1.992693360    -0.118034520 
H37 H    -0.198586530    -2.427377070    -0.144020660 
H38 H    -0.126509410    -1.741654030    -0.044212200 

#END
data_-152.074_g26a_fchk_18_2265_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 1/2-x,1/2+y,-z
4 -x,-y,+z
_cell_length_a 51.0369
_cell_length_b 9.6205
_cell_length_c 4.5044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.407206250     0.430270670     0.930185190 
C2 C     0.428378700     0.505403810     0.751185140 
C3 C     0.449169470     0.574637360     0.946441780 
C4 C     0.470442190     0.650090520     0.769508440 
C5 C     0.491221070     0.719386370     0.964633320 
C6 C     0.512458940     0.794893130     0.787221540 
C7 C     0.533246210     0.864437480     0.981807790 
C8 C     0.554419970     0.940098780     0.803717070 
C9 C     0.575209280     1.010065390     0.997577450 
C10 C     0.596283500     1.086046970     0.818598140 
C11 C     0.617054250     1.156596680     1.011703210 
C12 C     0.637991560     1.233140350     0.831727070 
C13 C     0.658732120     1.303892050     1.024604450 
C14 C     0.679421180     1.379993300     0.839817780 
C15 C     0.722963690     1.385206300     1.074285830 
C16 C     0.764578050     1.427456120     1.357949950 
C17 C     0.776024540     1.514176240     1.572169030 
C18 C     0.801053500     1.489155280     1.677301640 
C19 C     0.815454980     1.376037590     1.571049290 
C20 C     0.804195530     1.289281400     1.358550870 
C21 C     0.778960610     1.314463580     1.252145340 
C22 C     0.855204420     1.246025880     1.587199990 
N1 N     0.699352320     1.448876310     1.017817120 
N2 N     0.739043760     1.460680990     1.262205870 
O1 O     0.728896080     1.273583740     0.964190940 
O2 O     0.839988500     1.359911930     1.687986230 
H1 H     0.392612960     0.382016460     0.785476190 
H2 H     0.415730520     0.348394200     1.068455560 
H3 H     0.396929420     0.502355920     1.077710430 
H4 H     0.419257520     0.584353410     0.609263820 
H5 H     0.437955240     0.431621660     0.600698730 
H6 H     0.439606320     0.648521860     1.097176140 
H7 H     0.458310310     0.495692570     1.088600410 
H8 H     0.461282160     0.728940590     0.627315920 
H9 H     0.479995110     0.576147750     0.618882370 
H10 H     0.481673790     0.793311050     1.115345440 
H11 H     0.500402520     0.640569290     1.106705930 
H12 H     0.503262010     0.873606310     0.644990060 
H13 H     0.522008880     0.720941570     0.636600840 
H14 H     0.523699290     0.938320600     1.132622310 
H15 H     0.542482340     0.785763330     1.123780040 
H16 H     0.545159460     1.018594970     0.661459670 
H17 H     0.563978070     0.866178650     0.653103490 
H18 H     0.565651200     1.083834290     1.148563120 
H19 H     0.584534800     0.931623290     1.139358100 
H20 H     0.586925710     1.164232380     0.676354000 
H21 H     0.605870740     1.012236090     0.668011640 
H22 H     0.607472430     1.230140790     1.162979900 
H23 H     0.626530120     1.078528110     1.153003890 
H24 H     0.628477860     1.310960440     0.689722600 
H25 H     0.647613270     1.159520560     0.681088810 
H26 H     0.649323920     1.377821640     1.176272000 
H27 H     0.668705160     1.226565830     1.162386150 
H28 H     0.670181960     1.458314170     0.698140110 
H29 H     0.689460190     1.306067710     0.695524130 
H30 H     0.694888250     1.540235660     1.114069170 
H31 H     0.732073100     1.551629060     1.340033380 
H32 H     0.765136700     1.602547270     1.657478210 
H33 H     0.809892030     1.556149840     1.842453810 
H34 H     0.814782360     1.200824630     1.271672180 
H35 H     0.770334520     1.246999490     1.087904650 
H36 H     0.873774450     1.252633080     1.705312950 
H37 H     0.845780050     1.146489550     1.638430010 
H38 H     0.858840510     1.252084960     1.347709420 

#END
data_-151.789_g26a_fchk_2_9115_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 5.6668
_cell_length_b 12.7887
_cell_length_c 50.2376
_cell_angle_alpha 34.4203
_cell_angle_beta 46.5307
_cell_angle_gamma 33.3071
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.232106100     0.411291250     0.461628500 
C2 C     0.637964900     0.207013530     0.457653160 
C3 C     0.606094080     0.259661890     0.419237080 
C4 C     1.010494270     0.056406040     0.414971780 
C5 C     0.978652870     0.108906890     0.376590580 
C6 C     1.383261960    -0.094711600     0.372421980 
C7 C     1.352098750    -0.042828240     0.334105870 
C8 C     1.756851910    -0.247036070     0.330102770 
C9 C     1.726501980    -0.196070670     0.291896330 
C10 C     2.131277040    -0.401164570     0.288143760 
C11 C     2.101554390    -0.351293490     0.250094950 
C12 C     2.506083410    -0.557579160     0.246679500 
C13 C     2.476306470    -0.508055790     0.208714230 
C14 C     2.884050270    -0.717023260     0.206026520 
C15 C     2.943045330    -0.531257520     0.123799120 
C16 C     2.948317800    -0.366676640     0.044951780 
C17 C     2.897318810    -0.373718750     0.022893790 
C18 C     2.956035650    -0.251102780    -0.025104220 
C19 C     3.067731610    -0.116917230    -0.052636030 
C20 C     3.118278470    -0.108741400    -0.030980700 
C21 C     3.059490860    -0.232491370     0.017433740 
C22 C     3.291245780     0.106237070    -0.127724500 
N1 N     2.863867870    -0.675268540     0.170313850 
N2 N     2.884033260    -0.497421260     0.094008360 
O1 O     3.058770480    -0.445651350     0.110862950 
O2 O     3.119000460    -0.002282900    -0.099671760 
H1 H     0.263328780     0.368858280     0.489332300 
H2 H     0.164438840     0.584386860     0.428557970 
H3 H    -0.048141100     0.440317010     0.469794790 
H4 H     0.704387430     0.034674500     0.491545330 
H5 H     0.915011230     0.177989060     0.450518330 
H6 H     0.328878600     0.288743200     0.426342210 
H7 H     0.539587520     0.432147880     0.385297140 
H8 H     1.076863800    -0.115999040     0.448930410 
H9 H     1.287490860     0.027460460     0.407864170 
H10 H     0.701613460     0.137926530     0.383680750 
H11 H     0.912627810     0.281190200     0.342617660 
H12 H     1.449332530    -0.266989740     0.406419070 
H13 H     1.660224280    -0.123643530     0.365316950 
H14 H     1.074948810    -0.013697710     0.341181640 
H15 H     1.286707500     0.129222150     0.300083940 
H16 H     1.822357260    -0.419087120     0.364164380 
H17 H     2.033882000    -0.275998260     0.322989490 
H18 H     1.449057770    -0.166704870     0.298959050 
H19 H     1.662179140    -0.024417840     0.257796640 
H20 H     2.195853390    -0.572854350     0.322301560 
H21 H     2.408547490    -0.430230660     0.281000560 
H22 H     1.823566670    -0.321494710     0.257138570 
H23 H     2.039213480    -0.180397910     0.215877110 
H24 H     2.568901620    -0.728679060     0.280985860 
H25 H     2.783728230    -0.586887410     0.239515310 
H26 H     2.199515260    -0.478451410     0.215529770 
H27 H     2.422821830    -0.340455850     0.174229240 
H28 H     2.949110770    -0.888514700     0.239987230 
H29 H     3.158438140    -0.741919690     0.197684650 
H30 H     2.764668510    -0.741323260     0.179886950 
H31 H     2.787456010    -0.576817590     0.108634610 
H32 H     2.810438040    -0.476928340     0.043695420 
H33 H     2.916987470    -0.256707050    -0.042116290 
H34 H     3.204363360    -0.006596240    -0.051227170 
H35 H     3.098725720    -0.225470760     0.034009410 
H36 H     3.306777270     0.185241620    -0.163405930 
H37 H     3.084878690     0.251081940    -0.127404450 
H38 H     3.615072910    -0.029710900    -0.116011710 

#END
data_-151.728_g26a_fchk_2_6744_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.8004
_cell_length_b 9.8267
_cell_length_c 31.9116
_cell_angle_alpha 127.4842
_cell_angle_beta 69.9857
_cell_angle_gamma 100.8432
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.331285750     0.846507280     0.024708630 
C2 C     0.404642310     0.802039360     0.058190190 
C3 C     0.190621050     0.674992860     0.064670090 
C4 C     0.262078220     0.629659260     0.098102810 
C5 C     0.048063830     0.502736050     0.104617740 
C6 C     0.119780030     0.457725430     0.138111940 
C7 C    -0.094119180     0.330986230     0.144751580 
C8 C    -0.022156860     0.286550980     0.178365990 
C9 C    -0.236026310     0.160150780     0.185208390 
C10 C    -0.163915600     0.116608970     0.219027870 
C11 C    -0.377967940    -0.009258330     0.226139880 
C12 C    -0.305987120    -0.051565560     0.260271020 
C13 C    -0.520162460    -0.177123560     0.267480920 
C14 C    -0.444170850    -0.217196430     0.301840940 
C15 C    -0.915223450    -0.279088150     0.349583800 
C16 C    -1.355741510    -0.392243790     0.389276000 
C17 C    -1.486969800    -0.544686470     0.380271760 
C18 C    -1.766016650    -0.542768070     0.413014920 
C19 C    -1.922938660    -0.387574970     0.455991220 
C20 C    -1.793786840    -0.235558870     0.465245870 
C21 C    -1.512449120    -0.237323000     0.432223360 
C22 C    -2.345215640    -0.243828860     0.534668870 
N1 N    -0.645354570    -0.335838870     0.309586930 
N2 N    -1.071376070    -0.405766940     0.353895960 
O1 O    -1.005585260    -0.131111770     0.377686200 
O2 O    -2.196778060    -0.398714400     0.486013560 
H1 H     0.487093050     0.937515520     0.020795980 
H2 H     0.339828880     0.731701290    -0.016979290 
H3 H     0.108077500     0.903983700     0.044252800 
H4 H     0.401916010     0.919638890     0.099217110 
H5 H     0.631396360     0.748337420     0.038419830 
H6 H    -0.036441390     0.728612290     0.084457670 
H7 H     0.193181730     0.557234090     0.023623510 
H8 H     0.259639650     0.747489320     0.139122350 
H9 H     0.489116360     0.576046620     0.078289540 
H10 H    -0.179010890     0.556290340     0.124417040 
H11 H     0.050583910     0.384828170     0.063612220 
H12 H     0.117497370     0.575707170     0.179094340 
H13 H     0.346821150     0.404124170     0.118295930 
H14 H    -0.321220420     0.384497250     0.164528700 
H15 H    -0.091628570     0.212861040     0.103789650 
H16 H    -0.024227600     0.404793580     0.219288550 
H17 H     0.204849480     0.232917000     0.158558720 
H18 H    -0.463130470     0.213634570     0.204935360 
H19 H    -0.233560050     0.041675590     0.144318960 
H20 H    -0.165731110     0.235248860     0.259863160 
H21 H     0.062969060     0.062856460     0.199250590 
H22 H    -0.605044300     0.044191900     0.245771710 
H23 H    -0.375397050    -0.128295140     0.185376760 
H24 H    -0.307736520     0.067723260     0.301000620 
H25 H    -0.079260210    -0.105411880     0.240557510 
H26 H    -0.747802440    -0.124549850     0.287178790 
H27 H    -0.515090440    -0.297817580     0.227083370 
H28 H    -0.446442270    -0.099278630     0.342654470 
H29 H    -0.221463140    -0.274892440     0.281473640 
H30 H    -0.575316460    -0.458138750     0.287428160 
H31 H    -0.974626900    -0.523536650     0.328537970 
H32 H    -1.368434930    -0.666516150     0.347093810 
H33 H    -1.867353860    -0.660434340     0.406034500 
H34 H    -1.908944130    -0.113253820     0.498146370 
H35 H    -1.413461310    -0.119375980     0.439572990 
H36 H    -2.556358600    -0.280907950     0.551881110 
H37 H    -2.219501780    -0.174538740     0.564871640 
H38 H    -2.386289120    -0.159574290     0.525575500 

#END
data_-151.594_g26a_fchk_14_14740_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 10.4702
_cell_length_b 54.2808
_cell_length_c 9.439
_cell_angle_alpha 90.0
_cell_angle_beta 24.6296
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.292315120     0.623110170     0.715533330 
C2 C     0.388450340     0.606129890     0.497122530 
C3 C     0.487452140     0.580523830     0.447507090 
C4 C     0.584078500     0.563392960     0.229357140 
C5 C     0.683241210     0.537798210     0.179530800 
C6 C     0.780059220     0.520707580    -0.038983390 
C7 C     0.879710470     0.495109340    -0.089586690 
C8 C     0.977008610     0.478085680    -0.308813830 
C9 C     1.077530740     0.452487530    -0.360673760 
C10 C     1.175752770     0.435560770    -0.581120880 
C11 C     1.277545490     0.409975420    -0.634639840 
C12 C     1.377307450     0.393171810    -0.856946580 
C13 C     1.479606580     0.367610870    -0.911055700 
C14 C     1.578913680     0.351159350    -1.134673370 
C15 C     1.523013170     0.306044590    -1.077967990 
C16 C     1.535129000     0.260142770    -1.057047570 
C17 C     1.656786190     0.241494990    -1.093517280 
C18 C     1.571064150     0.217152680    -1.024857590 
C19 C     1.359869620     0.210693310    -0.916857230 
C20 C     1.237626060     0.229125520    -0.879499390 
C21 C     1.324074700     0.253682370    -0.948927550 
C22 C     1.103594210     0.178475400    -0.782742530 
N1 N     1.678848240     0.326742660    -1.191755190 
N2 N     1.635629240     0.284436540    -1.133487760 
O1 O     1.308804920     0.307024480    -0.945010710 
O2 O     1.289703770     0.186200520    -0.855598220 
H1 H     0.223260570     0.641258320     0.746395620 
H2 H     0.098963710     0.615339820     0.969284620 
H3 H     0.480527300     0.625772280     0.600836070 
H4 H     0.577023140     0.614622830     0.247738110 
H5 H     0.198403550     0.604217590     0.613558130 
H6 H     0.677691090     0.582414440     0.330959580 
H7 H     0.298845010     0.572007660     0.697004000 
H8 H     0.772533930     0.571930350    -0.019963220 
H9 H     0.393746910     0.561510850     0.346069010 
H10 H     0.873522020     0.539673960     0.062902740 
H11 H     0.494793290     0.529243780     0.428753130 
H12 H     0.968320800     0.529283390    -0.288055800 
H13 H     0.589717140     0.518828270     0.077746950 
H14 H     1.069905240     0.496983830    -0.206077480 
H15 H     0.691415370     0.486504100     0.159338130 
H16 H     1.164978160     0.486725970    -0.557484600 
H17 H     0.786711780     0.476197870    -0.192141550 
H18 H     1.267517940     0.454371890    -0.476848340 
H19 H     0.889480850     0.443799970    -0.112243070 
H20 H     1.363323120     0.444297630    -0.829203250 
H21 H     0.985611320     0.433642650    -0.464648530 
H22 H     1.467127330     0.411881910    -0.750213430 
H23 H     1.089866140     0.401153900    -0.387068030 
H24 H     1.564530750     0.402053080    -1.104295690 
H25 H     1.187479040     0.391217570    -0.740885780 
H26 H     1.669554550     0.369341210    -1.027123460 
H27 H     1.292022040     0.358412350    -0.666011970 
H28 H     1.766471920     0.359773390    -1.382678880 
H29 H     1.387534430     0.348695570    -1.014756430 
H30 H     1.852596230     0.325399860    -1.297294610 
H31 H     1.813542950     0.285859500    -1.245346730 
H32 H     1.821083090     0.246155100    -1.177030980 
H33 H     1.665146020     0.202761330    -1.053262650 
H34 H     1.073627290     0.224776410    -0.796297740 
H35 H     1.228714740     0.267872020    -0.919441390 
H36 H     1.077014990     0.158638290    -0.744124230 
H37 H     0.877318100     0.187230620    -0.551487070 
H38 H     1.212251530     0.182440690    -0.994497310 

#END
data_-151.590_g26a_fchk_18_14809_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 1/2-x,1/2+y,-z
4 -x,-y,+z
_cell_length_a 41.681
_cell_length_b 12.3394
_cell_length_c 4.2577
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.305264390     0.140034770     0.405770410 
C2 C     0.313960390     0.253333320     0.287330110 
C3 C     0.349633360     0.265708490     0.209800440 
C4 C     0.358583670     0.378766890     0.091103480 
C5 C     0.394246990     0.391187920     0.013755460 
C6 C     0.403146620     0.504344440    -0.104597330 
C7 C     0.438804790     0.517034760    -0.181749250 
C8 C     0.447632930     0.630345520    -0.299367960 
C9 C     0.483288970     0.643425940    -0.376048650 
C10 C     0.492028140     0.756970640    -0.492397410 
C11 C     0.527686530     0.770493580    -0.568195750 
C12 C     0.536334720     0.884358190    -0.682603840 
C13 C     0.571981860     0.897990290    -0.757868280 
C14 C     0.580065360     1.012533600    -0.871124930 
C15 C     0.623540250     1.106966330    -1.150510280 
C16 C     0.673962510     1.177623840    -1.400348190 
C17 C     0.706897910     1.157231350    -1.434030490 
C18 C     0.726050400     1.223411840    -1.617435850 
C19 C     0.712776350     1.312370010    -1.773674040 
C20 C     0.680060500     1.333041870    -1.741744210 
C21 C     0.660720210     1.266406950    -1.556628070 
C22 C     0.722284130     1.472491810    -2.073015160 
N1 N     0.613880220     1.027968510    -0.943120650 
N2 N     0.656231670     1.106440920    -1.208277200 
O1 O     0.604739100     1.171336710    -1.266943290 
O2 O     0.733599390     1.372972510    -1.948929810 
H1 H     0.279695020     0.133504950     0.459728870 
H2 H     0.310976600     0.078286400     0.229951030 
H3 H     0.318618930     0.120069560     0.619367270 
H4 H     0.307256940     0.313776760     0.464325530 
H5 H     0.299750390     0.272236330     0.077653330 
H6 H     0.363882410     0.246808670     0.419521120 
H7 H     0.356367200     0.205234630     0.032654820 
H8 H     0.351824120     0.439176720     0.268296300 
H9 H     0.344329410     0.397595990    -0.118587370 
H10 H     0.408508960     0.372336270     0.223378900 
H11 H     0.401014720     0.330856590    -0.163608570 
H12 H     0.396345020     0.564645540     0.072751120 
H13 H     0.388889870     0.523163600    -0.314271510 
H14 H     0.453069610     0.498137470     0.027826260 
H15 H     0.445615840     0.456877720    -0.359445280 
H16 H     0.440764230     0.690457390    -0.121720490 
H17 H     0.433385510     0.649189670    -0.509075220 
H18 H     0.497545980     0.624413970    -0.166503690 
H19 H     0.490168590     0.583560260    -0.554293060 
H20 H     0.485063250     0.816789070    -0.314256700 
H21 H     0.477813790     0.775902160    -0.702226570 
H22 H     0.541923620     0.751265160    -0.358699520 
H23 H     0.534667680     0.711151190    -0.747404400 
H24 H     0.529247950     0.943711580    -0.503464310 
H25 H     0.522160690     0.903443900    -0.892502610 
H26 H     0.586401200     0.879098260    -0.549433890 
H27 H     0.579095390     0.840651330    -0.941175570 
H28 H     0.573231900     1.072443760    -0.693848020 
H29 H     0.566584430     1.030441120    -1.084608710 
H30 H     0.629869050     0.975329830    -0.853268950 
H31 H     0.669435880     1.049380210    -1.099028950 
H32 H     0.717644590     1.088474310    -1.314556780 
H33 H     0.751471690     1.207712280    -1.643214710 
H34 H     0.669008440     1.401131960    -1.859445850 
H35 H     0.635424400     1.282709150    -1.532844360 
H36 H     0.742351730     1.507489340    -2.201488810 
H37 H     0.702113250     1.460064740    -2.234238330 
H38 H     0.714926770     1.528306250    -1.886124180 

#END
data_-151.561_g26a_fchk_2_8087_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.8852
_cell_length_b 13.0571
_cell_length_c 47.8034
_cell_angle_alpha 152.4629
_cell_angle_beta 119.3331
_cell_angle_gamma 54.2038
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.046474000     0.600102470     0.832662010 
C2 C     0.374677420     0.578122490     0.858669710 
C3 C     0.316460810     0.682801180     0.910687280 
C4 C     0.643229740     0.661708700     0.937026120 
C5 C     0.585114780     0.766465630     0.989052660 
C6 C     0.912215240     0.745385480     1.015359850 
C7 C     0.854810160     0.850278190     1.067447520 
C8 C     1.182341650     0.829372420     1.093733950 
C9 C     1.125886150     0.934601100     1.145934190 
C10 C     1.453955820     0.914139830     1.172232740 
C11 C     1.398448280     1.019986510     1.224597220 
C12 C     1.727085550     1.000390560     1.250977670 
C13 C     1.671747940     1.106536490     1.303390470 
C14 C     2.003789310     1.085351420     1.329112780 
C15 C     1.905187420     1.061221030     1.368769080 
C16 C     1.791031430     1.111223490     1.426791570 
C17 C     1.738301680     1.273201490     1.485579260 
C18 C     1.684040220     1.211725090     1.494915650 
C19 C     1.680577240     0.985370490     1.445503020 
C20 C     1.732226780     0.823610840     1.386955330 
C21 C     1.787256300     0.885318190     1.377475070 
C22 C     1.646320020     0.707803040     1.410768990 
N1 N     1.958527270     1.185997320     1.379272720 
N2 N     1.845611180     1.187988170     1.421349300 
O1 O     1.914482440     0.857381050     1.317624670 
O2 O     1.625309360     0.941189600     1.459277670 
H1 H     0.095305100     0.524375190     0.795701870 
H2 H    -0.088638800     0.506662280     0.814837440 
H3 H    -0.123597080     0.787216930     0.867572460 
H4 H     0.509026210     0.667917880     0.874778570 
H5 H     0.543321180     0.389680990     0.822533780 
H6 H     0.147682180     0.871436110     0.946888870 
H7 H     0.181974780     0.593037090     0.894607660 
H8 H     0.777605720     0.751384620     0.953056680 
H9 H     0.811817180     0.473060910     0.900804930 
H10 H     0.416460420     0.955101140     1.025275900 
H11 H     0.450988140     0.676728060     0.973036050 
H12 H     1.046374320     0.834965670     1.031316010 
H13 H     1.080777560     0.556736220     0.979134200 
H14 H     0.686033690     1.038889990     1.103662310 
H15 H     0.721138000     0.760540510     1.051505460 
H16 H     1.316093860     0.918829290     1.109572480 
H17 H     1.350954030     0.640745400     1.057525100 
H18 H     0.956823280     1.123145570     1.182111640 
H19 H     0.992984330     0.844851010     1.130111260 
H20 H     1.587041430     1.003457280     1.187903730 
H21 H     1.622743850     0.725588700     1.136082830 
H22 H     1.228859110     1.208387610     1.260696810 
H23 H     1.266994970     0.930135330     1.208956010 
H24 H     1.858942580     1.089751930     1.266449250 
H25 H     1.896195920     0.811987410     1.214915560 
H26 H     1.502846170     1.295093540     1.339753800 
H27 H     1.546822900     1.014957150     1.288008130 
H28 H     2.136978690     1.174700420     1.344936180 
H29 H     2.168459930     0.897500220     1.293609360 
H30 H     1.945972920     1.354679370     1.421913360 
H31 H     1.843512840     1.355351900     1.461127680 
H32 H     1.739965840     1.449939910     1.524539570 
H33 H     1.643607660     1.336682910     1.540287330 
H34 H     1.731000440     0.647061160     1.347712430 
H35 H     1.826878990     0.759598340     1.332097600 
H36 H     1.596221350     0.710717250     1.431324700 
H37 H     1.457088950     0.659719150     1.378324180 
H38 H     1.898774760     0.574279910     1.386722570 

#END
data_-151.214_g26a_fchk_15_21710_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 46.077
_cell_length_b 5.4473
_cell_length_c 18.7328
_cell_angle_alpha 90.0
_cell_angle_beta 108.87
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.353737810     0.456727230     0.168050140 
C2 C     0.379544930     0.290801570     0.161507990 
C3 C     0.395092040     0.144139460     0.233448110 
C4 C     0.420944420    -0.022444390     0.227490500 
C5 C     0.436504320    -0.168977110     0.299412940 
C6 C     0.462369560    -0.335245270     0.293348560 
C7 C     0.477996370    -0.481767200     0.365227670 
C8 C     0.503892120    -0.647419300     0.359025320 
C9 C     0.519624720    -0.793803340     0.430864930 
C10 C     0.545580600    -0.958454100     0.424505740 
C11 C     0.561447430    -1.104442350     0.496332290 
C12 C     0.587505950    -1.267649320     0.489838880 
C13 C     0.603411850    -1.413284060     0.561655410 
C14 C     0.629423850    -1.574687520     0.553875900 
C15 C     0.672614720    -1.635634260     0.670934120 
C16 C     0.712773660    -1.769763980     0.790742740 
C17 C     0.720866930    -1.959865970     0.844070900 
C18 C     0.747322880    -1.946973140     0.905718080 
C19 C     0.766592610    -1.742677510     0.915917660 
C20 C     0.758728200    -1.553252790     0.863101200 
C21 C     0.732038120    -1.565931680     0.800929260 
C22 C     0.812138220    -1.541496790     0.991408980 
N1 N     0.645070090    -1.714595570     0.621555930 
N2 N     0.685386000    -1.797233380     0.729794520 
O1 O     0.684113900    -1.439853750     0.663029760 
O2 O     0.792163900    -1.746581500     0.978489380 
H1 H     0.343078820     0.559448170     0.116005090 
H2 H     0.335770520     0.349257710     0.179975840 
H3 H     0.362362790     0.589700880     0.213829910 
H4 H     0.396823720     0.402150700     0.147680260 
H5 H     0.370442260     0.163235740     0.114253960 
H6 H     0.404213820     0.271643040     0.280790450 
H7 H     0.377814050     0.032626490     0.247338630 
H8 H     0.438198130     0.089197250     0.213556570 
H9 H     0.411805060    -0.149876680     0.180150010 
H10 H     0.445639420    -0.041599650     0.346769980 
H11 H     0.419266290    -0.280803050     0.313341650 
H12 H     0.479585440    -0.223334580     0.279349120 
H13 H     0.453227420    -0.462654420     0.246005220 
H14 H     0.487120490    -0.354406860     0.412595570 
H15 H     0.460805730    -0.594027030     0.379203210 
H16 H     0.521045740    -0.535034380     0.344927000 
H17 H     0.494758630    -0.774887540     0.311696460 
H18 H     0.528717870    -0.666385760     0.478232400 
H19 H     0.502511840    -0.906774660     0.444910650 
H20 H     0.562642100    -0.845331130     0.410273250 
H21 H     0.536477320    -1.086134590     0.377228140 
H22 H     0.570480220    -0.976898170     0.543688150 
H23 H     0.544465640    -1.218625590     0.510457680 
H24 H     0.604442270    -1.153272280     0.475474430 
H25 H     0.578453290    -1.395556860     0.442620800 
H26 H     0.612563930    -1.287113680     0.609293550 
H27 H     0.586807010    -1.531795200     0.575495400 
H28 H     0.646533070    -1.462545990     0.539865590 
H29 H     0.620272460    -1.706190850     0.508159940 
H30 H     0.636293350    -1.877985520     0.629074380 
H31 H     0.673842800    -1.953771460     0.730542830 
H32 H     0.706190660    -2.120118510     0.837092760 
H33 H     0.753553570    -2.093608980     0.946898630 
H34 H     0.773121250    -1.392626050     0.869245320 
H35 H     0.726067430    -1.418988740     0.760214380 
H36 H     0.830648950    -1.580799970     1.043430570 
H37 H     0.821711090    -1.516603150     0.945403140 
H38 H     0.800476110    -1.372272010     0.998435620 

#END
data_-151.163_g26a_fchk_2_5202_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.5263
_cell_length_b 10.6067
_cell_length_c 26.923
_cell_angle_alpha 61.7821
_cell_angle_beta 92.0867
_cell_angle_gamma 99.1538
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.378398740     0.450370100     0.250043830 
C2 C     0.532064930     0.409838340     0.211132360 
C3 C     0.320960360     0.387344420     0.169276800 
C4 C     0.472510860     0.346756790     0.130152380 
C5 C     0.261497530     0.324175170     0.088327060 
C6 C     0.413468360     0.283453770     0.049284350 
C7 C     0.202869440     0.260625590     0.007460990 
C8 C     0.355389020     0.219610290    -0.031429890 
C9 C     0.145300150     0.196347020    -0.073225720 
C10 C     0.298470450     0.154802440    -0.111877550 
C11 C     0.088829060     0.130907280    -0.153592100 
C12 C     0.242614510     0.088523370    -0.191909900 
C13 C     0.033078840     0.064366400    -0.233546050 
C14 C     0.191632910     0.021788740    -0.271318550 
C15 C    -0.066816140     0.112069260    -0.360776110 
C16 C    -0.376684030     0.160076650    -0.445343260 
C17 C    -0.593513460     0.093488310    -0.467815470 
C18 C    -0.709230120     0.172959980    -0.519777270 
C19 C    -0.611313310     0.322174000    -0.550969710 
C20 C    -0.396285880     0.389134680    -0.528874160 
C21 C    -0.279207450     0.309086810    -0.476490090 
C22 C    -0.631654060     0.540880580    -0.636374830 
N1 N    -0.002940820    -0.002554590    -0.311209460 
N2 N    -0.269954590     0.071069020    -0.392252670 
O1 O     0.049634600     0.236972140    -0.375131950 
O2 O    -0.738431180     0.391295240    -0.601797160 
H1 H     0.533925660     0.465558900     0.279512820 
H2 H     0.287924530     0.551198400     0.225745280 
H3 H     0.191890650     0.365784380     0.274885680 
H4 H     0.627134420     0.310643770     0.236558530 
H5 H     0.721828090     0.494684780     0.187705490 
H6 H     0.130913440     0.302431180     0.192679040 
H7 H     0.225668840     0.486579010     0.143806900 
H8 H     0.567868450     0.247578200     0.155657750 
H9 H     0.662472720     0.431711880     0.106767430 
H10 H     0.071463720     0.239251210     0.111698170 
H11 H     0.166256100     0.423357000     0.062779220 
H12 H     0.508905490     0.184339500     0.074860360 
H13 H     0.603427200     0.368412140     0.025905160 
H14 H     0.012755410     0.175746560     0.030827900 
H15 H     0.107694270     0.359765340    -0.018193700 
H16 H     0.450913600     0.120589780    -0.005731430 
H17 H     0.545331190     0.304553270    -0.054824640 
H18 H    -0.044934250     0.111565150    -0.049843470 
H19 H     0.050261120     0.295418660    -0.099054930 
H20 H     0.394066640     0.055906390    -0.085990880 
H21 H     0.488352890     0.239693400    -0.135327990 
H22 H    -0.101598440     0.046311660    -0.130175440 
H23 H    -0.005818090     0.229875240    -0.179714390 
H24 H     0.338047010    -0.010295690    -0.165715640 
H25 H     0.432478700     0.173289280    -0.215421770 
H26 H    -0.157801710    -0.020271220    -0.210479200 
H27 H    -0.058138350     0.163407590    -0.260649540 
H28 H     0.286687360    -0.077000440    -0.245681120 
H29 H     0.375697400     0.107848310    -0.295794150 
H30 H    -0.104636760    -0.104226810    -0.300195700 
H31 H    -0.351800550    -0.035336070    -0.376171930 
H32 H    -0.672457300    -0.022325240    -0.444193590 
H33 H    -0.876394530     0.121538130    -0.537133470 
H34 H    -0.315656970     0.504365370    -0.551871250 
H35 H    -0.113054010     0.361410540    -0.459571840 
H36 H    -0.759689190     0.573992870    -0.674322750 
H37 H    -0.668349680     0.604851500    -0.615615960 
H38 H    -0.392784120     0.560426620    -0.647975830 

#END
data_-151.098_g26a_fchk_2_15543_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 9.1982
_cell_length_b 28.6535
_cell_length_c 4.3628
_cell_angle_alpha 100.0903
_cell_angle_beta 88.2985
_cell_angle_gamma 87.8435
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.162114480     0.305458800     0.883238020 
C2 C     0.262328510     0.345247210     0.836567960 
C3 C     0.179252250     0.391216010     0.801770250 
C4 C     0.278515320     0.431247040     0.754966110 
C5 C     0.195503420     0.477198000     0.719981320 
C6 C     0.294991280     0.517163750     0.672890350 
C7 C     0.212262560     0.563140280     0.637440790 
C8 C     0.312069530     0.602994760     0.589709690 
C9 C     0.229725140     0.648997290     0.553409780 
C10 C     0.329952290     0.688689250     0.504522520 
C11 C     0.248010320     0.734695410     0.466941830 
C12 C     0.348713740     0.774178810     0.416218630 
C13 C     0.266886040     0.820145600     0.378074660 
C14 C     0.369818490     0.859064820     0.326975000 
C15 C     0.309318310     0.944179510     0.500440920 
C16 C     0.215625890     1.029153390     0.606113840 
C17 C     0.105860450     1.059875740     0.528155000 
C18 C     0.090633140     1.106599710     0.678214930 
C19 C     0.185099910     1.124088890     0.912091870 
C20 C     0.294277300     1.093753760     0.991177380 
C21 C     0.309831260     1.046629470     0.839836560 
C22 C     0.267933490     1.191912940     1.248044930 
N1 N     0.294835140     0.903170790     0.288472230 
N2 N     0.223804800     0.982166780     0.441012310 
O1 O     0.391587670     0.946239040     0.716482630 
O2 O     0.161531300     1.170676890     1.046525310 
H1 H     0.224188650     0.273071980     0.906932240 
H2 H     0.092011850     0.315865350     1.093073080 
H3 H     0.091359130     0.296774420     0.685835030 
H4 H     0.333796830     0.333477670     0.629647870 
H5 H     0.334160480     0.352509520     1.033871570 
H6 H     0.107311090     0.383990740     0.604327650 
H7 H     0.107675460     0.403024790     1.008780910 
H8 H     0.350095210     0.419396000     0.548050780 
H9 H     0.350395900     0.438451590     0.952475920 
H10 H     0.123581610     0.470003340     0.522536980 
H11 H     0.123992080     0.489086730     0.926936980 
H12 H     0.366567450     0.505235960     0.466066750 
H13 H     0.366867540     0.524362470     0.870403040 
H14 H     0.140288010     0.555944640     0.440083130 
H15 H     0.140829760     0.575134430     0.844381400 
H16 H     0.383620490     0.590937190     0.383006050 
H17 H     0.383947430     0.610210530     0.787199770 
H18 H     0.157655120     0.641775720     0.356228590 
H19 H     0.158434110     0.661163140     0.760329020 
H20 H     0.401440300     0.676435950     0.297959470 
H21 H     0.401835000     0.695965680     0.701937870 
H22 H     0.175774120     0.727418760     0.270098660 
H23 H     0.177033560     0.747145410     0.673858230 
H24 H     0.420003380     0.761627670     0.209612560 
H25 H     0.420647340     0.781530710     0.613419630 
H26 H     0.194548100     0.813211720     0.181325990 
H27 H     0.197857790     0.833454550     0.585972910 
H28 H     0.441081930     0.847040350     0.120737280 
H29 H     0.438783160     0.867239650     0.526930750 
H30 H     0.225073490     0.902398860     0.114512350 
H31 H     0.159860850     0.976307230     0.255826760 
H32 H     0.031383600     1.046930620     0.347132860 
H33 H     0.005988780     1.130314450     0.617862580 
H34 H     0.369179700     1.106112270     1.171090710 
H35 H     0.394404270     1.023302630     0.902000800 
H36 H     0.228964700     1.228510970     1.327533610 
H37 H     0.280024400     1.174227560     1.449767740 
H38 H     0.374014700     1.191482850     1.126031890 

#END
data_-151.005_g26a_fchk_5_8055_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,-z
_cell_length_a 67.9575
_cell_length_b 4.5377
_cell_length_c 7.6604
_cell_angle_alpha 90.0
_cell_angle_beta 107.3121
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.368311310     0.455457320     0.582853280 
C2 C     0.349059040     0.262623730     0.516381640 
C3 C     0.328973590     0.438746230     0.473690670 
C4 C     0.309620870     0.247870280     0.407081430 
C5 C     0.289538640     0.423840110     0.364496380 
C6 C     0.270206320     0.232466960     0.298086000 
C7 C     0.250100500     0.407832300     0.255619350 
C8 C     0.230800260     0.215724250     0.189634460 
C9 C     0.210661520     0.390244450     0.147448660 
C10 C     0.191403840     0.197132390     0.082201440 
C11 C     0.171232580     0.370721290     0.040536960 
C12 C     0.152022500     0.176410920    -0.023580770 
C13 C     0.131855370     0.349703170    -0.064933290 
C14 C     0.112863990     0.150735890    -0.128404490 
C15 C     0.087047660     0.490862780    -0.318243920 
C16 C     0.057965610     0.834958040    -0.467767620 
C17 C     0.039080040     0.943421770    -0.455720270 
C18 C     0.027318900     1.134883330    -0.585919220 
C19 C     0.034129240     1.224295260    -0.732740140 
C20 C     0.052894090     1.117832630    -0.745464050 
C21 C     0.064764050     0.924522960    -0.614317360 
C22 C     0.027560850     1.504263200    -1.007539120 
N1 N     0.093441520     0.309770560    -0.167938020 
N2 N     0.068931850     0.640067420    -0.329741620 
O1 O     0.096544230     0.512094410    -0.430204070 
O2 O     0.021450990     1.413493120    -0.854326570 
H1 H     0.382413570     0.324214930     0.612554130 
H2 H     0.368871470     0.619665460     0.479809500 
H3 H     0.368503500     0.574216380     0.707686890 
H4 H     0.349144350     0.095574270     0.620025830 
H5 H     0.349476200     0.141279020     0.393758410 
H6 H     0.328538250     0.560306000     0.596341950 
H7 H     0.328874040     0.606033120     0.369960440 
H8 H     0.309740890     0.080574160     0.510836430 
H9 H     0.310067230     0.126432030     0.284445990 
H10 H     0.289089730     0.545370250     0.487092680 
H11 H     0.289402430     0.591014780     0.260643550 
H12 H     0.270361850     0.065164490     0.401927110 
H13 H     0.270655330     0.111035840     0.175459920 
H14 H     0.249654320     0.529476180     0.378187160 
H15 H     0.249917240     0.574880240     0.151578950 
H16 H     0.231015240     0.048445280     0.293642220 
H17 H     0.231241330     0.094292700     0.066990140 
H18 H     0.210231290     0.512088930     0.269996240 
H19 H     0.210401600     0.557058700     0.043098280 
H20 H     0.191707830     0.029934560     0.186485320 
H21 H     0.191816770     0.075701880    -0.040510280 
H22 H     0.170835080     0.492915060     0.163051240 
H23 H     0.170845740     0.536993040    -0.064359450 
H24 H     0.152457370     0.009515500     0.081268990 
H25 H     0.152397440     0.054879860    -0.146327860 
H26 H     0.131311130     0.472212310     0.056979980 
H27 H     0.131097360     0.512441490    -0.172173180 
H28 H     0.113077010    -0.015912230    -0.024613670 
H29 H     0.112964630     0.035656020    -0.253215250 
H30 H     0.085412220     0.298957540    -0.076944640 
H31 H     0.062436720     0.605537880    -0.229190900 
H32 H     0.033536170     0.876553400    -0.342598550 
H33 H     0.012737290     1.218392500    -0.576679190 
H34 H     0.058626410     1.182592640    -0.857206140 
H35 H     0.079273150     0.842943950    -0.624725440 
H36 H     0.015462870     1.650846140    -1.085967370 
H37 H     0.042230730     1.623991410    -0.965775040 
H38 H     0.028940740     1.316321800    -1.093032590 

#END
data_-150.980_g26a_fchk_14_10317_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.2677
_cell_length_b 9.3001
_cell_length_c 59.5339
_cell_angle_alpha 90.0
_cell_angle_beta 110.8739
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.648889530     0.659410570     0.425191180 
C2 C     0.655278910     0.748832500     0.403791440 
C3 C     0.634009700     0.657266160     0.381930080 
C4 C     0.640212660     0.745702600     0.360422340 
C5 C     0.619159750     0.654195680     0.338569460 
C6 C     0.625744050     0.742854290     0.317091980 
C7 C     0.605152900     0.651603340     0.295223160 
C8 C     0.612540060     0.740571860     0.273798560 
C9 C     0.592811850     0.649661490     0.251913000 
C10 C     0.601597420     0.739028980     0.230566800 
C11 C     0.583202270     0.648464580     0.208676510 
C12 C     0.594142350     0.738268630     0.187432690 
C13 C     0.576378190     0.647802250     0.165561860 
C14 C     0.588461390     0.739888920     0.144570540 
C15 C     0.678924410     0.714497490     0.106182960 
C16 C     0.715098000     0.649047910     0.066246860 
C17 C     0.687797350     0.532701940     0.050659840 
C18 C     0.769148760     0.547435710     0.030265060 
C19 C     0.880545540     0.679639760     0.024803670 
C20 C     0.907784300     0.795791410     0.040184780 
C21 C     0.826071760     0.781048700     0.060771680 
C22 C     1.037537300     0.818658620    -0.003153250 
N1 N     0.573535380     0.656485890     0.123537870 
N2 N     0.628320410     0.624620850     0.086660550 
O1 O     0.807637660     0.833378120     0.108284070 
O2 O     0.955045190     0.683605500     0.004298320 
H1 H     0.664880890     0.727376940     0.440543480 
H2 H     0.417529670     0.596588830     0.420486040 
H3 H     0.859101250     0.583830880     0.431058930 
H4 H     0.885280350     0.813361950     0.409156440 
H5 H     0.446868980     0.825730640     0.398624540 
H6 H     0.842514840     0.580248430     0.387080240 
H7 H     0.403864530     0.592626230     0.376546680 
H8 H     0.870308840     0.810357050     0.365826750 
H9 H     0.431659610     0.822667150     0.355283340 
H10 H     0.827632020     0.577191250     0.343703910 
H11 H     0.388981360     0.589603220     0.333144960 
H12 H     0.855834680     0.807522820     0.322534900 
H13 H     0.417194610     0.819815800     0.311955970 
H14 H     0.813534650     0.574550540     0.300358670 
H15 H     0.374871140     0.587068060     0.289744440 
H16 H     0.842656680     0.805244230     0.279306940 
H17 H     0.403994180     0.817530960     0.268653990 
H18 H     0.801037650     0.572526350     0.257062570 
H19 H     0.362359190     0.585233070     0.246345760 
H20 H     0.831793630     0.803681050     0.236174380 
H21 H     0.393058300     0.815978710     0.225391790 
H22 H     0.791136400     0.571189140     0.213855470 
H23 H     0.352436790     0.584292590     0.202961550 
H24 H     0.824719720     0.802779020     0.193193300 
H25 H     0.385738670     0.815246210     0.182219410 
H26 H     0.783812480     0.570366940     0.170569420 
H27 H     0.343692020     0.585425750     0.159383450 
H28 H     0.818046750     0.804290220     0.150065370 
H29 H     0.376131350     0.813899540     0.138979710 
H30 H     0.465212900     0.558813280     0.121207870 
H31 H     0.519390220     0.528759630     0.086861290 
H32 H     0.601575900     0.429151180     0.054596990 
H33 H     0.748311060     0.457610290     0.018247610 
H34 H     0.992988170     0.899590570     0.036495010 
H35 H     0.847387390     0.871244610     0.072603080 
H36 H     1.088776130     0.798022200    -0.019515510 
H37 H     0.829155980     0.895002440    -0.007072190 
H38 H     1.261030230     0.865204730     0.010432660 

#END
data_-150.811_g26a_fchk_14_4439_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.2887
_cell_length_b 9.3391
_cell_length_c 56.6666
_cell_angle_alpha 90.0
_cell_angle_beta 76.6834
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.697038010     0.673247690     0.925492450 
C2 C     0.644941940     0.762739210     0.904117500 
C3 C     0.625083750     0.672184170     0.881995450 
C4 C     0.572986500     0.760697910     0.860510380 
C5 C     0.553316920     0.670214660     0.838386910 
C6 C     0.501535530     0.758969970     0.816916060 
C7 C     0.482180660     0.668768800     0.794755930 
C8 C     0.431099930     0.757877640     0.773302470 
C9 C     0.412395150     0.668067240     0.751085920 
C10 C     0.362561210     0.757653810     0.729647540 
C11 C     0.344947270     0.668268570     0.707363810 
C12 C     0.297066010     0.758416480     0.685928160 
C13 C     0.280019120     0.669166740     0.663634230 
C14 C     0.232788400     0.761624150     0.642421060 
C15 C     0.061105160     0.732783910     0.604138760 
C16 C    -0.082075090     0.659588870     0.565307670 
C17 C    -0.096715830     0.541181100     0.550363430 
C18 C    -0.222445080     0.553548750     0.530057460 
C19 C    -0.338140490     0.685317530     0.524063580 
C20 C    -0.324874200     0.803392950     0.538847720 
C21 C    -0.197885030     0.791094360     0.559323200 
C22 C    -0.555905770     0.820496540     0.495969820 
N1 N     0.217198650     0.679474260     0.620908030 
N2 N     0.050673150     0.637764470     0.585579110 
O1 O    -0.052366440     0.853257510     0.605671940 
O2 O    -0.457469190     0.686938120     0.503675240 
H1 H     0.710766920     0.740516470     0.941009080 
H2 H     0.501050950     0.596972830     0.931479120 
H3 H     0.919751930     0.611771750     0.920483150 
H4 H     0.840053650     0.840580630     0.898887260 
H5 H     0.424397150     0.825595630     0.909766420 
H6 H     0.845730210     0.609216680     0.876323670 
H7 H     0.429851980     0.594225690     0.887212950 
H8 H     0.768197960     0.838666650     0.855316900 
H9 H     0.352328920     0.823609460     0.866195440 
H10 H     0.773907870     0.607258940     0.832700830 
H11 H     0.357983660     0.592302730     0.843564470 
H12 H     0.696790090     0.836950470     0.811762310 
H13 H     0.280886270     0.821878610     0.822603960 
H14 H     0.702706500     0.605759650     0.789074930 
H15 H     0.286661270     0.590909180     0.799883660 
H16 H     0.626466340     0.835860550     0.768214390 
H17 H     0.210442960     0.820784530     0.778981430 
H18 H     0.632825260     0.604966480     0.745426210 
H19 H     0.216565660     0.590306190     0.756132580 
H20 H     0.558141880     0.835617170     0.724656720 
H21 H     0.141871730     0.820553290     0.735294970 
H22 H     0.565198140     0.605009840     0.701747180 
H23 H     0.148550190     0.590747250     0.712277170 
H24 H     0.493246710     0.836257270     0.681073740 
H25 H     0.076438030     0.821353690     0.691530090 
H26 H     0.499633830     0.605726840     0.657865540 
H27 H     0.080673020     0.593314600     0.668184520 
H28 H     0.427741610     0.839307100     0.637342780 
H29 H     0.009035720     0.821407790     0.647803210 
H30 H     0.305536870     0.579229980     0.619310240 
H31 H     0.152258120     0.540978970     0.586193710 
H32 H    -0.008115890     0.437904050     0.554730660 
H33 H    -0.233503930     0.462186000     0.518516060 
H34 H    -0.412388220     0.906889640     0.534747170 
H35 H    -0.188340460     0.882730630     0.570707300 
H36 H    -0.640386390     0.798289840     0.479637090 
H37 H    -0.751440270     0.867549300     0.509706940 
H38 H    -0.356383460     0.896669600     0.491673910 

#END
data_-150.769_g26a_fchk_2_8949_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.8484
_cell_length_b 34.2206
_cell_length_c 19.5851
_cell_angle_alpha 52.195
_cell_angle_beta 150.6085
_cell_angle_gamma 110.4541
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.837031520     0.291312550     0.173174500 
C2 C     1.029939220     0.238370660     0.228578470 
C3 C     0.628708940     0.209156840     0.188610300 
C4 C     0.817890180     0.156143140     0.243535190 
C5 C     0.417146100     0.126908240     0.203705280 
C6 C     0.607611450     0.073873890     0.258917660 
C7 C     0.208159140     0.044512730     0.219459720 
C8 C     0.400795360    -0.008568260     0.275213080 
C9 C     0.003387620    -0.038124150     0.236381460 
C10 C     0.199312840    -0.091296990     0.293022000 
C11 C    -0.195402400    -0.121091820     0.255065620 
C12 C     0.004962750    -0.174421890     0.313003990 
C13 C    -0.388588670    -0.204279890     0.275420340 
C14 C    -0.178704200    -0.257540560     0.334850320 
C15 C    -0.301485050    -0.333514520     0.445204110 
C16 C    -0.592833670    -0.405695100     0.503324050 
C17 C    -1.117770820    -0.415279110     0.409616970 
C18 C    -1.064255630    -0.460412110     0.507591970 
C19 C    -0.481192170    -0.497533500     0.703205440 
C20 C     0.042772740    -0.488335530     0.797307510 
C21 C    -0.010675020    -0.442804020     0.698650020 
C22 C     0.113804220    -0.580917810     0.986187310 
N1 N    -0.543421310    -0.286973060     0.301473550 
N2 N    -0.689339700    -0.358636760     0.392785170 
O1 O     0.204207780    -0.349982530     0.602330350 
O2 O    -0.475493310    -0.540794900     0.787448750 
H1 H     1.131395550     0.311259030     0.203444820 
H2 H     0.337746660     0.322301250     0.023150330 
H3 H     0.888406130     0.281429550     0.249413840 
H4 H     1.535608700     0.208669810     0.378260130 
H5 H     0.987824530     0.249215290     0.153502590 
H6 H     0.670501480     0.198279590     0.263693580 
H7 H     0.122443380     0.238854880     0.038812310 
H8 H     1.324229090     0.126491490     0.393301410 
H9 H     0.775921820     0.167055120     0.168396070 
H10 H     0.458872540     0.116003480     0.278785650 
H11 H    -0.089188310     0.156525300     0.053933750 
H12 H     1.114150100     0.044296650     0.408665450 
H13 H     0.565650860     0.084791550     0.183777440 
H14 H     0.249629180     0.033628480     0.294469140 
H15 H    -0.298356350     0.074032050     0.069688590 
H16 H     0.907655340    -0.038021740     0.424939640 
H17 H     0.358795400     0.002332440     0.200078530 
H18 H     0.044470810    -0.048949290     0.311262200 
H19 H    -0.503384530    -0.008765580     0.086615840 
H20 H     0.706628900    -0.120565700     0.442726420 
H21 H     0.157163340    -0.080455690     0.217904100 
H22 H    -0.154987310    -0.131801910     0.329710040 
H23 H    -0.702396170    -0.092006590     0.105329210 
H24 H     0.512961160    -0.203429780     0.462764240 
H25 H    -0.037095850    -0.163677860     0.237993080 
H26 H    -0.350010070    -0.215235280     0.349820840 
H27 H    -0.894381970    -0.176031380     0.125711430 
H28 H     0.326606690    -0.286913760     0.484177380 
H29 H    -0.236358410    -0.246635030     0.256613490 
H30 H    -0.958425240    -0.274706080     0.173854150 
H31 H    -1.096494940    -0.341387310     0.259033200 
H32 H    -1.574659070    -0.386908210     0.257677000 
H33 H    -1.469530130    -0.467778370     0.435246460 
H34 H     0.500910300    -0.516240980     0.948550910 
H35 H     0.396140330    -0.435893770     0.772106930 
H36 H     0.013572520    -0.611092430     1.023785960 
H37 H     0.473644080    -0.602846330     1.047727940 
H38 H     0.299755820    -0.561378600     1.041620970 

#END
data_-150.726_g26a_fchk_2_409_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 16.5047
_cell_length_b 4.6011
_cell_length_c 29.4675
_cell_angle_alpha 67.4573
_cell_angle_beta 110.2009
_cell_angle_gamma 146.7179
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.161281600     0.104537780     0.745804230 
C2 C     0.082744760    -0.222041000     0.706241290 
C3 C     0.025194380    -0.109978860     0.661413360 
C4 C    -0.053560560    -0.434704630     0.621616080 
C5 C    -0.111186590    -0.323026110     0.576809650 
C6 C    -0.190030510    -0.648604840     0.537082580 
C7 C    -0.247937610    -0.538221620     0.492258670 
C8 C    -0.326996370    -0.865304770     0.452654930 
C9 C    -0.385378180    -0.756963050     0.407820730 
C10 C    -0.464848890    -1.086428800     0.368402220 
C11 C    -0.523884510    -0.980722440     0.323589340 
C12 C    -0.604041430    -1.313564620     0.284416480 
C13 C    -0.663311220    -1.208839000     0.239654470 
C14 C    -0.743286000    -1.546941430     0.201041230 
C15 C    -0.744578500    -1.218298130     0.112738420 
C16 C    -0.775323630    -0.909916770     0.026207770 
C17 C    -0.852946120    -0.866440780    -0.003550470 
C18 C    -0.830212390    -0.655496530    -0.053327360 
C19 C    -0.728582780    -0.480388020    -0.074948880 
C20 C    -0.650866920    -0.521491910    -0.045601090 
C21 C    -0.673776420    -0.734576700     0.004602140 
C22 C    -0.628223690    -0.167828150    -0.149035220 
N1 N    -0.801479130    -1.457213750     0.158109290 
N2 N    -0.805550960    -1.131236750     0.076503070 
O1 O    -0.650593200    -1.103086170     0.105779720 
O2 O    -0.713859730    -0.278582100    -0.124325430 
H1 H     0.201010920     0.016228440     0.777381940 
H2 H     0.256620180     0.537468050     0.731302260 
H3 H     0.087004290     0.015434030     0.759226030 
H4 H    -0.009870460    -0.653242710     0.722039010 
H5 H     0.158432720    -0.134473440     0.694241280 
H6 H    -0.050586870    -0.197504260     0.673379900 
H7 H     0.117821440     0.321565120     0.645575010 
H8 H    -0.146096080    -0.866096880     0.637494730 
H9 H     0.022282730    -0.346932830     0.609669260 
H10 H    -0.187005190    -0.410622810     0.588745410 
H11 H    -0.018682590     0.108230150     0.560891870 
H12 H    -0.282436850    -1.079807350     0.553036280 
H13 H    -0.114178850    -0.560814650     0.525141580 
H14 H    -0.323708050    -0.625579880     0.504193870 
H15 H    -0.155567990    -0.107250730     0.476234930 
H16 H    -0.419198400    -1.296188720     0.468736420 
H17 H    -0.251174550    -0.777561560     0.440697290 
H18 H    -0.461025240    -0.843844970     0.419778790 
H19 H    -0.293227610    -0.326485020     0.391624310 
H20 H    -0.556758680    -1.516827480     0.384677440 
H21 H    -0.389130450    -0.998842890     0.356385300 
H22 H    -0.599291260    -1.066726700     0.335596450 
H23 H    -0.432090950    -0.551202960     0.307105850 
H24 H    -0.695614570    -1.743325190     0.300992720 
H25 H    -0.528514050    -1.226439670     0.272328120 
H26 H    -0.739044110    -1.294747930     0.251316340 
H27 H    -0.572253800    -0.783237920     0.222275480 
H28 H    -0.835271450    -1.976564150     0.217081340 
H29 H    -0.667024100    -1.449886570     0.188087290 
H30 H    -0.877806840    -1.542722050     0.162863450 
H31 H    -0.882375570    -1.242380250     0.086520520 
H32 H    -0.932323940    -1.000167560     0.012586450 
H33 H    -0.890205960    -0.622349920    -0.076294990 
H34 H    -0.571385600    -0.389642500    -0.061126050 
H35 H    -0.613319990    -0.765207500     0.027147080 
H36 H    -0.631214030    -0.015075880    -0.187412640 
H37 H    -0.513290040     0.138204260    -0.134413520 
H38 H    -0.674734310    -0.532591690    -0.146531040 

#END
data_-150.680_g26a_fchk_2_10619_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 8.3549
_cell_length_b 23.1941
_cell_length_c 9.0731
_cell_angle_alpha 77.7573
_cell_angle_beta 46.4603
_cell_angle_gamma 99.5359
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.086729960     0.234521660     0.521626860 
C2 C     0.004817480     0.279721410     0.463916740 
C3 C    -0.096124700     0.316623600     0.607727010 
C4 C    -0.178585980     0.361978680     0.551318210 
C5 C    -0.279645610     0.398847220     0.695145670 
C6 C    -0.362220340     0.444122140     0.638596150 
C7 C    -0.463655940     0.480990930     0.782379060 
C8 C    -0.546551750     0.526106910     0.725742740 
C9 C    -0.648660710     0.562942700     0.869577910 
C10 C    -0.732206980     0.607798120     0.812985600 
C11 C    -0.835299700     0.644531600     0.957070210 
C12 C    -0.919968720     0.689008260     0.900795070 
C13 C    -1.023443740     0.725648460     1.045029880 
C14 C    -1.107384100     0.769689520     0.986081870 
C15 C    -1.055558130     0.858577740     1.077717410 
C16 C    -1.081732570     0.939180890     1.231417130 
C17 C    -1.246633410     0.959525720     1.390472400 
C18 C    -1.164412300     1.013475330     1.401715290 
C19 C    -0.913594990     1.048852200     1.253641610 
C20 C    -0.748684450     1.028867960     1.095400470 
C21 C    -0.831346600     0.974493930     1.083753800 
C22 C    -0.596585610     1.140696440     1.122643010 
N1 N    -1.207806140     0.804945990     1.121586250 
N2 N    -1.180839950     0.883882910     1.230915500 
O1 O    -0.831827760     0.881343280     0.916628580 
O2 O    -0.850186890     1.101381100     1.277591950 
H1 H     0.157575830     0.208742470     0.416816710 
H2 H     0.232097260     0.262408520     0.493222140 
H3 H    -0.066395750     0.197460510     0.700953760 
H4 H    -0.136172680     0.250852060     0.488256240 
H5 H     0.159965310     0.315380310     0.282436390 
H6 H    -0.251447030     0.280978490     0.789430250 
H7 H     0.044871210     0.345534450     0.583486830 
H8 H    -0.319446500     0.333034480     0.575473270 
H9 H    -0.023187660     0.397604260     0.369631110 
H10 H    -0.435009940     0.363235600     0.876850120 
H11 H    -0.138798070     0.427841250     0.670919460 
H12 H    -0.502900930     0.415107560     0.662651040 
H13 H    -0.206812070     0.479741570     0.456908130 
H14 H    -0.618955450     0.445383230     0.964094450 
H15 H    -0.322959030     0.510100330     0.758148760 
H16 H    -0.686958180     0.496967780     0.749668330 
H17 H    -0.391185130     0.561741810     0.544077270 
H18 H    -0.803793510     0.527319000     1.051285300 
H19 H    -0.508205080     0.592241520     0.845323880 
H20 H    -0.872234860     0.578464510     0.836765720 
H21 H    -0.576984140     0.643488550     0.631398410 
H22 H    -0.990103840     0.608873110     1.138739870 
H23 H    -0.695208840     0.674154530     0.932670850 
H24 H    -1.059636780     0.659341350     0.924606920 
H25 H    -0.765016820     0.724758350     0.719321180 
H26 H    -1.178661870     0.690349580     1.227005180 
H27 H    -0.883556560     0.756447880     1.018545780 
H28 H    -1.247496030     0.740611190     1.010097940 
H29 H    -0.951703830     0.806343160     0.806998380 
H30 H    -1.391622580     0.786849000     1.256989920 
H31 H    -1.365956280     0.860992270     1.357591610 
H32 H    -1.442205820     0.932646160     1.507002170 
H33 H    -1.291673790     1.029200010     1.524354250 
H34 H    -0.553454050     1.055097270     0.978382870 
H35 H    -0.703052910     0.959214480     0.961137020 
H36 H    -0.586685940     1.179335810     1.170242040 
H37 H    -0.511060910     1.112277590     1.136040230 
H38 H    -0.497059810     1.162940230     0.945749610 

#END
data_-150.603_g26a_fchk_4_2325_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 23.0731
_cell_length_b 4.1349
_cell_length_c 11.7037
_cell_angle_alpha 90.0
_cell_angle_beta 100.4305
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.363050270     0.059653200     0.232677550 
C2 C     0.345545650     0.127634810     0.350349650 
C3 C     0.280045950     0.206905740     0.340897060 
C4 C     0.262078930     0.275307310     0.458144570 
C5 C     0.196610180     0.354755220     0.448722390 
C6 C     0.178757580     0.423386900     0.566066810 
C7 C     0.113323660     0.503313160     0.556887080 
C8 C     0.095650040     0.572502980     0.674352490 
C9 C     0.030270160     0.653303100     0.665495890 
C10 C     0.012845490     0.723545730     0.783108170 
C11 C    -0.052457600     0.805654340     0.774570380 
C12 C    -0.069580360     0.877625380     0.892331080 
C13 C    -0.134822860     0.960285800     0.883842690 
C14 C    -0.150872560     1.032002810     1.002615100 
C15 C    -0.245386270     0.963695570     1.069145290 
C16 C    -0.349044850     0.952802120     1.107307000 
C17 C    -0.406862130     1.050163050     1.061752660 
C18 C    -0.453401100     0.963398780     1.115080230 
C19 C    -0.443487480     0.775508670     1.216015920 
C20 C    -0.386173500     0.677414720     1.261682860 
C21 C    -0.339186380     0.764975000     1.208035480 
C22 C    -0.483395380     0.541796030     1.371185700 
N1 N    -0.212683880     1.112949420     0.997078670 
N2 N    -0.304209500     1.052726050     1.047815920 
O1 O    -0.223600450     0.774468370     1.144964260 
O2 O    -0.492183050     0.702332800     1.262389770 
H1 H     0.409999880     0.004297360     0.241936370 
H2 H     0.338460880    -0.146162820     0.189504950 
H3 H     0.353828030     0.268428320     0.174769100 
H4 H     0.371843260     0.329233480     0.392970570 
H5 H     0.356442250    -0.082198380     0.407480450 
H6 H     0.269085900     0.416924010     0.283729690 
H7 H     0.253684910     0.005252110     0.298238710 
H8 H     0.288483990     0.476829090     0.500757110 
H9 H     0.273046550     0.065209360     0.515243840 
H10 H     0.185623790     0.564795880     0.391602840 
H11 H     0.170183280     0.153211620     0.406200660 
H12 H     0.205239750     0.624755870     0.608590670 
H13 H     0.189730100     0.213282070     0.623156470 
H14 H     0.102326960     0.713267420     0.499726540 
H15 H     0.086808600     0.301854990     0.514538940 
H16 H     0.122257960     0.773652520     0.716713160 
H17 H     0.106605590     0.362434350     0.731462490 
H18 H     0.019279310     0.863062480     0.608234220 
H19 H     0.003614770     0.451979300     0.623440440 
H20 H     0.039637010     0.924409430     0.825205200 
H21 H     0.023740510     0.513600020     0.840289660 
H22 H    -0.063428030     1.015034740     0.717121260 
H23 H    -0.079326780     0.604510340     0.733056960 
H24 H    -0.042535240     1.078335300     0.933956350 
H25 H    -0.058751500     0.667955670     0.949636310 
H26 H    -0.146160170     1.169830440     0.826694940 
H27 H    -0.162101100     0.758538130     0.844679790 
H28 H    -0.124359420     1.232716580     1.044794700 
H29 H    -0.141524470     0.820352590     1.058614080 
H30 H    -0.231951670     1.265393620     0.934572320 
H31 H    -0.317298780     1.210961720     0.982804550 
H32 H    -0.415440800     1.196126190     0.983370870 
H33 H    -0.498011480     1.038759440     1.079964260 
H34 H    -0.376942290     0.531803510     1.339607110 
H35 H    -0.294941710     0.688321420     1.243668040 
H36 H    -0.527069350     0.508227590     1.392239760 
H37 H    -0.462507930     0.305168100     1.366679140 
H38 H    -0.456506500     0.686975810     1.439292290 

#END
data_-150.550_g26a_fchk_15_19909_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 16.1285
_cell_length_b 4.5134
_cell_length_c 76.3235
_cell_angle_alpha 90.0
_cell_angle_beta 54.0474
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.277631800     1.077677070     0.631553700 
C2 C     0.206033310     0.882596120     0.651329300 
C3 C     0.138980030     1.059807920     0.672331090 
C4 C     0.067067930     0.866699830     0.692212770 
C5 C     0.000068140     1.043764330     0.713213030 
C6 C    -0.071707640     0.850166050     0.733076290 
C7 C    -0.138707900     1.026633910     0.754104480 
C8 C    -0.210222440     0.832318920     0.773940760 
C9 C    -0.277174800     1.007959760     0.795010040 
C10 C    -0.348269890     0.812675450     0.814813700 
C11 C    -0.415071720     0.987417490     0.835927980 
C12 C    -0.485569200     0.790992170     0.855700640 
C13 C    -0.552227620     0.965454830     0.876816140 
C14 C    -0.621893100     0.764359010     0.896364200 
C15 C    -0.767094430     1.093064060     0.921080900 
C16 C    -0.902806540     1.430414190     0.950004550 
C17 C    -0.937211340     1.566815240     0.969707160 
C18 C    -1.022031230     1.750537860     0.980169010 
C19 C    -1.075221240     1.803865780     0.971191620 
C20 C    -1.041392260     1.669505420     0.951601800 
C21 C    -0.955901460     1.483960080     0.941041360 
C22 C    -1.215692380     2.041897840     0.974461920 
N1 N    -0.685894000     0.924501730     0.916707610 
N2 N    -0.816044780     1.245777870     0.940475350 
O1 O    -0.792942820     1.101332680     0.908921500 
O2 O    -1.158011910     1.988147500     0.982717260 
H1 H     0.324667350     0.945617070     0.616805370 
H2 H     0.234192730     1.236212490     0.629038130 
H3 H     0.329336490     1.204686900     0.633562030 
H4 H     0.251277130     0.721150000     0.653155220 
H5 H     0.156720890     0.753037210     0.648699550 
H6 H     0.188259180     1.189587250     0.674981060 
H7 H     0.093664190     1.221489310     0.670519030 
H8 H     0.112442630     0.705007740     0.694003060 
H9 H     0.017820330     0.737041980     0.689551100 
H10 H     0.049292420     1.173512460     0.715876750 
H11 H    -0.045384740     1.205330670     0.711438620 
H12 H    -0.026212820     0.688467780     0.734829540 
H13 H    -0.120945140     0.720515550     0.730411900 
H14 H    -0.089490140     1.156494140     0.756764680 
H15 H    -0.184349520     1.188068110     0.752377840 
H16 H    -0.164517330     0.670646000     0.775632410 
H17 H    -0.259486360     0.702668020     0.771284680 
H18 H    -0.227929730     1.138017990     0.797652490 
H19 H    -0.323125550     1.169151030     0.793361190 
H20 H    -0.302239220     0.651088320     0.816413590 
H21 H    -0.397628590     0.683025480     0.812186960 
H22 H    -0.365766470     1.117819900     0.838534170 
H23 H    -0.461546490     1.148048250     0.834407320 
H24 H    -0.438994530     0.629724990     0.857168440 
H25 H    -0.535031630     0.661244470     0.853114560 
H26 H    -0.503524430     1.096158100     0.879570840 
H27 H    -0.600529960     1.122444070     0.875657520 
H28 H    -0.576289560     0.603306810     0.898053890 
H29 H    -0.672930290     0.641005000     0.894037040 
H30 H    -0.665701400     0.924318170     0.926924750 
H31 H    -0.787901830     1.222375440     0.949196530 
H32 H    -0.896859490     1.528152660     0.976930270 
H33 H    -1.048619570     1.855606920     0.995382160 
H34 H    -1.080714940     1.706053920     0.944200120 
H35 H    -0.930010250     1.380705810     0.925885760 
H36 H    -1.277350710     2.190785030     0.985948210 
H37 H    -1.169125440     2.148254730     0.958522860 
H38 H    -1.248530180     1.836791250     0.973281950 

#END
data_-150.499_g26a_fchk_2_12735_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.7629
_cell_length_b 10.0529
_cell_length_c 27.3845
_cell_angle_alpha 68.0065
_cell_angle_beta 110.6565
_cell_angle_gamma 106.6918
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.611193730     0.178926880     0.024517410 
C2 C     0.899739950     0.258342880     0.056573840 
C3 C     0.845217100     0.388853200     0.065803930 
C4 C     1.132475870     0.469057830     0.097837460 
C5 C     1.078096620     0.599586600     0.107043700 
C6 C     1.365739880     0.679709490     0.139038200 
C7 C     1.312098190     0.810404580     0.148243780 
C8 C     1.600319660     0.890460710     0.180143070 
C9 C     1.547727580     1.021446780     0.189315280 
C10 C     1.836772340     1.101500440     0.221040810 
C11 C     1.785348960     1.232889890     0.230115680 
C12 C     2.075436070     1.313089420     0.261564550 
C13 C     2.024321930     1.444583520     0.270563720 
C14 C     2.317645480     1.523207860     0.301982280 
C15 C     2.142112520     1.632123100     0.350448200 
C16 C     1.980349790     1.783695960     0.387301050 
C17 C     1.953808560     1.926612610     0.378851650 
C18 C     1.837824250     1.957220170     0.412439450 
C19 C     1.744185130     1.845270160     0.455676510 
C20 C     1.769397580     1.702961700     0.464270830 
C21 C     1.886570020     1.671955010     0.430451420 
C22 C     1.567808440     1.779265350     0.534447420 
N1 N     2.275963330     1.649287140     0.310915060 
N2 N     2.101877960     1.762176170     0.351322950 
O1 O     2.070655020     1.512796250     0.381751600 
O2 O     1.633009760     1.886215310     0.486595870 
H1 H     0.656665370     0.086470290     0.018449630 
H2 H     0.434329410     0.137254840     0.046102890 
H3 H     0.517180580     0.252148720    -0.015921490 
H4 H     1.075541500     0.295680670     0.034784030 
H5 H     0.992926610     0.181878350     0.096353020 
H6 H     0.751939010     0.465475050     0.026011870 
H7 H     0.669260470     0.351589640     0.087610990 
H8 H     1.308322650     0.506194220     0.076018720 
H9 H     1.225574580     0.392380200     0.137616930 
H10 H     0.984919200     0.676269880     0.067271830 
H11 H     0.902446840     0.562499290     0.128899390 
H12 H     1.541393870     0.716648120     0.117186640 
H13 H     1.458817460     0.603019330     0.178814050 
H14 H     1.218791170     0.887064920     0.108474200 
H15 H     1.136820790     0.773529550     0.170169620 
H16 H     1.775621890     0.927082750     0.158228720 
H17 H     1.693442320     0.813815150     0.219926060 
H18 H     1.454130270     1.098006580     0.149538520 
H19 H     1.373082210     0.984913040     0.211357860 
H20 H     2.011508370     1.137666180     0.199022930 
H21 H     1.930051650     1.025011580     0.260849750 
H22 H     1.691216630     1.309241760     0.190324650 
H23 H     1.611892880     1.196890170     0.252367650 
H24 H     2.249191270     1.348682650     0.239341320 
H25 H     2.169033370     1.236831490     0.301397370 
H26 H     1.930670600     1.521653520     0.230964510 
H27 H     1.856079320     1.409588660     0.293724420 
H28 H     2.492322180     1.559789220     0.280101530 
H29 H     2.406396360     1.448340270     0.342178640 
H30 H     2.329637630     1.748851480     0.285321940 
H31 H     2.169366530     1.854196670     0.323453190 
H32 H     2.025257840     2.015035320     0.345456080 
H33 H     1.817571800     2.067533770     0.405939410 
H34 H     1.698980410     1.613756270     0.497320530 
H35 H     1.905432420     1.561684660     0.437252480 
H36 H     1.484437500     1.833837160     0.552835700 
H37 H     1.391525050     1.688007990     0.524646930 
H38 H     1.772505930     1.737282410     0.563643870 

#END
data_-150.354_g26a_fchk_19_636_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 4.6954
_cell_length_b 52.8298
_cell_length_c 8.9736
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.445510430     0.349897100     0.847854710 
C2 C     0.279823980     0.332031860     0.950242040 
C3 C     0.457246000     0.309512190     1.004110540 
C4 C     0.293446620     0.291523260     1.106616270 
C5 C     0.470692800     0.269000200     1.160417330 
C6 C     0.306365060     0.251023730     1.262787170 
C7 C     0.482999600     0.228465210     1.316605620 
C8 C     0.317852230     0.210499450     1.418677730 
C9 C     0.493597560     0.187882570     1.472438870 
C10 C     0.327284050     0.169917840     1.573996190 
C11 C     0.501987320     0.147225030     1.627536920 
C12 C     0.334208000     0.129238450     1.728309950 
C13 C     0.508537900     0.106528240     1.781648750 
C14 C     0.336172760     0.088786190     1.881954300 
C15 C     0.408585520     0.042755220     1.900317360 
C16 C     0.547291440    -0.002333540     1.951431750 
C17 C     0.739861710    -0.017453480     2.031228990 
C18 C     0.728936590    -0.043583670     2.022837400 
C19 C     0.523958250    -0.055442300     1.934054720 
C20 C     0.331604730    -0.040545270     1.854637020 
C21 C     0.342532470    -0.014187490     1.862906290 
C22 C     0.312728380    -0.094126460     1.853312300 
N1 N     0.496519100     0.066930260     1.933827310 
N2 N     0.573943830     0.024126510     1.965851060 
O1 O     0.205601330     0.038554930     1.818951030 
O2 O     0.530158200    -0.081315420     1.932833040 
H1 H     0.313821110     0.365766270     0.810911480 
H2 H     0.631922980     0.357714590     0.904778530 
H3 H     0.521356900     0.339965010     0.748465510 
H4 H     0.090613470     0.324983660     0.891877960 
H5 H     0.200941910     0.342563390     1.047100580 
H6 H     0.536321750     0.298954860     0.907248590 
H7 H     0.646705640     0.316548150     1.062542090 
H8 H     0.103973330     0.284510860     1.048127710 
H9 H     0.214482850     0.302092460     1.203434340 
H10 H     0.549755060     0.258430390     1.063623680 
H11 H     0.660077780     0.276000590     1.219017980 
H12 H     0.116864490     0.244048840     1.204168270 
H13 H     0.227405600     0.261595460     1.359592750 
H14 H     0.562178580     0.217900440     1.219816440 
H15 H     0.672314140     0.235422200     1.375443120 
H16 H     0.128331790     0.203585490     1.359821660 
H17 H     0.238896810     0.221062720     1.515511910 
H18 H     0.572974840     0.177338180     1.375614430 
H19 H     0.682772810     0.194769310     1.531667840 
H20 H     0.137769600     0.163092820     1.514762020 
H21 H     0.248346210     0.180451350     1.670933390 
H22 H     0.581709920     0.136722160     1.530639940 
H23 H     0.690793960     0.153998760     1.687451230 
H24 H     0.144828840     0.122531000     1.668390290 
H25 H     0.255180660     0.139727990     1.825356140 
H26 H     0.588720130     0.095887770     1.685437560 
H27 H     0.694639140     0.113038260     1.844271330 
H28 H     0.147315080     0.081883390     1.823198500 
H29 H     0.263846900     0.099062330     1.980417570 
H30 H     0.662850250     0.069820710     2.002440150 
H31 H     0.736324460     0.029826020     2.031117900 
H32 H     0.900567840    -0.008585320     2.100851230 
H33 H     0.877700030    -0.055249210     2.084336290 
H34 H     0.170249090    -0.049098390     1.784947520 
H35 H     0.193155150    -0.002750650     1.801326820 
H36 H     0.357386360    -0.114236840     1.865828390 
H37 H     0.101460070    -0.089989300     1.899220880 
H38 H     0.315420440    -0.089183450     1.734683840 

#END
data_-150.153_g26a_fchk_2_3708_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 15.0593
_cell_length_b 36.4393
_cell_length_c 4.1415
_cell_angle_alpha 91.752
_cell_angle_beta 62.5806
_cell_angle_gamma 139.0933
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.089687890     0.133487350     0.288155100 
C2 C    -0.001543820     0.141811520     0.534411140 
C3 C     0.135063540     0.214673630     0.388268600 
C4 C     0.045176510     0.223545380     0.632643180 
C5 C     0.181702650     0.296373450     0.486816800 
C6 C     0.091509610     0.305115080     0.731943660 
C7 C     0.227733660     0.377888240     0.587147190 
C8 C     0.137105580     0.386432040     0.833569010 
C9 C     0.272925450     0.459127010     0.690382830 
C10 C     0.181730290     0.467401520     0.938813570 
C11 C     0.317131460     0.540000080     0.797692650 
C12 C     0.225304900     0.547957100     1.048909640 
C13 C     0.360569050     0.620492830     0.908573560 
C14 C     0.265631890     0.627186440     1.164864170 
C15 C     0.376052920     0.723959600     0.911671800 
C16 C     0.534792400     0.833612990     0.637708740 
C17 C     0.698115460     0.901766990     0.459262480 
C18 C     0.730318260     0.947259330     0.316355420 
C19 C     0.599592510     0.925876440     0.347402170 
C20 C     0.437110880     0.858254290     0.523684280 
C21 C     0.404393470     0.812307840     0.668269640 
C22 C     0.508498860     0.954112780     0.259981770 
N1 N     0.391208160     0.695697730     1.039361030 
N2 N     0.512761380     0.790649490     0.776692960 
O1 O     0.251691230     0.692161820     0.923573280 
O2 O     0.643691920     0.974461940     0.198096400 
H1 H    -0.010843540     0.081036920     0.399255460 
H2 H     0.171319040     0.161503150    -0.060621760 
H3 H     0.180785120     0.151999180     0.332679420 
H4 H    -0.085987650     0.111944350     0.883434980 
H5 H    -0.094976950     0.121550340     0.492442510 
H6 H     0.228664480     0.235009560     0.430138590 
H7 H     0.219663250     0.244612330     0.038926520 
H8 H    -0.039462700     0.193561740     0.981906780 
H9 H    -0.048369020     0.203206850     0.590586270 
H10 H     0.275302110     0.316733500     0.528723670 
H11 H     0.266283050     0.326371520     0.137650460 
H12 H     0.006814540     0.275054650     1.081123660 
H13 H    -0.002035030     0.284772100     0.689876000 
H14 H     0.321392110     0.398262270     0.628861530 
H15 H     0.312294870     0.407965800     0.238141270 
H16 H     0.052341140     0.356248580     1.182602210 
H17 H     0.043572500     0.366105910     0.791523740 
H18 H     0.366672170     0.479501980     0.731733700 
H19 H     0.357438360     0.489329500     0.341663840 
H20 H     0.096893930     0.437041420     1.287612470 
H21 H     0.088239170     0.447135540     0.896840410 
H22 H     0.411022970     0.560366140     0.838382810 
H23 H     0.401465290     0.570383110     0.449582350 
H24 H     0.140498620     0.517366850     1.397386410 
H25 H     0.131817820     0.527754330     1.007235990 
H26 H     0.454826860     0.641228430     0.948906970 
H27 H     0.443086460     0.651079550     0.563420970 
H28 H     0.181217090     0.597117310     1.512847950 
H29 H     0.176215360     0.608686410     1.114254540 
H30 H     0.496216100     0.723311340     1.021909700 
H31 H     0.608600690     0.811786080     0.780238100 
H32 H     0.801347900     0.919335340     0.432296450 
H33 H     0.856306970     0.999845790     0.178955690 
H34 H     0.333097230     0.840013530     0.552340410 
H35 H     0.278537760     0.760063100     0.804135970 
H36 H     0.570387380     0.999735860     0.121497230 
H37 H     0.467691300     0.929040830     0.092124660 
H38 H     0.387533170     0.920716170     0.605452340 

#END
data_-150.060_g26a_fchk_2_15120_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 21.9949
_cell_length_b 13.6604
_cell_length_c 4.125
_cell_angle_alpha 101.5423
_cell_angle_beta 109.8018
_cell_angle_gamma 99.669
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.631869510     0.780096850     0.241498000 
C2 C     0.641077690     0.672193330     0.119163910 
C3 C     0.713410440     0.672722760     0.170562160 
C4 C     0.723159400     0.565144670     0.048996370 
C5 C     0.795455740     0.565650380     0.100135960 
C6 C     0.805071510     0.457998860    -0.021948950 
C7 C     0.877309310     0.458290570     0.028465100 
C8 C     0.886719270     0.350551560    -0.094608070 
C9 C     0.958870670     0.350558840    -0.045412490 
C10 C     0.967996110     0.242717170    -0.170121690 
C11 C     1.040036560     0.242446340    -0.122620430 
C12 C     1.048819370     0.134506570    -0.249744750 
C13 C     1.120789350     0.134198290    -0.202948310 
C14 C     1.128314870     0.025479150    -0.332597970 
C15 C     1.224839560    -0.048967660    -0.150407670 
C16 C     1.334069330    -0.098286140     0.017865880 
C17 C     1.400770110    -0.066320940     0.056079540 
C18 C     1.446212440    -0.122509670     0.178483530 
C19 C     1.426242870    -0.212758930     0.267085510 
C20 C     1.360078610    -0.244912650     0.230372960 
C21 C     1.314179700    -0.188357550     0.106669820 
C22 C     1.454877940    -0.360946310     0.437357530 
N1 N     1.196288540     0.022933710    -0.292762230 
N2 N     1.291028470    -0.036759600    -0.109774310 
O1 O     1.193665670    -0.117095340    -0.073055130 
O2 O     1.474653430    -0.262970810     0.385246990 
H1 H     0.579812810     0.777484810     0.201345350 
H2 H     0.662403710     0.816064750     0.526500000 
H3 H     0.646775980     0.830877160     0.092441960 
H4 H     0.608724650     0.636930390    -0.164429850 
H5 H     0.624407770     0.622314760     0.266690450 
H6 H     0.730152710     0.722626410     0.022997090 
H7 H     0.745835920     0.708011720     0.454358820 
H8 H     0.690689690     0.529902280    -0.234717340 
H9 H     0.706414590     0.515303190     0.196677540 
H10 H     0.812222770     0.615507850    -0.047437170 
H11 H     0.827941670     0.600808540     0.383845560 
H12 H     0.772525070     0.422845580    -0.305589500 
H13 H     0.788322170     0.408166610     0.125736970 
H14 H     0.894091050     0.508183700    -0.118971490 
H15 H     0.909876910     0.493282040     0.312127050 
H16 H     0.854049220     0.315560260    -0.378145380 
H17 H     0.869986740     0.300698960     0.053058560 
H18 H     0.975654580     0.400543670    -0.192589640 
H19 H     0.991566930     0.385270240     0.238163120 
H20 H     0.935147750     0.207985160    -0.453524080 
H21 H     0.951323670     0.192792940    -0.022516870 
H22 H     1.056814000     0.292602350    -0.269317020 
H23 H     1.072920720     0.276644720     0.160777340 
H24 H     1.015733680     0.100229230    -0.533122840 
H25 H     1.032208740     0.084462970    -0.102383390 
H26 H     1.137942200     0.184039050    -0.349339070 
H27 H     1.153922720     0.166235450     0.080086070 
H28 H     1.095763680    -0.009360580    -0.615384550 
H29 H     1.113432140    -0.023568110    -0.179479930 
H30 H     1.223400080     0.078853560    -0.350606730 
H31 H     1.311665640     0.022391460    -0.182504300 
H32 H     1.417230040     0.003616850    -0.011282650 
H33 H     1.497672940    -0.097874310     0.207700520 
H34 H     1.342956240    -0.314328460     0.296648440 
H35 H     1.263069070    -0.213525460     0.078948640 
H36 H     1.500228060    -0.387203580     0.528855980 
H37 H     1.433164100    -0.355647840     0.641426220 
H38 H     1.418818810    -0.416661660     0.187197630 

#END
data_-149.958_g26a_fchk_14_7140_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.6473
_cell_length_b 10.7012
_cell_length_c 46.2323
_cell_angle_alpha 90.0
_cell_angle_beta 77.9742
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.185938980     0.402631960     0.401306440 
C2 C    -0.013412250     0.481282120     0.424958040 
C3 C     0.156950900     0.556866720     0.443964620 
C4 C    -0.040468550     0.635876520     0.467695080 
C5 C     0.129751450     0.711391680     0.486711650 
C6 C    -0.068145470     0.790232070     0.510446050 
C7 C     0.101479760     0.865725410     0.529520560 
C8 C    -0.097111840     0.944238220     0.553271760 
C9 C     0.071691390     1.019637360     0.572439120 
C10 C    -0.127836430     1.097619530     0.596231270 
C11 C     0.040078910     1.172789040     0.615517790 
C12 C    -0.160545910     1.250008220     0.639388930 
C13 C     0.007099880     1.324989400     0.658708780 
C14 C    -0.198095580     1.401225700     0.682453030 
C15 C     0.054173240     1.416836660     0.724130730 
C16 C     0.307418150     1.472675820     0.765351830 
C17 C     0.450239540     1.570775790     0.776788610 
C18 C     0.583044170     1.552160560     0.800585510 
C19 C     0.576803910     1.434329440     0.813744700 
C20 C     0.434894690     1.336453490     0.802533890 
C21 C     0.301060800     1.355076000     0.778517800 
C22 C     0.706357740     1.307967850     0.851555170 
N1 N    -0.044450320     1.473105940     0.701265430 
N2 N     0.178831430     1.499583150     0.741012210 
O1 O     0.034546740     1.304345660     0.728512990 
O2 O     0.714104750     1.425108640     0.837094880 
H1 H     0.058741170     0.349548220     0.388102890 
H2 H     0.341144100     0.461666570     0.386191470 
H3 H     0.314693040     0.335948810     0.411331280 
H4 H    -0.171346300     0.420305250     0.439319250 
H5 H    -0.144509930     0.545227860     0.414389860 
H6 H     0.288263760     0.492953880     0.454555700 
H7 H     0.315113300     0.617930410     0.429608600 
H8 H    -0.198636410     0.574749870     0.482026000 
H9 H    -0.171658050     0.699756850     0.457087920 
H10 H     0.261029090     0.647541080     0.497316180 
H11 H     0.287788770     0.772608490     0.472395370 
H12 H    -0.226309570     0.728972590     0.524737660 
H13 H    -0.199326870     0.854101030     0.499836100 
H14 H     0.232868640     0.801886410     0.540115850 
H15 H     0.259371260     0.927155780     0.515251770 
H16 H    -0.255233740     0.882744670     0.567499110 
H17 H    -0.228295850     1.008136300     0.542670750 
H18 H     0.203279920     0.955775620     0.583006120 
H19 H     0.229317850     1.081417520     0.558247900 
H20 H    -0.285847100     1.035761860     0.610364130 
H21 H    -0.259027310     1.161622310     0.585661570 
H22 H     0.172015610     1.108874700     0.626028920 
H23 H     0.197108710     1.235163000     0.601454990 
H24 H    -0.318197300     1.187531070     0.653395360 
H25 H    -0.291843130     1.314119490     0.628869570 
H26 H     0.139288940     1.261765450     0.669350520 
H27 H     0.160382000     1.389469070     0.644987770 
H28 H    -0.355606720     1.339870200     0.696646460 
H29 H    -0.323155550     1.467273570     0.671949330 
H30 H    -0.028037520     1.566219910     0.698368030 
H31 H     0.182884640     1.590573000     0.735345770 
H32 H     0.457295090     1.663000850     0.766866770 
H33 H     0.693448190     1.627852750     0.809394840 
H34 H     0.425812530     1.244134750     0.812191660 
H35 H     0.191430910     1.279079720     0.769940610 
H36 H     0.827624110     1.320633620     0.869110910 
H37 H     0.480329550     1.279442230     0.861264090 
H38 H     0.812525320     1.234813840     0.836428290 

#END
data_-149.954_g26a_fchk_2_10297_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 24.6464
_cell_length_b 28.3546
_cell_length_c 4.7041
_cell_angle_alpha 72.2634
_cell_angle_beta 93.9031
_cell_angle_gamma 155.5143
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.958335760     0.750887640     0.670851550 
C2 C     0.958518190     0.701183280     0.916510670 
C3 C     0.895178260     0.604836490     0.888917550 
C4 C     0.894862730     0.554523440     1.133628250 
C5 C     0.831463390     0.458136160     1.106271220 
C6 C     0.831116400     0.407841910     1.351477360 
C7 C     0.767589660     0.311289180     1.324987660 
C8 C     0.767093430     0.260947380     1.571077610 
C9 C     0.703292090     0.164088240     1.545947480 
C10 C     0.702455580     0.113571880     1.793456400 
C11 C     0.638188800     0.016257280     1.770062810 
C12 C     0.636724490    -0.034648150     2.019611820 
C13 C     0.572244680    -0.132122790     1.996831580 
C14 C     0.571616290    -0.181901910     2.249222520 
C15 C     0.606866920    -0.223785630     2.024079050 
C16 C     0.593181370    -0.308438270     1.844714030 
C17 C     0.492020600    -0.421048300     1.838626780 
C18 C     0.545015320    -0.413642390     1.670739060 
C19 C     0.701560510    -0.292765760     1.502794870 
C20 C     0.802809830    -0.180360900     1.507237200 
C21 C     0.749492140    -0.187734810     1.676718210 
C22 C     0.898863830    -0.178234900     1.188998360 
N1 N     0.510129400    -0.275405570     2.234281410 
N2 N     0.529538390    -0.324907460     2.022650890 
O1 O     0.747188920    -0.100560770     1.859948070 
O2 O     0.742831700    -0.295392470     1.344523130 
H1 H     1.003864000     0.819256190     0.696268230 
H2 H     1.029145870     0.809716960     0.395618370 
H3 H     0.841365920     0.661697120     0.728905700 
H4 H     0.890083700     0.645753440     1.189267140 
H5 H     1.076340570     0.792499720     0.858141400 
H6 H     0.777236460     0.513385130     0.947300440 
H7 H     0.963602330     0.660226440     0.615975320 
H8 H     0.826500330     0.499231700     1.406431180 
H9 H     1.012821840     0.646016970     1.075066960 
H10 H     0.713516940     0.366647450     1.164727290 
H11 H     0.899856680     0.513410590     0.833586940 
H12 H     0.762823750     0.352691650     1.624085670 
H13 H     0.949077380     0.499343500     1.292898960 
H14 H     0.649665630     0.219826230     1.383287420 
H15 H     0.835966910     0.366433940     1.052581140 
H16 H     0.698895040     0.206016910     1.843359920 
H17 H     0.885038160     0.352416790     1.512545620 
H18 H     0.585426620     0.072712810     1.603912970 
H19 H     0.771649820     0.219026450     1.274010970 
H20 H     0.634370970     0.058949770     2.065245920 
H21 H     0.820344790     0.204928950     1.735082990 
H22 H     0.520443520    -0.074939330     1.827405170 
H23 H     0.706558810     0.070886320     1.498993340 
H24 H     0.568652930    -0.088934790     2.290727390 
H25 H     0.754503130     0.056528060     1.961609850 
H26 H     0.454385240    -0.223764420     2.054420970 
H27 H     0.641489450    -0.077769830     1.728983320 
H28 H     0.503523360    -0.236746430     2.520712500 
H29 H     0.689331400    -0.091361750     2.185537770 
H30 H     0.394859910    -0.377191650     2.363754210 
H31 H     0.413301890    -0.423444200     2.168206080 
H32 H     0.370000320    -0.515821940     1.967536910 
H33 H     0.466914300    -0.500596000     1.666293330 
H34 H     0.924627730    -0.085261690     1.379811290 
H35 H     0.828294770    -0.100469410     1.679220130 
H36 H     0.906732600    -0.201570650     1.080996030 
H37 H     0.977464510    -0.081398610     0.976310290 
H38 H     0.932442440    -0.163364340     1.384028620 

#END
data_-149.942_g26a_fchk_2_124_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 38.896
_cell_length_b 8.015
_cell_length_c 8.9921
_cell_angle_alpha 27.4141
_cell_angle_beta 96.4061
_cell_angle_gamma 82.6966
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.463031100     0.778974030     0.096926350 
C2 C     0.463361220     0.523718080     0.164469660 
C3 C     0.422767450     0.561629670     0.083710360 
C4 C     0.422777710     0.307431850     0.150417840 
C5 C     0.382207550     0.345054700     0.069928580 
C6 C     0.382299510     0.090260720     0.137187670 
C7 C     0.341777210     0.126891880     0.057362800 
C8 C     0.341996200    -0.128986680     0.125680740 
C9 C     0.301544740    -0.093936210     0.047005900 
C10 C     0.301941220    -0.351573690     0.117077050 
C11 C     0.261578550    -0.318586320     0.040058580 
C12 C     0.262192040    -0.578775290     0.112715860 
C13 C     0.221876700    -0.546549450     0.036436240 
C14 C     0.223241900    -0.809994400     0.111791760 
C15 C     0.170535990    -0.720013820    -0.159428760 
C16 C     0.110052880    -0.620856890    -0.405748580 
C17 C     0.070329160    -0.521776040    -0.483376480 
C18 C     0.045775520    -0.460446020    -0.664267340 
C19 C     0.060265230    -0.496184470    -0.773803600 
C20 C     0.099683530    -0.593875280    -0.698173110 
C21 C     0.124490370    -0.656144360    -0.515476590 
C22 C     0.048104320    -0.495570270    -1.040144210 
N1 N     0.185296090    -0.786727850     0.043106690 
N2 N     0.133042080    -0.679692420    -0.219345220 
O1 O     0.189384780    -0.703799490    -0.269439390 
O2 O     0.033797380    -0.430391270    -0.950358760 
H1 H     0.492364190     0.745796010     0.157173450 
H2 H     0.441944270     1.110738300    -0.191838540 
H3 H     0.454211050     0.679715200     0.272141920 
H4 H     0.485414420     0.194649370     0.452835140 
H5 H     0.473137570     0.622831760    -0.008016830 
H6 H     0.412950400     0.462488930     0.256222090 
H7 H     0.400671120     0.890923690    -0.204879900 
H8 H     0.444895900    -0.021711610     0.438963110 
H9 H     0.432592590     0.406766520    -0.022181180 
H10 H     0.372378670     0.245846170     0.242415290 
H11 H     0.360083730     0.674092000    -0.218662230 
H12 H     0.404456000    -0.238685440     0.425732520 
H13 H     0.392116500     0.189612110    -0.035409770 
H14 H     0.331937470     0.027863760     0.229720660 
H15 H     0.319615170     0.455666860    -0.231296110 
H16 H     0.364213790    -0.457608760     0.414249690 
H17 H     0.351804850    -0.029682860    -0.046913660 
H18 H     0.291697680    -0.192587820     0.219141240 
H19 H     0.279323290     0.234393400    -0.241757690 
H20 H     0.324246080    -0.679712940     0.405708520 
H21 H     0.311720000    -0.252431220    -0.055513320 
H22 H     0.251723680    -0.416536610     0.211786420 
H23 H     0.239274910     0.008917710    -0.248858020 
H24 H     0.284610260    -0.906305780     0.401648360 
H25 H     0.271943630    -0.480039330    -0.059707390 
H26 H     0.211823300    -0.644633210     0.207539810 
H27 H     0.199523630    -0.222000350    -0.253317410 
H28 H     0.245380420    -1.137684890     0.399614740 
H29 H     0.231941300    -0.704491400    -0.066750180 
H30 H     0.168921020    -0.794430300     0.126947880 
H31 H     0.120293880    -0.698132540    -0.115602470 
H32 H     0.058529180    -0.492507310    -0.400564450 
H33 H     0.015129110    -0.384296930    -0.723904270 
H34 H     0.111850880    -0.623738650    -0.779165560 
H35 H     0.154950790    -0.731409030    -0.457825300 
H36 H     0.022703620    -0.428826440    -1.175529380 
H37 H     0.059441560    -0.285261190    -1.230705040 
H38 H     0.071602140    -0.818602960    -0.791125380 

#END
data_-149.654_g26a_fchk_5_7032_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,-z
_cell_length_a 70.8778
_cell_length_b 4.17
_cell_length_c 11.6002
_cell_angle_alpha 90.0
_cell_angle_beta 39.6067
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.320847200     0.535510690     0.964816330 
C2 C     0.329461200     0.443761320     1.047463410 
C3 C     0.361898420     0.342670380     0.906053700 
C4 C     0.370741580     0.250400410     0.987343910 
C5 C     0.403162370     0.149141290     0.846028200 
C6 C     0.411947040     0.056671230     0.927647880 
C7 C     0.444348200    -0.045085110     0.786647720 
C8 C     0.453040250    -0.138059340     0.868753390 
C9 C     0.485410150    -0.240709140     0.728190520 
C10 C     0.493971880    -0.334654630     0.810952340 
C11 C     0.526296790    -0.438618420     0.670870900 
C12 C     0.534698020    -0.534183620     0.754401310 
C13 C     0.566989660    -0.638678050     0.614494900 
C14 C     0.574855320    -0.733751390     0.701204600 
C15 C     0.622781110    -0.710913180     0.576046130 
C16 C     0.674939390    -0.744005590     0.404424500 
C17 C     0.703091090    -0.867279690     0.246615310 
C18 C     0.726988630    -0.807412890     0.205498970 
C19 C     0.723444580    -0.621332690     0.321443330 
C20 C     0.695550230    -0.497593410     0.478343590 
C21 C     0.671422650    -0.558006230     0.520051170 
C22 C     0.745233840    -0.409662340     0.389916740 
N1 N     0.605438710    -0.835738410     0.571176080 
N2 N     0.651793230    -0.817453940     0.436336100 
O1 O     0.612993480    -0.527039780     0.694619170 
O2 O     0.748317350    -0.575664300     0.269435100 
H1 H     0.297592700     0.606142120     1.068668660 
H2 H     0.334215350     0.736499290     0.870768060 
H3 H     0.324270000     0.334648930     0.889470790 
H4 H     0.315257250     0.247656950     1.144389310 
H5 H     0.325202400     0.646406830     1.125410270 
H6 H     0.366188020     0.139824110     0.827943090 
H7 H     0.376134430     0.538811400     0.808961850 
H8 H     0.356484090     0.054413010     1.084478220 
H9 H     0.366448490     0.453338700     1.065401300 
H10 H     0.407465150    -0.053744200     0.767912240 
H11 H     0.417431090     0.345128230     0.748940380 
H12 H     0.397651520    -0.139123030     1.024848540 
H13 H     0.407651520     0.259619600     1.005705540 
H14 H     0.448656530    -0.247882690     0.708469480 
H15 H     0.458660970     0.150758150     0.689555740 
H16 H     0.438682520    -0.333565180     0.966043860 
H17 H     0.448753080     0.064843850     0.946797290 
H18 H     0.489716440    -0.443296400     0.649921870 
H19 H     0.499793120    -0.045095520     0.631108250 
H20 H     0.479523110    -0.529769590     0.908348730 
H21 H     0.489714560    -0.131906280     0.888946040 
H22 H     0.530594540    -0.640794720     0.592453950 
H23 H     0.540786990    -0.243344800     0.573899380 
H24 H     0.520122020    -0.728980400     0.851837860 
H25 H     0.530472640    -0.331751530     0.832386540 
H26 H     0.571471160    -0.841198520     0.535638530 
H27 H     0.581692190    -0.443320180     0.519042970 
H28 H     0.560547180    -0.928833650     0.798119940 
H29 H     0.571381570    -0.529707790     0.774879100 
H30 H     0.614183000    -0.984291660     0.470754930 
H31 H     0.657400710    -0.969083780     0.345948060 
H32 H     0.706282610    -1.012280320     0.154832980 
H33 H     0.748707780    -0.902765970     0.083778290 
H34 H     0.692030360    -0.352591200     0.570968540 
H35 H     0.649896180    -0.461583590     0.641527620 
H36 H     0.767279780    -0.400830000     0.323875770 
H37 H     0.737129040    -0.164615250     0.414919550 
H38 H     0.730257930    -0.535826960     0.519317290 

#END
data_-149.607_g26a_fchk_2_10347_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 11.007
_cell_length_b 4.5085
_cell_length_c 43.383
_cell_angle_alpha 112.8892
_cell_angle_beta 51.5113
_cell_angle_gamma 136.697
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.327662930     0.935795280     0.290186060 
C2 C     0.228338950     1.083543080     0.328527180 
C3 C     0.118596340     0.835711530     0.365897610 
C4 C     0.018706240     0.981072980     0.404418120 
C5 C    -0.091126040     0.733208770     0.441783430 
C6 C    -0.191079960     0.878822740     0.480268250 
C7 C    -0.301256990     0.631102470     0.517683180 
C8 C    -0.401422860     0.776855570     0.556111550 
C9 C    -0.512198160     0.529118020     0.593595730 
C10 C    -0.612822570     0.674753370     0.631949510 
C11 C    -0.724441340     0.426625020     0.669502820 
C12 C    -0.825891160     0.571620430     0.707773720 
C13 C    -0.937809070     0.323209320     0.745321230 
C14 C    -1.038399920     0.473108310     0.783204400 
C15 C    -1.038661810     0.366382500     0.834737340 
C16 C    -1.102925020     0.136640460     0.891126730 
C17 C    -1.255126320    -0.194954860     0.922176530 
C18 C    -1.209801220    -0.178393530     0.946553530 
C19 C    -1.009873760     0.171804120     0.940568000 
C20 C    -0.857730030     0.502140540     0.909736380 
C21 C    -0.903285690     0.486018230     0.885147090 
C22 C    -0.779787140     0.509445390     0.961215100 
N1 N    -1.146916760     0.240631870     0.819420490 
N2 N    -1.162436360     0.095069060     0.867806250 
O1 O    -0.851882410     0.690201130     0.820357180 
O2 O    -0.980180210     0.159434270     0.966162840 
H1 H     0.404571220     1.117381890     0.264000740 
H2 H     0.445745260     0.983354120     0.287937560 
H3 H     0.209265630     0.589529320     0.289016290 
H4 H     0.114721440     1.042790580     0.329554880 
H5 H     0.349290520     1.433020480     0.328544200 
H6 H    -0.002519170     0.485831140     0.365914060 
H7 H     0.232198740     0.876289460     0.364895620 
H8 H    -0.094755970     0.940624640     0.405380840 
H9 H     0.139901700     1.330900620     0.404379640 
H10 H    -0.212297460     0.383348980     0.441826180 
H11 H     0.022297330     0.773823080     0.440852670 
H12 H    -0.304342100     0.838508270     0.481162800 
H13 H    -0.069872180     1.228647640     0.480224640 
H14 H    -0.422371000     0.281213460     0.517719850 
H15 H    -0.188031760     0.671804870     0.516843690 
H16 H    -0.514370780     0.736690860     0.556891680 
H17 H    -0.280260990     1.126650310     0.556083210 
H18 H    -0.633151350     0.179211640     0.593600360 
H19 H    -0.399292950     0.569997440     0.592905180 
H20 H    -0.725324440     0.634719530     0.632558000 
H21 H    -0.491820240     1.024444210     0.631975210 
H22 H    -0.845076130     0.076725620     0.669442060 
H23 H    -0.612041120     0.468005010     0.669059880 
H24 H    -0.937889300     0.531304440     0.708128640 
H25 H    -0.705166410     0.921160060     0.707873140 
H26 H    -1.059006460    -0.027046840     0.745540210 
H27 H    -0.826237180     0.369284580     0.745615950 
H28 H    -1.151108910     0.432752410     0.783983840 
H29 H    -0.917448970     0.818310430     0.783785560 
H30 H    -1.300382910    -0.030312710     0.831657050 
H31 H    -1.314920520    -0.163445090     0.877040330 
H32 H    -1.411328900    -0.469759600     0.927281070 
H33 H    -1.327322260    -0.434152520     0.970533080 
H34 H    -0.701458450     0.777639420     0.904263070 
H35 H    -0.785014110     0.742230490     0.861325930 
H36 H    -0.789934270     0.437561240     0.984346510 
H37 H    -0.656710880     0.534208920     0.932130640 
H38 H    -0.739761140     0.820498090     0.964773980 

#END
data_-149.576_g26a_fchk_15_12056_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 23.7175
_cell_length_b 4.1497
_cell_length_c 55.9031
_cell_angle_alpha 90.0
_cell_angle_beta 126.1469
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.196555640     0.955236150     0.821063610 
C2 C     0.146959380     0.874814240     0.829255040 
C3 C     0.185033030     0.801639870     0.862237550 
C4 C     0.135883520     0.720882930     0.870663680 
C5 C     0.173928320     0.647526620     0.903630870 
C6 C     0.124675690     0.566521070     0.911999650 
C7 C     0.162586470     0.492657370     0.944948920 
C8 C     0.113189860     0.411069320     0.953228520 
C9 C     0.150920590     0.336293610     0.986150560 
C10 C     0.101337230     0.253622690     0.994306820 
C11 C     0.138883130     0.177501290     1.027191130 
C12 C     0.089092690     0.093071150     1.035198890 
C13 C     0.126589260     0.016390370     1.068053680 
C14 C     0.075756100    -0.067982620     1.075518060 
C15 C     0.090357530     0.007337900     1.122550440 
C16 C     0.123873840     0.026393580     1.174352420 
C17 C     0.174748130    -0.075548300     1.203479610 
C18 C     0.171452880     0.013648990     1.226473450 
C19 C     0.116947680     0.208656470     1.221012200 
C20 C     0.066269760     0.311323580     1.192136610 
C21 C     0.069499650     0.221321290     1.168920090 
C22 C     0.059677950     0.448464520     1.240107520 
N1 N     0.110051330    -0.143549630     1.106635280 
N2 N     0.131029880    -0.076420500     1.152239640 
O1 O     0.041067500     0.193579530     1.111083450 
O2 O     0.118131510     0.283738390     1.245118550 
H1 H     0.168034900     1.005933660     0.797410150 
H2 H     0.228348960     1.166954680     0.833215600 
H3 H     0.232249680     0.754963980     0.826435190 
H4 H     0.114551640     0.667238940     0.816243370 
H5 H     0.110812610     1.076114300     0.823048310 
H6 H     0.221231510     0.600164390     0.868476600 
H7 H     0.217490520     1.009278790     0.875281070 
H8 H     0.103425800     0.513377600     0.857598140 
H9 H     0.099714600     0.922445290     0.864421090 
H10 H     0.210116150     0.446025020     0.909882870 
H11 H     0.206351160     0.855044410     0.916706760 
H12 H     0.092222580     0.359172960     0.898895760 
H13 H     0.088509090     0.768091070     0.905754640 
H14 H     0.198799080     0.291247370     0.951206140 
H15 H     0.194966960     0.700075690     0.958068030 
H16 H     0.080753870     0.203950170     0.940062260 
H17 H     0.077021860     0.612602060     0.946991960 
H18 H     0.187179050     0.135089180     0.992405070 
H19 H     0.183225470     0.543553260     0.999338400 
H20 H     0.068939280     0.046806500     0.981049720 
H21 H     0.065164710     0.455028840     0.988100360 
H22 H     0.175221590    -0.023305070     1.033435800 
H23 H     0.171024370     0.384532570     1.040483060 
H24 H     0.056803640    -0.113553740     1.021817410 
H25 H     0.052893790     0.294192520     1.029025340 
H26 H     0.162960600    -0.184589500     1.074480440 
H27 H     0.157749670     0.223771870     1.081535080 
H28 H     0.043453570    -0.274639830     1.062399440 
H29 H     0.040927720     0.135369390     1.070089190 
H30 H     0.151341410    -0.293438860     1.116739080 
H31 H     0.170449140    -0.232567250     1.159263900 
H32 H     0.217508710    -0.227061640     1.208160670 
H33 H     0.210688400    -0.065242830     1.248946830 
H34 H     0.023414700     0.462469290     1.187132010 
H35 H     0.030192840     0.301530060     1.146627320 
H36 H     0.070943550     0.482953710     1.261843380 
H37 H     0.052275530     0.683967630     1.229742660 
H38 H     0.011692950     0.306755320     1.226206180 

#END
data_-149.553_g26a_fchk_19_2899_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 4.7726
_cell_length_b 52.0915
_cell_length_c 9.0084
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.938211830     0.848786740     0.165246010 
C2 C     0.773691020     0.831456520     0.059427100 
C3 C     0.943914490     0.808467730     0.004030630 
C4 C     0.781220540     0.791008510    -0.101908240 
C5 C     0.951378420     0.768033430    -0.157380940 
C6 C     0.788346070     0.750615590    -0.263420560 
C7 C     0.958124720     0.727641670    -0.319217000 
C8 C     0.794678270     0.710296810    -0.425476130 
C9 C     0.964006080     0.687333560    -0.481796360 
C10 C     0.800105010     0.670099540    -0.588459990 
C11 C     0.969073200     0.647167640    -0.645467470 
C12 C     0.804809180     0.630082750    -0.752786780 
C13 C     0.973728410     0.607184040    -0.810020610 
C14 C     0.805388060     0.590414360    -0.917369230 
C15 C     0.888928810     0.543893730    -0.934903110 
C16 C     1.051046990     0.498548870    -0.975011750 
C17 C     1.251217980     0.483632810    -1.049643270 
C18 C     1.247872250     0.457123440    -1.040506270 
C19 C     1.043389490     0.444668640    -0.955949210 
C20 C     0.844085970     0.459362390    -0.881286810 
C21 C     0.847082800     0.486100910    -0.890504090 
C22 C     0.845732070     0.405025180    -0.875072920 
N1 N     0.961534290     0.568529470    -0.974161890 
N2 N     1.068977740     0.525418940    -0.990701370 
O1 O     0.682761140     0.539180760    -0.859424460 
O2 O     1.057085880     0.418454740    -0.953777910 
H1 H     0.812005060     0.865046640     0.202871600 
H2 H     1.006486940     0.838168930     0.263632320 
H3 H     1.125743400     0.856477610     0.111312960 
H4 H     0.701829290     0.842700750    -0.036165030 
H5 H     0.583991170     0.824483360     0.114995030 
H6 H     1.133862180     0.815424240    -0.051618400 
H7 H     1.015954900     0.797200760     0.099639440 
H8 H     0.709139700     0.802294290    -0.197416700 
H9 H     0.591361250     0.784059980    -0.046182750 
H10 H     1.141295680     0.774975130    -0.213079360 
H11 H     1.023326890     0.756729060    -0.061927730 
H12 H     0.716233120     0.761937180    -0.358779880 
H13 H     0.598492950     0.743669810    -0.207684360 
H14 H     1.148113130     0.734581270    -0.374860390 
H15 H     1.029949110     0.716286610    -0.223941400 
H16 H     0.722556350     0.721679500    -0.520593140 
H17 H     0.604831430     0.703343120    -0.369774280 
H18 H     1.154113870     0.694280890    -0.537297620 
H19 H     1.035602040     0.675896060    -0.386812710 
H20 H     0.728027430     0.681574950    -0.683222020 
H21 H     0.610280740     0.663117620    -0.532877560 
H22 H     1.159378050     0.654132640    -0.700693790 
H23 H     1.040134860     0.635594010    -0.550976080 
H24 H     0.733064170     0.641703530    -0.847091600 
H25 H     0.614966410     0.623068920    -0.697419570 
H26 H     1.164244570     0.613976530    -0.865656310 
H27 H     1.041043010     0.595190080    -0.716874620 
H28 H     0.733661930     0.601766850    -1.012243060 
H29 H     0.620316290     0.582896200    -0.861071190 
H30 H     1.134256990     0.571855960    -1.035247750 
H31 H     1.232793830     0.531557680    -1.051654660 
H32 H     1.411802590     0.492963290    -1.115840670 
H33 H     1.402233870     0.445614130    -1.098198820 
H34 H     0.683046480     0.450351500    -0.814845820 
H35 H     0.692553770     0.497379220    -0.832471510 
H36 H     0.894407870     0.384723310    -0.887702980 
H37 H     0.846440810     0.409990690    -0.756828130 
H38 H     0.637286550     0.408845590    -0.921148050 

#END
data_-149.521_g26a_fchk_2_6937_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 8.8642
_cell_length_b 4.5782
_cell_length_c 33.7887
_cell_angle_alpha 120.0284
_cell_angle_beta 86.5701
_cell_angle_gamma 107.7095
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -0.000265050     0.725363780     0.769458640 
C2 C    -0.029061200     1.038028040     0.812839150 
C3 C    -0.088793090     0.947058230     0.850031560 
C4 C    -0.117972550     1.258077080     0.893575060 
C5 C    -0.177778690     1.167171610     0.930752550 
C6 C    -0.207026990     1.478489930     0.974245950 
C7 C    -0.267035620     1.388190810     1.011460180 
C8 C    -0.296490870     1.699838980     1.054861970 
C9 C    -0.356882340     1.610293570     1.092115030 
C10 C    -0.386762120     1.922268850     1.135377100 
C11 C    -0.447741850     1.833370490     1.172643580 
C12 C    -0.478359360     2.145542730     1.215717610 
C13 C    -0.539585520     2.056689250     1.252947420 
C14 C    -0.569662950     2.372575170     1.295634680 
C15 C    -0.781951720     2.279330240     1.342450120 
C16 C    -0.961618160     2.187164500     1.398333920 
C17 C    -0.969276660     2.114668150     1.434264550 
C18 C    -1.107844380     2.072037400     1.454758680 
C19 C    -1.243568530     2.101043650     1.439893950 
C20 C    -1.236787530     2.173611100     1.404262000 
C21 C    -1.097140250     2.216386440     1.383535970 
C22 C    -1.513554770     2.091333760     1.449026850 
N1 N    -0.628745730     2.295001990     1.331566640 
N2 N    -0.816044990     2.225446270     1.379274940 
O1 O    -0.877346240     2.306848090     1.320911130 
O2 O    -1.374661240     2.054491570     1.462203980 
H1 H     0.042042050     0.797406780     0.743479230 
H2 H     0.088974730     0.635492440     0.777306030 
H3 H    -0.109820520     0.498702320     0.754056970 
H4 H    -0.115760430     1.128496640     0.803840720 
H5 H     0.081463810     1.263814060     0.826976050 
H6 H    -0.199431090     0.721077290     0.835920390 
H7 H    -0.002089780     0.856452610     0.859060810 
H8 H    -0.204601710     1.348612240     0.884507580 
H9 H    -0.007298990     1.483885480     0.907663640 
H10 H    -0.288431790     0.941306260     0.916671390 
H11 H    -0.091138080     1.076890850     0.939860480 
H12 H    -0.293565120     1.568857570     0.965107390 
H13 H    -0.096349360     1.704275470     0.988328810 
H14 H    -0.377653150     1.162221410     0.997375730 
H15 H    -0.180449520     1.298333510     1.020672060 
H16 H    -0.382896590     1.789872040     1.045601460 
H17 H    -0.185834450     1.925663120     1.068960650 
H18 H    -0.467411370     1.384083660     1.078002190 
H19 H    -0.270380840     1.521158290     1.101497180 
H20 H    -0.472993490     2.011731120     1.125930520 
H21 H    -0.276178470     2.148229210     1.149532050 
H22 H    -0.558095220     1.606725600     1.158472430 
H23 H    -0.361349120     1.745620310     1.182313250 
H24 H    -0.564476520     2.233843740     1.205977780 
H25 H    -0.367920570     2.371748640     1.229944010 
H26 H    -0.650107460     1.830633220     1.239092490 
H27 H    -0.452829110     1.975638390     1.263565160 
H28 H    -0.655900400     2.462129360     1.286392240 
H29 H    -0.458824400     2.594503370     1.310472570 
H30 H    -0.552220040     2.275042380     1.350222660 
H31 H    -0.727813630     2.206938400     1.394486040 
H32 H    -0.865031410     2.091305850     1.446297800 
H33 H    -1.113772940     2.015822730     1.482463260 
H34 H    -1.339548560     2.197936990     1.391931480 
H35 H    -1.092485410     2.272693160     1.356005770 
H36 H    -1.602547660     2.042993770     1.470530720 
H37 H    -1.492094160     2.359732740     1.454978740 
H38 H    -1.557837340     1.896550070     1.412764740 

#END
data_-149.498_g26a_fchk_2_4552_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.5242
_cell_length_b 35.9901
_cell_length_c 13.7086
_cell_angle_alpha 113.9089
_cell_angle_beta 142.9569
_cell_angle_gamma 56.4607
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.078520000     0.750680700     0.356035520 
C2 C     0.387054350     0.709106770     0.331231700 
C3 C     0.364091480     0.666750970     0.321675050 
C4 C     0.671526370     0.624968130     0.296869840 
C5 C     0.648934280     0.582614220     0.287409090 
C6 C     0.957101700     0.540865990     0.262764450 
C7 C     0.935755080     0.498450570     0.253466310 
C8 C     1.245288550     0.456752310     0.229177390 
C9 C     1.225953110     0.414246160     0.220213090 
C10 C     1.537737530     0.372606630     0.196557010 
C11 C     1.521065990     0.330000010     0.188150180 
C12 C     1.836164350     0.288412910     0.165485040 
C13 C     1.820491150     0.245800690     0.157366330 
C14 C     2.139224930     0.204651500     0.135033830 
C15 C     1.677249300     0.155622700    -0.007903500 
C16 C     1.345293760     0.097903260    -0.107573880 
C17 C     1.486128060     0.058044530    -0.060288110 
C18 C     1.134977660     0.037601920    -0.167144300 
C19 C     0.629726890     0.056512220    -0.325250350 
C20 C     0.486606320     0.096150600    -0.373028050 
C21 C     0.840570550     0.116785410    -0.265413910 
C22 C    -0.200462850     0.051487790    -0.584069250 
N1 N     2.133304480     0.163555640     0.127658650 
N2 N     1.727454780     0.116412040     0.008626120 
O1 O     1.273472130     0.180916230    -0.130439170 
O2 O     0.311382190     0.033873580    -0.421840730 
H1 H     0.102192350     0.780387680     0.362660400 
H2 H    -0.348416050     0.757236580     0.256160860 
H3 H     0.241028160     0.746503450     0.468545950 
H4 H     0.809871440     0.703960730     0.430637650 
H5 H     0.224415500     0.714545900     0.219796800 
H6 H     0.526806310     0.661270970     0.433161770 
H7 H    -0.058994390     0.671869960     0.222208260 
H8 H     1.094407860     0.619894050     0.396325290 
H9 H     0.508570770     0.630472920     0.185376540 
H10 H     0.811732730     0.577105860     0.398868470 
H11 H     0.226169880     0.587655330     0.187893120 
H12 H     1.379719460     0.535868060     0.362239910 
H13 H     0.794125210     0.546376370     0.151275200 
H14 H     1.098327220     0.492950230     0.364892200 
H15 H     0.513313490     0.503393110     0.153858850 
H16 H     1.667480460     0.451881160     0.328706360 
H17 H     1.082375460     0.462245600     0.117684660 
H18 H     1.388048700     0.408783660     0.331589000 
H19 H     0.804056810     0.419028120     0.120453180 
H20 H     1.959304700     0.367924430     0.296189670 
H21 H     1.375039590     0.378039540     0.085049250 
H22 H     1.682269950     0.324614530     0.299432450 
H23 H     1.100163010     0.334516640     0.088110900 
H24 H     2.256991240     0.284002750     0.265414050 
H25 H     1.673997950     0.293761320     0.054010760 
H26 H     1.981897190     0.240112470     0.268332860 
H27 H     1.402842260     0.249561800     0.055862610 
H28 H     2.560251910     0.199788700     0.234351520 
H29 H     1.968896150     0.209507150     0.021970230 
H30 H     2.458333010     0.142342790     0.227524860 
H31 H     2.080090360     0.098150950     0.115563630 
H32 H     1.876836610     0.042856950     0.062072720 
H33 H     1.243882850     0.006824000    -0.130673610 
H34 H     0.098869140     0.111693550    -0.494400900 
H35 H     0.727811280     0.147455920    -0.302937310 
H36 H    -0.384097950     0.028668480    -0.639058550 
H37 H    -0.457760760     0.084922600    -0.588853870 
H38 H    -0.162833070     0.052992530    -0.651943290 

#END
data_-149.117_g26a_fchk_4_13233_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 4.5006
_cell_length_b 7.7527
_cell_length_c 38.6357
_cell_angle_alpha 90.0
_cell_angle_beta 124.5249
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.352948780     0.716389700     0.742875770 
C2 C    -0.028418820     0.719733140     0.702608260 
C3 C    -0.033767120     0.714200490     0.662654750 
C4 C    -0.414041240     0.717490360     0.622193300 
C5 C    -0.419487690     0.712066780     0.582245800 
C6 C    -0.800037460     0.715543510     0.541823640 
C7 C    -0.806270710     0.710353230     0.501825330 
C8 C    -1.187174100     0.714229470     0.461465490 
C9 C    -1.194474310     0.709477620     0.421396610 
C10 C    -1.575827920     0.714055590     0.381119690 
C11 C    -1.584211740     0.709983720     0.340981190 
C12 C    -1.966059830     0.715650480     0.300797430 
C13 C    -1.974622880     0.711899670     0.260666540 
C14 C    -2.359156820     0.718058250     0.220903810 
C15 C    -2.277798630     0.858023120     0.169639850 
C16 C    -2.250353160     0.956282370     0.109560160 
C17 C    -2.330727370     0.906393800     0.070210310 
C18 C    -2.259412590     1.014499060     0.047263900 
C19 C    -2.105081860     1.176612220     0.063035740 
C20 C    -2.025019770     1.227190770     0.102079870 
C21 C    -2.096541830     1.118224080     0.125272170 
C22 C    -1.898692860     1.441519620     0.052357090 
N1 N    -2.375341040     0.715460490     0.182213990 
N2 N    -2.330468920     0.838126500     0.130907680 
O1 O    -2.153361280     0.987606500     0.191269970 
O2 O    -2.044519900     1.274060890     0.038118150 
H1 H     0.348887360     0.720712000     0.770886940 
H2 H     0.496317720     0.599154630     0.744621460 
H3 H     0.510951630     0.826647670     0.744204360 
H4 H    -0.168957050     0.836131670     0.702159450 
H5 H    -0.183187890     0.610279940     0.702508570 
H6 H     0.121072590     0.823708610     0.662718720 
H7 H     0.106866380     0.597733200     0.663075680 
H8 H    -0.554500900     0.833929220     0.621813930 
H9 H    -0.568657580     0.607957620     0.622152380 
H10 H    -0.264810650     0.821559460     0.582281910 
H11 H    -0.279319070     0.595586060     0.582591400 
H12 H    -0.940173470     0.831974250     0.541516520 
H13 H    -0.954621090     0.606012370     0.541788140 
H14 H    -0.651462010     0.819800400     0.501867550 
H15 H    -0.666689580     0.593824170     0.502074290 
H16 H    -1.326726940     0.830665290     0.461279630 
H17 H    -1.341831760     0.604701310     0.461413820 
H18 H    -1.039329260     0.818844780     0.421472190 
H19 H    -1.055879460     0.592868100     0.421487910 
H20 H    -1.714453190     0.830520720     0.381115670 
H21 H    -1.730745800     0.604535050     0.381010760 
H22 H    -1.428437570     0.819200450     0.341125000 
H23 H    -1.447417580     0.593223350     0.340810650 
H24 H    -2.103089590     0.832297720     0.301062100 
H25 H    -2.121417580     0.606203990     0.300610760 
H26 H    -1.819960500     0.820884140     0.260512590 
H27 H    -1.845292370     0.594150660     0.259717970 
H28 H    -2.498143920     0.834228990     0.220716750 
H29 H    -2.510876000     0.606716110     0.220189140 
H30 H    -2.480586720     0.611085210     0.163538040 
H31 H    -2.435404010     0.725358880     0.115823150 
H32 H    -2.450839040     0.780955130     0.057427850 
H33 H    -2.321201130     0.975927880     0.016911510 
H34 H    -1.905665760     1.351738420     0.115205740 
H35 H    -2.034300850     1.157996330     0.155445280 
H36 H    -1.870710680     1.495830820     0.028356930 
H37 H    -2.078567740     1.523567130     0.055840080 
H38 H    -1.633312490     1.436761570     0.082342300 

#END
data_-148.819_g26a_fchk_2_15629_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.1382
_cell_length_b 20.701
_cell_length_c 25.1715
_cell_angle_alpha 101.9434
_cell_angle_beta 42.3148
_cell_angle_gamma 124.1799
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.436162590     0.380709650     0.725066460 
C2 C     0.634485360     0.469985590     0.719159970 
C3 C     0.168837730     0.474217060     0.804997390 
C4 C     0.362912600     0.563260440     0.799782770 
C5 C    -0.102647090     0.567507780     0.885572190 
C6 C     0.092123900     0.656600840     0.880186350 
C7 C    -0.372973330     0.661017650     0.965870610 
C8 C    -0.177402870     0.750164780     0.960222980 
C9 C    -0.642075540     0.754804740     1.045755900 
C10 C    -0.445731890     0.844009800     1.039747630 
C11 C    -0.910298010     0.848863280     1.125098480 
C12 C    -0.713553890     0.938114190     1.118657220 
C13 C    -1.178181850     0.942990140     1.203915300 
C14 C    -0.972210510     1.032796090     1.195857950 
C15 C    -1.212558420     1.102039180     1.299372910 
C16 C    -1.646554620     1.150994090     1.421699790 
C17 C    -2.197242820     1.130482160     1.504346040 
C18 C    -2.198529580     1.181143920     1.549893830 
C19 C    -1.646460440     1.254170640     1.514022560 
C20 C    -1.097464730     1.274887450     1.431988710 
C21 C    -1.095507890     1.223880750     1.385951460 
C22 C    -1.150415260     1.379930830     1.526267970 
N1 N    -1.407312260     1.039243710     1.276021070 
N2 N    -1.686514220     1.096121760     1.379684940 
O1 O    -0.671073580     1.157608280     1.252401990 
O2 O    -1.694386600     1.300143670     1.563872160 
H1 H     0.776111150     0.379494850     0.662940040 
H2 H     0.372359710     0.354476670     0.768105190 
H3 H     0.001766440     0.338582270     0.749428230 
H4 H     0.710105140     0.495533190     0.674085080 
H5 H     1.076699550     0.511249660     0.692840470 
H6 H    -0.274018640     0.432936300     0.831405920 
H7 H     0.092810310     0.448653490     0.850162920 
H8 H     0.439170480     0.588783230     0.754572410 
H9 H     0.805680020     0.604490190     0.773381190 
H10 H    -0.545522930     0.526266750     0.912003040 
H11 H    -0.178724200     0.542055790     0.930789130 
H12 H     0.168682330     0.682045580     0.834899020 
H13 H     0.534895460     0.697822710     0.853780800 
H14 H    -0.815946000     0.619748780     0.992324920 
H15 H    -0.449084180     0.635708480     1.011158900 
H16 H    -0.100440720     0.775468390     0.914814350 
H17 H     0.265302520     0.791404410     0.933834160 
H18 H    -1.085134240     0.713461560     1.072227910 
H19 H    -0.718188320     0.729735030     1.091153930 
H20 H    -0.368292340     0.869088500     0.994167740 
H21 H    -0.003259600     0.885312070     1.013418770 
H22 H    -1.353446160     0.807380720     1.151591090 
H23 H    -0.986094080     0.824229180     1.170640990 
H24 H    -0.636023220     0.962801750     1.072864910 
H25 H    -0.271336300     0.979517670     1.092382230 
H26 H    -1.622574220     0.901793470     1.230806150 
H27 H    -1.248404170     0.920160920     1.249427690 
H28 H    -0.895892410     1.057985800     1.150616580 
H29 H    -0.540148110     1.073512840     1.171805550 
H30 H    -1.856951930     0.993773990     1.316400390 
H31 H    -2.116452600     1.047447920     1.412840570 
H32 H    -2.630788790     1.073979330     1.533301290 
H33 H    -2.623544850     1.165340230     1.613648650 
H34 H    -0.662166810     1.330898300     1.402333160 
H35 H    -0.669622160     1.240157660     1.322539640 
H36 H    -1.288789510     1.405706050     1.575970960 
H37 H    -0.822279520     1.374362520     1.504286360 
H38 H    -0.931646600     1.422428810     1.472721110 

#END
data_-148.812_g26a_fchk_2_698_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 30.13
_cell_length_b 11.9198
_cell_length_c 6.9487
_cell_angle_alpha 139.3609
_cell_angle_beta 136.2953
_cell_angle_gamma 57.7906
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.251472800     0.245330790     0.296690490 
C2 C     0.241636510     0.237061000     0.473112190 
C3 C     0.171072250     0.247321400     0.324732940 
C4 C     0.160710950     0.239156660     0.499463580 
C5 C     0.090178870     0.249515580     0.351354700 
C6 C     0.079941680     0.241500080     0.526742540 
C7 C     0.009458370     0.252053310     0.379461130 
C8 C    -0.000590140     0.244382810     0.555980020 
C9 C    -0.071004060     0.255321220     0.410001600 
C10 C    -0.080796130     0.248279930     0.588269260 
C11 C    -0.151123890     0.259841330     0.443981310 
C12 C    -0.160614280     0.253805530     0.624664500 
C13 C    -0.230883040     0.265669010     0.481044880 
C14 C    -0.239164000     0.259754570     0.666233720 
C15 C    -0.342347710     0.125479400     0.270812360 
C16 C    -0.455014490     0.039545070    -0.095517530 
C17 C    -0.515999800     0.104407820    -0.167356690 
C18 C    -0.567170950    -0.003555210    -0.414766980 
C19 C    -0.558875510    -0.180531390    -0.598936670 
C20 C    -0.498446680    -0.245961680    -0.529421320 
C21 C    -0.446780490    -0.137193310    -0.279730700 
C22 C    -0.605461890    -0.456109970    -1.023419880 
N1 N    -0.305574570     0.271622550     0.535917550 
N2 N    -0.405497870     0.158505100     0.161331120 
O1 O    -0.320259640    -0.018163630     0.150400710 
O2 O    -0.612193130    -0.276612860    -0.837652100 
H1 H     0.302231400     0.238006450     0.407885900 
H2 H     0.225381060     0.138889250     0.004280400 
H3 H     0.233925640     0.365619730     0.339186640 
H4 H     0.269536820     0.342356320     0.766574610 
H5 H     0.260890070     0.117309600     0.433602840 
H6 H     0.151746460     0.367146820     0.364138720 
H7 H     0.143103340     0.141976140     0.030985270 
H8 H     0.188724270     0.344469660     0.793173440 
H9 H     0.180040390     0.119313850     0.459917820 
H10 H     0.070829000     0.369325080     0.390771320 
H11 H     0.062150350     0.144153500     0.057700480 
H12 H     0.108030890     0.346799470     0.820432140 
H13 H     0.099275560     0.121659030     0.487191650 
H14 H    -0.009904260     0.371824840     0.418720670 
H15 H    -0.018649670     0.146639440     0.085871650 
H16 H     0.027620890     0.349680850     0.849631050 
H17 H     0.018727070     0.124545850     0.516436750 
H18 H    -0.090365800     0.375024530     0.448979750 
H19 H    -0.099237390     0.149819250     0.116538560 
H20 H    -0.052409850     0.353601310     0.881851670 
H21 H    -0.061538400     0.128454640     0.548746940 
H22 H    -0.170473610     0.379413910     0.482452860 
H23 H    -0.179539910     0.154164100     0.150836830 
H24 H    -0.131998320     0.359315410     0.918171440 
H25 H    -0.141420020     0.134052920     0.585340170 
H26 H    -0.250595020     0.385050440     0.519008290 
H27 H    -0.259527680     0.158781080     0.189774300 
H28 H    -0.211060200     0.364831650     0.959004320 
H29 H    -0.221595710     0.138601870     0.619074940 
H30 H    -0.325242650     0.388196320     0.627438770 
H31 H    -0.418398500     0.282373680     0.279581910 
H32 H    -0.523389420     0.241538650    -0.027042220 
H33 H    -0.614220070     0.046537810    -0.469975280 
H34 H    -0.490353380    -0.382211340    -0.667199720 
H35 H    -0.400145000    -0.188459420    -0.227090570 
H36 H    -0.652724440    -0.507266190    -1.195824750 
H37 H    -0.590624070    -0.519200150    -1.192166440 
H38 H    -0.570725750    -0.482504750    -0.834993200 

#END
data_-148.751_g26a_fchk_15_11360_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 21.4313
_cell_length_b 4.5699
_cell_length_c 45.9936
_cell_angle_alpha 90.0
_cell_angle_beta 85.4876
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.148018240     0.938291290     0.119119290 
C2 C     0.186486310     0.777500820     0.140768120 
C3 C     0.219498470     0.984477460     0.160760520 
C4 C     0.258111270     0.825791540     0.182501960 
C5 C     0.291150440     1.032636880     0.202479850 
C6 C     0.329785180     0.873466620     0.224183090 
C7 C     0.362941220     1.079802600     0.244164560 
C8 C     0.401639980     0.919943190     0.265795080 
C9 C     0.434991270     1.125594090     0.285768500 
C10 C     0.473824260     0.964832980     0.307282980 
C11 C     0.507439910     1.169770550     0.327220840 
C12 C     0.546510440     1.007999180     0.348571100 
C13 C     0.580213570     1.212711450     0.368470360 
C14 C     0.619080650     1.046054540     0.389579440 
C15 C     0.621071300     1.358903580     0.433048360 
C16 C     0.641584210     1.702982210     0.473800980 
C17 C     0.687664600     1.880842690     0.484761380 
C18 C     0.675505010     2.039584860     0.510188870 
C19 C     0.616592800     2.025380860     0.525486810 
C20 C     0.570539440     1.849507800     0.514705360 
C21 C     0.582756780     1.689098940     0.489073850 
C22 C     0.550976370     2.170832130     0.567258100 
N1 N     0.651923100     1.235602820     0.408702400 
N2 N     0.657953390     1.547861800     0.447830140 
O1 O     0.566590480     1.301562750     0.440684390 
O2 O     0.609074180     2.189676560     0.550358700 
H1 H     0.125056180     0.785499660     0.105104850 
H2 H     0.111619870     1.073048910     0.130503320 
H3 H     0.177640810     1.083305170     0.105026320 
H4 H     0.221500890     0.638661910     0.128831720 
H5 H     0.156010440     0.629116570     0.154154380 
H6 H     0.250020660     1.133119170     0.147384920 
H7 H     0.184487490     1.123559870     0.172717530 
H8 H     0.293076860     0.686660030     0.170526890 
H9 H     0.227560480     0.677247510     0.195867700 
H10 H     0.321693390     1.181267120     0.189120530 
H11 H     0.256203990     1.171663020     0.214477890 
H12 H     0.364683640     0.734269570     0.212171820 
H13 H     0.299229920     0.724925840     0.237545810 
H14 H     0.393464820     1.228531020     0.230806540 
H15 H     0.328068530     1.218766280     0.256218730 
H16 H     0.436430930     0.780675010     0.253720680 
H17 H     0.371100090     0.771415500     0.279165780 
H18 H     0.465460540     1.274477850     0.272401090 
H19 H     0.400238610     1.264428430     0.297914580 
H20 H     0.508459860     0.825509460     0.295111110 
H21 H     0.443337930     0.816353510     0.320682270 
H22 H     0.537802260     1.318914060     0.313833150 
H23 H     0.472882760     1.308231020     0.339522580 
H24 H     0.580955070     0.868810880     0.336238100 
H25 H     0.516115870     0.859498430     0.362002610 
H26 H     0.610774190     1.362350340     0.355260270 
H27 H     0.546095890     1.348001170     0.381309460 
H28 H     0.653792070     0.907355560     0.377531670 
H29 H     0.588569670     0.903981580     0.403455410 
H30 H     0.696655460     1.289223080     0.402770720 
H31 H     0.702345630     1.578793290     0.439483460 
H32 H     0.733712390     1.894783770     0.473174100 
H33 H     0.711085830     2.176660750     0.518656480 
H34 H     0.524454280     1.833571550     0.525984310 
H35 H     0.546963210     1.553522120     0.480817090 
H36 H     0.554879220     2.315359480     0.585845490 
H37 H     0.512138580     2.244016330     0.554910300 
H38 H     0.541625170     1.947362340     0.575092170 

#END
data_-148.468_g26a_fchk_14_4608_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.6457
_cell_length_b 26.4324
_cell_length_c 31.8069
_cell_angle_alpha 90.0
_cell_angle_beta 144.8597
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.576689160     0.619510090     0.233098110 
C2 C     0.726114990     0.669269570     0.229840260 
C3 C     0.383549710     0.713453890     0.200688830 
C4 C     0.529840060     0.763412300     0.197211760 
C5 C     0.187284920     0.807584550     0.168030440 
C6 C     0.333998470     0.857492210     0.164533650 
C7 C    -0.008325330     0.901717260     0.135283290 
C8 C     0.138779480     0.951536500     0.131708600 
C9 C    -0.203443740     0.995827140     0.102315850 
C10 C    -0.056121650     1.045517510     0.098569810 
C11 C    -0.398604340     1.089857480     0.068942880 
C12 C    -0.251540220     1.139383600     0.064886740 
C13 C    -0.594232110     1.183697390     0.035155230 
C14 C    -0.440547080     1.232772390     0.031453660 
C15 C    -0.701250990     1.302060290     0.047119860 
C16 C    -1.094265780     1.374155940     0.039605090 
C17 C    -1.501690300     1.407599090    -0.009318760 
C18 C    -1.565471530     1.442903760     0.014722660 
C19 C    -1.222295870     1.445819210     0.088769090 
C20 C    -0.816995290     1.412660400     0.137687940 
C21 C    -0.751996150     1.377060310     0.113521190 
C22 C    -0.954776320     1.489211630     0.182475470 
N1 N    -0.761846430     1.275551880     0.003018120 
N2 N    -1.056480760     1.339508630     0.010585790 
O1 O    -0.360810420     1.293178660     0.112275900 
O2 O    -1.316662830     1.481908190     0.107252380 
H1 H     0.826718810     0.588624770     0.253978460 
H2 H     0.588173630     0.622909300     0.268746690 
H3 H     0.196008430     0.608543090     0.178884250 
H4 H     0.723798310     0.664460370     0.195323590 
H5 H     1.112147880     0.678789480     0.284462700 
H6 H    -0.002988620     0.703968500     0.146011130 
H7 H     0.385598340     0.718296580     0.235202580 
H8 H     0.527975210     0.758523250     0.162728360 
H9 H     0.916322710     0.772870590     0.251899730 
H10 H    -0.199258190     0.798133160     0.113349430 
H11 H     0.189308490     0.812517750     0.202526190 
H12 H     0.332357380     0.852519580     0.130085320 
H13 H     0.720483040     0.866943960     0.219222750 
H14 H    -0.394918250     0.892260080     0.080614440 
H15 H    -0.006295760     0.906768430     0.169767320 
H16 H     0.137429170     0.946421780     0.097308670 
H17 H     0.525214200     0.961006900     0.186389530 
H18 H    -0.590062860     0.986333380     0.047678090 
H19 H    -0.201363830     1.001071320     0.136783580 
H20 H    -0.057142600     1.040187500     0.064229870 
H21 H     0.330138940     1.055054130     0.153222790 
H22 H    -0.785219020     1.080288950     0.014368240 
H23 H    -0.396192890     1.095425820     0.103403030 
H24 H    -0.252604050     1.133723080     0.030563820 
H25 H     0.134497920     1.149007380     0.119483850 
H26 H    -0.981638690     1.174486940    -0.019478100 
H27 H    -0.587098250     1.190296210     0.069969090 
H28 H    -0.442244750     1.227667280    -0.002888770 
H29 H    -0.061105940     1.243039800     0.086081670 
H30 H    -1.048960080     1.283369800    -0.050661960 
H31 H    -1.320864490     1.343397560    -0.043326950 
H32 H    -1.772368010     1.405896030    -0.067061040 
H33 H    -1.879701140     1.468735820    -0.023031510 
H34 H    -0.544608420     1.413867610     0.195329540 
H35 H    -0.438029570     1.351478530     0.151574510 
H36 H    -1.099641630     1.519292390     0.185133470 
H37 H    -0.902555170     1.454912120     0.207579590 
H38 H    -0.593496460     1.500845380     0.212522640 

#END
data_-148.394_g26a_fchk_33_2802_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 9.0323
_cell_length_b 52.2847
_cell_length_c 4.7314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.217016810     0.621353720    -0.032273200 
C2 C     0.122689720     0.602341510    -0.199520750 
C3 C     0.062968610     0.580420350    -0.017892950 
C4 C    -0.031546850     0.561292580    -0.183215780 
C5 C    -0.091194070     0.539367220    -0.001749890 
C6 C    -0.185554350     0.520249610    -0.167582980 
C7 C    -0.245193520     0.498285400     0.013298290 
C8 C    -0.339226720     0.479175000    -0.153308450 
C9 C    -0.398772140     0.457147570     0.026739010 
C10 C    -0.492249200     0.438033220    -0.140946490 
C11 C    -0.551532740     0.415924360     0.038150610 
C12 C    -0.644174160     0.396781920    -0.130856650 
C13 C    -0.703242350     0.374653980     0.047911510 
C14 C    -0.795246260     0.355736140    -0.125712210 
C15 C    -0.837674010     0.309669710    -0.056133490 
C16 C    -0.908866700     0.265008270     0.084444810 
C17 C    -0.995075530     0.250992670     0.276426330 
C18 C    -1.003447830     0.224610250     0.260759570 
C19 C    -0.925578400     0.211382720     0.051469190 
C20 C    -0.839883000     0.225181120    -0.140318540 
C21 C    -0.831245840     0.251789860    -0.124615760 
C22 C    -0.864959280     0.171242600    -0.157855960 
N1 N    -0.852333830     0.334402720     0.038916860 
N2 N    -0.906061700     0.291808530     0.116036070 
O1 O    -0.769011070     0.304373820    -0.270578860 
O2 O    -0.940676260     0.185363950     0.053151660 
H1 H     0.258357840     0.636766310    -0.166992440 
H2 H     0.153009060     0.630077320     0.138825860 
H3 H     0.312761890     0.611871020     0.063165860 
H4 H     0.188212120     0.594382360    -0.373658140 
H5 H     0.029553900     0.612417880    -0.297969900 
H6 H     0.156100900     0.570318930     0.080764190 
H7 H    -0.002630150     0.588368280     0.156488520 
H8 H     0.034108220     0.553368420    -0.357617280 
H9 H    -0.124640460     0.571406600    -0.281763400 
H10 H     0.001871460     0.529253040     0.096891910 
H11 H    -0.156956310     0.547278650     0.172555760 
H12 H    -0.119770220     0.512363370    -0.342016140 
H13 H    -0.278635830     0.530366230    -0.266126130 
H14 H    -0.152137190     0.488176870     0.112051600 
H15 H    -0.311186310     0.506152300     0.187527430 
H16 H    -0.273208660     0.471350500    -0.327765270 
H17 H    -0.432336440     0.489283060    -0.251846430 
H18 H    -0.305689350     0.447060640     0.125680580 
H19 H    -0.465145090     0.464942280     0.200818170 
H20 H    -0.425859500     0.430299080    -0.315398630 
H21 H    -0.585460780     0.448111180    -0.239463290 
H22 H    -0.458393000     0.405881160     0.137417810 
H23 H    -0.618566610     0.423602140     0.211837720 
H24 H    -0.577114270     0.389168170    -0.305150070 
H25 H    -0.737488850     0.406814900    -0.229450060 
H26 H    -0.610796070     0.364473160     0.147620240 
H27 H    -0.772843980     0.382047880     0.218701140 
H28 H    -0.729354130     0.347926050    -0.299535610 
H29 H    -0.890223890     0.365584940    -0.217754950 
H30 H    -0.910837320     0.338221760     0.214896580 
H31 H    -0.959764050     0.298399420     0.287869020 
H32 H    -1.056413010     0.260932470     0.440440600 
H33 H    -1.069892190     0.213795190     0.409064290 
H34 H    -0.778286970     0.215557530    -0.304926360 
H35 H    -0.764873500     0.262374700    -0.273572020 
H36 H    -0.890943280     0.151228120    -0.118206130 
H37 H    -0.902576250     0.176451230    -0.370469820 
H38 H    -0.744882160     0.174019530    -0.144189170 

#END
data_-148.335_g26a_fchk_2_1789_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.6854
_cell_length_b 8.0281
_cell_length_c 35.7569
_cell_angle_alpha 110.2392
_cell_angle_beta 114.0385
_cell_angle_gamma 81.433
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.022657330     0.267491240     0.724214310 
C2 C     0.321676360     0.310770070     0.764998660 
C3 C     0.261044240     0.418304190     0.805750290 
C4 C     0.558696670     0.462298700     0.846733320 
C5 C     0.498191910     0.569890320     0.887474700 
C6 C     0.796211710     0.613880340     0.928410800 
C7 C     0.736426130     0.721663850     0.969194930 
C8 C     1.034971920     0.765751270     1.010052610 
C9 C     0.976185870     0.873904490     1.050891810 
C10 C     1.275449850     0.918271390     1.091638650 
C11 C     1.217734270     1.026995480     1.132522720 
C12 C     1.517860880     1.071936180     1.173133600 
C13 C     1.460399470     1.180879350     1.213997750 
C14 C     1.763873240     1.224528010     1.254163050 
C15 C     1.601462620     1.251867790     1.313406060 
C16 C     1.444173950     1.336284780     1.376911930 
C17 C     1.410109640     1.481161610     1.410715330 
C18 C     1.307308340     1.458067830     1.439777620 
C19 C     1.234865790     1.288586610     1.435874940 
C20 C     1.267643040     1.144034360     1.402328310 
C21 C     1.371547740     1.167121250     1.373013590 
C22 C     1.071520340     1.108845830     1.464352340 
N1 N     1.716253550     1.328898250     1.293522070 
N2 N     1.551270440     1.371458540     1.348853640 
O1 O     1.553527670     1.092699420     1.300769350 
O2 O     1.135470320     1.279125220     1.466113330 
H1 H     0.072705130     0.190968510     0.695627770 
H2 H    -0.137066010     0.189746560     0.726891640 
H3 H    -0.101285180     0.388847300     0.718641490 
H4 H     0.480611580     0.384666990     0.761036910 
H5 H     0.444700630     0.187244530     0.769293420 
H6 H     0.137907180     0.541991810     0.801489680 
H7 H     0.101958020     0.344445840     0.809742940 
H8 H     0.717678090     0.536048470     0.842699560 
H9 H     0.681652710     0.338567840     0.850971450 
H10 H     0.375161420     0.693612220     0.883242960 
H11 H     0.339423950     0.496144120     0.891544360 
H12 H     0.954999690     0.687480830     0.924303980 
H13 H     0.919145710     0.490141770     0.932643350 
H14 H     0.613269980     0.845354900     0.964958730 
H15 H     0.578051060     0.648036620     0.973364580 
H16 H     1.193401230     0.839125090     1.005822490 
H17 H     1.157950990     0.642046800     1.014301470 
H18 H     0.852745470     0.997497370     1.046624740 
H19 H     0.818478000     0.800464530     1.055224620 
H20 H     1.433295630     0.991334080     1.087222780 
H21 H     1.398586050     0.794685510     1.095945370 
H22 H     1.093771400     1.150387600     1.128192070 
H23 H     1.061285590     0.953820370     1.137127230 
H24 H     1.674660930     1.144701720     1.168437940 
H25 H     1.641307000     0.948549170     1.177516450 
H26 H     1.336963500     1.304701640     1.209978240 
H27 H     1.309585500     1.107618840     1.219430420 
H28 H     1.921702970     1.297787390     1.249944180 
H29 H     1.882580960     1.101716900     1.259153380 
H30 H     1.750520880     1.460746010     1.304393960 
H31 H     1.598947270     1.499939470     1.356288440 
H32 H     1.465132040     1.613866970     1.414263520 
H33 H     1.281259020     1.569868220     1.465882380 
H34 H     1.213529120     1.011127190     1.398353930 
H35 H     1.396330390     1.054890270     1.347107150 
H36 H     0.998171700     1.130814310     1.490942630 
H37 H     0.883125380     1.043475590     1.433855730 
H38 H     1.279871830     1.023073180     1.468515440 

#END
data_-147.979_g26a_fchk_2_2216_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.6446
_cell_length_b 22.3168
_cell_length_c 15.9719
_cell_angle_alpha 85.4931
_cell_angle_beta 130.6011
_cell_angle_gamma 112.8989
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.631121900     0.726075810     0.115564270 
C2 C     0.807966080     0.778003210     0.073049600 
C3 C     0.521660980     0.811143870    -0.006035600 
C4 C     0.695729890     0.863177030    -0.049044820 
C5 C     0.409474750     0.896288330    -0.128162470 
C6 C     0.583982050     0.948254450    -0.171155490 
C7 C     0.298086250     0.981385040    -0.250409940 
C8 C     0.473070960     1.033211660    -0.293439230 
C9 C     0.187516460     1.066335990    -0.372945110 
C10 C     0.362924840     1.117928860    -0.416111920 
C11 C     0.077476310     1.150980360    -0.495988860 
C12 C     0.253018430     1.202226990    -0.539465020 
C13 C    -0.032497150     1.235193820    -0.619470500 
C14 C     0.149054220     1.286124520    -0.662030380 
C15 C    -0.111681960     1.370543590    -0.697095050 
C16 C    -0.470770410     1.445819610    -0.768244780 
C17 C    -0.802225910     1.456032930    -0.867142560 
C18 C    -0.889513050     1.507495060    -0.861760540 
C19 C    -0.647013890     1.550476310    -0.756794300 
C20 C    -0.317603170     1.540572290    -0.658144200 
C21 C    -0.229003530     1.488719520    -0.663459830 
C22 C    -0.515469280     1.645037360    -0.655623590 
N1 N    -0.117300620     1.318068800    -0.738803070 
N2 N    -0.402475250     1.392396100    -0.781389700 
O1 O     0.132332520     1.395232210    -0.595204140 
O2 O    -0.757060010     1.599806540    -0.760127930 
H1 H     0.841235900     0.703154650     0.171651180 
H2 H     0.590990010     0.749096700     0.163184820 
H3 H     0.321030570     0.685747690     0.044392150 
H4 H     0.855142700     0.754038990     0.028220550 
H5 H     1.122292120     0.816965270     0.145988940 
H6 H     0.206918280     0.772190690    -0.079084640 
H7 H     0.474230240     0.835143630     0.038760430 
H8 H     0.743283040     0.839142850    -0.093759800 
H9 H     1.010389680     0.902106470     0.024039590 
H10 H     0.094745970     0.857370330    -0.201243070 
H11 H     0.362082270     0.920376780    -0.083463490 
H12 H     0.631676010     0.924147830    -0.215753050 
H13 H     0.898639430     0.987177380    -0.098064310 
H14 H    -0.016713560     0.942467470    -0.323469300 
H15 H     0.250765480     1.005595380    -0.205820600 
H16 H     0.520930060     1.008976050    -0.337853770 
H17 H     0.787697550     1.072150580    -0.220374760 
H18 H    -0.127371280     1.027395610    -0.445932010 
H19 H     0.140349730     1.090747180    -0.328530660 
H20 H     0.410941090     1.093490850    -0.460268910 
H21 H     0.677443310     1.156925090    -0.343140690 
H22 H    -0.237531510     1.111992950    -0.568827830 
H23 H     0.030789580     1.175739010    -0.451838070 
H24 H     0.300831090     1.177438990    -0.583337440 
H25 H     0.567429930     1.241288230    -0.466643350 
H26 H    -0.348075500     1.196566020    -0.692682150 
H27 H    -0.074497060     1.261252100    -0.575592110 
H28 H     0.196478780     1.261931510    -0.706374700 
H29 H     0.456984190     1.325920230    -0.589733980 
H30 H    -0.324886190     1.298287730    -0.823207570 
H31 H    -0.588180830     1.368164120    -0.862805670 
H32 H    -0.994243330     1.423138750    -0.949473660 
H33 H    -1.145109750     1.515402320    -0.938098110 
H34 H    -0.123873010     1.572871860    -0.575546470 
H35 H     0.025984680     1.481247310    -0.586899350 
H36 H    -0.652405030     1.679870880    -0.677109930 
H37 H    -0.535184950     1.618889620    -0.597270100 
H38 H    -0.181890710     1.673120230    -0.613698790 

#END
data_-147.875_g26a_fchk_15_20996_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 44.3488
_cell_length_b 4.1242
_cell_length_c 40.9911
_cell_angle_alpha 90.0
_cell_angle_beta 143.8746
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.097936830     0.927395070     0.666985910 
C2 C     0.151632860     1.026213460     0.724903800 
C3 C     0.154724220     1.104917510     0.764045540 
C4 C     0.208284650     1.204059600     0.822098450 
C5 C     0.211383010     1.282947260     0.861229520 
C6 C     0.264968540     1.382340620     0.919241820 
C7 C     0.268163490     1.461767450     0.958440760 
C8 C     0.321771780     1.561743810     1.016374950 
C9 C     0.325091070     1.642124920     1.055656430 
C10 C     0.378717440     1.743182690     1.113470140 
C11 C     0.382149940     1.824950180     1.152812080 
C12 C     0.435778520     1.927762620     1.210462500 
C13 C     0.439217220     2.010091930     1.249777070 
C14 C     0.493161760     2.112879360     1.307116140 
C15 C     0.533288180     2.044450380     1.396052190 
C16 C     0.561748820     2.033648840     1.479437030 
C17 C     0.545736830     2.110696410     1.497178830 
C18 C     0.574528690     2.022266010     1.549221910 
C19 C     0.620406900     1.853054360     1.585256080 
C20 C     0.636521570     1.775180250     1.567884800 
C21 C     0.607539110     1.864454180     1.515420650 
C22 C     0.694400450     1.622713300     1.674797210 
N1 N     0.497497740     2.194155500     1.345332770 
N2 N     0.530238270     2.133853130     1.425888260 
O1 O     0.564755290     1.854564510     1.412625240 
O2 O     0.646164900     1.776597160     1.635754940 
H1 H     0.096806070     0.873084960     0.639904040 
H2 H     0.084851060     0.711512900     0.668639290 
H3 H     0.070310950     1.121142870     0.647561100 
H4 H     0.164313500     1.237690290     0.721936200 
H5 H     0.178711650     0.831157040     0.742909460 
H6 H     0.127634640     1.300151210     0.746065550 
H7 H     0.142035880     0.893378080     0.767041290 
H8 H     0.220948820     1.415454210     0.819056480 
H9 H     0.235344070     1.008728530     0.840047100 
H10 H     0.184317820     1.478216470     0.843286010 
H11 H     0.198762440     1.071555000     0.864322640 
H12 H     0.277585460     1.593557400     0.916114610 
H13 H     0.292023150     1.187000040     0.937183440 
H14 H     0.241082610     1.656940110     0.940488800 
H15 H     0.255630390     1.250508020     0.961661220 
H16 H     0.334302940     1.772695500     1.013100950 
H17 H     0.348837100     1.366445160     1.034335620 
H18 H     0.297967210     1.837076710     1.037662470 
H19 H     0.312704510     1.431079590     1.059086170 
H20 H     0.391111620     1.953775240     1.109971300 
H21 H     0.405820650     1.548027090     1.131498440 
H22 H     0.354945420     2.019474520     1.134734050 
H23 H     0.370029830     1.614231000     1.156599350 
H24 H     0.447932040     2.138071940     1.206607240 
H25 H     0.462941380     1.732916570     1.228581260 
H26 H     0.412191900     2.204869390     1.232063130 
H27 H     0.428205720     1.799390090     1.254784230 
H28 H     0.505630790     2.323352100     1.303838430 
H29 H     0.519962350     1.915763830     1.325728010 
H30 H     0.471699250     2.347135880     1.332525300 
H31 H     0.502640940     2.292633190     1.408017190 
H32 H     0.510188940     2.241958730     1.469758130 
H33 H     0.562186470     2.081958600     1.562923620 
H34 H     0.671803370     1.644340700     1.594698800 
H35 H     0.620156950     1.803471660     1.502170480 
H36 H     0.708226940     1.585142900     1.711646530 
H37 H     0.691110570     1.387775930     1.659594830 
H38 H     0.721666520     1.775062390     1.685294950 

#END
data_-147.800_g26a_fchk_61_12843_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,1/2-y,1/2+z
8 1/2+x,+y,1/2-z
_cell_length_a 4.7144
_cell_length_b 14.9386
_cell_length_c 64.8519
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.270269390     0.600153300     0.617835950 
C2 C     0.091000280     0.618877590     0.598652840 
C3 C     0.253887300     0.604838390     0.578492280 
C4 C     0.076431370     0.623396580     0.559207920 
C5 C     0.239247340     0.609421300     0.539051030 
C6 C     0.061447080     0.628105600     0.519787880 
C7 C     0.223849540     0.614292040     0.499608380 
C8 C     0.045622860     0.633221820     0.480378930 
C9 C     0.207522390     0.619688360     0.460168320 
C10 C     0.028817620     0.639028660     0.440984180 
C11 C     0.190294730     0.625898100     0.420743710 
C12 C     0.011187740     0.645849590     0.401611370 
C13 C     0.172599970     0.632895990     0.381376240 
C14 C    -0.010575760     0.653420180     0.362465760 
C15 C     0.330788620     0.704840430     0.336313720 
C16 C     0.645293110     0.735885100     0.305881100 
C17 C     0.739394390     0.700050520     0.287090310 
C18 C     0.941408960     0.743722620     0.275333830 
C19 C     1.055820490     0.824984180     0.282037500 
C20 C     0.963025550     0.861076730     0.300675240 
C21 C     0.759448500     0.817062130     0.312556340 
C22 C     1.362153790     0.948205840     0.274950310 
N1 N     0.138141730     0.642041820     0.342983760 
N2 N     0.439794490     0.686915510     0.316922530 
O1 O     0.398559860     0.769161870     0.346833310 
O2 O     1.254083470     0.863007800     0.269387590 
H1 H     0.149042100     0.610808640     0.631994780 
H2 H     0.346645750     0.530975750     0.617935750 
H3 H     0.456162540     0.643964430     0.618377380 
H4 H     0.011369020     0.687800010     0.599196490 
H5 H    -0.096806330     0.575585070     0.598724400 
H6 H     0.441933990     0.648142710     0.578402650 
H7 H     0.333696800     0.535866110     0.577934070 
H8 H    -0.003406330     0.692353580     0.559786510 
H9 H    -0.111517410     0.580069760     0.559308450 
H10 H     0.427256040     0.652722040     0.538947790 
H11 H     0.318942770     0.540455400     0.538456140 
H12 H    -0.018402830     0.697055180     0.520401940 
H13 H    -0.126493970     0.584778680     0.519891040 
H14 H     0.411934980     0.657561750     0.499507680 
H15 H     0.303394040     0.545318020     0.498966300 
H16 H    -0.034202760     0.702165310     0.481052480 
H17 H    -0.142316420     0.589897270     0.480474170 
H18 H     0.395743150     0.662902240     0.460083220 
H19 H     0.286794180     0.550702410     0.459449360 
H20 H    -0.050913710     0.707969900     0.441746840 
H21 H    -0.159114960     0.595710870     0.441051320 
H22 H     0.378743550     0.669008870     0.420690720 
H23 H     0.268956420     0.556895950     0.419897480 
H24 H    -0.068139120     0.714840220     0.402505440 
H25 H    -0.176789260     0.602579500     0.401640800 
H26 H     0.361193900     0.675887170     0.381175580 
H27 H     0.247273890     0.563734010     0.380156430 
H28 H    -0.089983730     0.722187500     0.363136220 
H29 H    -0.193730420     0.608769400     0.362212260 
H30 H     0.084208800     0.590184270     0.333892630 
H31 H     0.368033520     0.631802390     0.309645400 
H32 H     0.652899880     0.636997760     0.281622420 
H33 H     1.014166220     0.716025920     0.260840500 
H34 H     1.046977940     0.923833020     0.306314430 
H35 H     0.688263700     0.845287340     0.326955230 
H36 H     1.515423020     0.965811410     0.263065570 
H37 H     1.194226770     0.998924730     0.275374050 
H38 H     1.468899700     0.946230640     0.289959390 

#END
data_-147.639_g26a_fchk_2_9392_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.662
_cell_length_b 10.0081
_cell_length_c 31.4186
_cell_angle_alpha 90.6463
_cell_angle_beta 92.8384
_cell_angle_gamma 127.5353
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.876700700     0.203571460     0.236188430 
C2 C     1.108499840     0.231940400     0.276568770 
C3 C     0.922914570     0.209625420     0.317615170 
C4 C     1.152565620     0.237734460     0.358197700 
C5 C     0.967216500     0.215537710     0.399238460 
C6 C     1.197524660     0.243874200     0.439781220 
C7 C     1.013013810     0.221967200     0.480873770 
C8 C     1.244368530     0.250753870     0.521354400 
C9 C     1.061099420     0.229356040     0.562519860 
C10 C     1.293981900     0.258902530     0.602919170 
C11 C     1.112200850     0.238247690     0.644158300 
C12 C     1.347065330     0.268934440     0.684468540 
C13 C     1.165812630     0.248610870     0.725701750 
C14 C     1.406028650     0.280256890     0.765575000 
C15 C     1.213718790     0.384185160     0.819989930 
C16 C     0.998640520     0.449674310     0.882893150 
C17 C     0.825556050     0.385173700     0.920855720 
C18 C     0.743363970     0.471341140     0.945641110 
C19 C     0.832474420     0.625436260     0.933169870 
C20 C     1.005012870     0.690455060     0.895526370 
C21 C     1.087807790     0.603609210     0.870479500 
C22 C     0.857231980     0.864984770     0.950522790 
N1 N     1.240885580     0.262531430     0.805312920 
N2 N     1.071247470     0.353541870     0.859488030 
O1 O     1.304252050     0.505522810     0.799417600 
O2 O     0.740179720     0.700989880     0.959697890 
H1 H     1.015753960     0.220520350     0.207392420 
H2 H     0.619779220     0.075841270     0.233916770 
H3 H     0.812385880     0.292055110     0.236091120 
H4 H     1.367603270     0.359121990     0.277507920 
H5 H     1.175758400     0.144405960     0.275416920 
H6 H     0.855463110     0.297188810     0.318804380 
H7 H     0.663513390     0.082354910     0.316704460 
H8 H     1.411944400     0.364976480     0.359065940 
H9 H     1.219857830     0.150132510     0.356985230 
H10 H     0.899798530     0.303092340     0.400455750 
H11 H     0.707959360     0.088273440     0.398403830 
H12 H     1.456879420     0.371103850     0.440575960 
H13 H     1.264807950     0.156272470     0.438563270 
H14 H     0.945438360     0.309466070     0.482084810 
H15 H     0.753902830     0.094680100     0.480136560 
H16 H     1.503656500     0.377976230     0.522026090 
H17 H     1.311659990     0.163156210     0.520152900 
H18 H     0.993238240     0.316755090     0.563696920 
H19 H     0.802255960     0.102033320     0.561941460 
H20 H     1.553131980     0.386128750     0.603406610 
H21 H     1.361297580     0.171316200     0.601775910 
H22 H     1.043831530     0.325461830     0.645265820 
H23 H     0.853963200     0.110867570     0.643843100 
H24 H     1.605894530     0.396274150     0.684685410 
H25 H     1.414567400     0.181434330     0.683404580 
H26 H     1.097054030     0.335596240     0.727110730 
H27 H     0.911182790     0.120780090     0.726158600 
H28 H     1.664447890     0.407160980     0.766247530 
H29 H     1.465340780     0.190297620     0.765050230 
H30 H     1.167554300     0.164765100     0.823158470 
H31 H     1.006241910     0.249237670     0.873553470 
H32 H     0.754313150     0.265663640     0.931078790 
H33 H     0.609541770     0.421485950     0.974920140 
H34 H     1.077920040     0.809355570     0.884948100 
H35 H     1.221472200     0.654490710     0.841403210 
H36 H     0.755259390     0.900955360     0.974996520 
H37 H     1.153805210     0.955938830     0.951966580 
H38 H     0.746149410     0.865900250     0.919045900 

#END
data_-147.259_g26a_fchk_5_14680_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,-z
_cell_length_a 78.7983
_cell_length_b 4.5752
_cell_length_c 31.894
_cell_angle_alpha 90.0
_cell_angle_beta 11.3423
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.090629320     0.294572470     0.127226330 
C2 C     0.108348350     0.104590310     0.045785230 
C3 C     0.099398190     0.271514130     0.026100170 
C4 C     0.116994240     0.083408880    -0.055253260 
C5 C     0.108001730     0.250161950    -0.074829540 
C6 C     0.125542830     0.061540170    -0.156008220 
C7 C     0.116488170     0.227654680    -0.175481670 
C8 C     0.133885850     0.038242150    -0.256248360 
C9 C     0.124687880     0.203438740    -0.275442210 
C10 C     0.141811520     0.012910670    -0.355460700 
C11 C     0.132356210     0.177052320    -0.374099460 
C12 C     0.149027150    -0.014864100    -0.452929030 
C13 C     0.139435120     0.148920850    -0.471229660 
C14 C     0.156218890    -0.047546060    -0.549876420 
C15 C     0.210484650     0.288140650    -0.735548150 
C16 C     0.240289770     0.623457780    -0.868396370 
C17 C     0.203046320     0.746708730    -0.814164480 
C18 C     0.248628270     0.940510140    -0.949442840 
C19 C     0.333221830     1.017479360    -1.143917650 
C20 C     0.370609000     0.896280320    -1.198736920 
C21 C     0.324730990     0.700599320    -1.062517970 
C22 C     0.460220910     1.283088910    -1.469704520 
N1 N     0.147137460     0.102400540    -0.567862060 
N2 N     0.189472170     0.427228560    -0.721829000 
O1 O     0.278636430     0.321344530    -0.882029850 
O2 O     0.372983170     1.210138580    -1.266703010 
H1 H     0.097336120     0.169975790     0.140045080 
H2 H     0.135490320     0.479000870     0.020058580 
H3 H     0.025178640     0.384171740     0.284916070 
H4 H     0.064045470    -0.082262370     0.152928870 
H5 H     0.173517160     0.012437850    -0.109980840 
H6 H     0.034186480     0.363857790     0.181932060 
H7 H     0.143717750     0.458608010    -0.081113070 
H8 H     0.072686480    -0.103683630     0.051973240 
H9 H     0.182206260    -0.008810210    -0.211063730 
H10 H     0.042802440     0.342477960     0.080944900 
H11 H     0.152343370     0.437143870    -0.182170300 
H12 H     0.081234050    -0.125549900    -0.048706990 
H13 H     0.190753040    -0.030671920    -0.311808930 
H14 H     0.051301650     0.320090880    -0.019732650 
H15 H     0.160872290     0.414516560    -0.283020180 
H16 H     0.089563070    -0.148815150    -0.148792490 
H17 H     0.199095840    -0.053972540    -0.412064760 
H18 H     0.059522000     0.296088970    -0.119710820 
H19 H     0.169144380     0.390079210    -0.383310490 
H20 H     0.097453000    -0.174058200    -0.247737820 
H21 H     0.207022080    -0.079310060    -0.511335700 
H22 H     0.067231080     0.270078670    -0.218400190 
H23 H     0.176954590     0.363180480    -0.482566380 
H24 H     0.104530770    -0.201557940    -0.344608570 
H25 H     0.214215090    -0.107205400    -0.608826660 
H26 H     0.074423210     0.242274930    -0.316102200 
H27 H     0.184888240     0.331799770    -0.582502200 
H28 H     0.111976070    -0.233937150    -0.442618270 
H29 H     0.221855660    -0.133305850    -0.707425540 
H30 H     0.091245860     0.081634970    -0.448245590 
H31 H     0.131247090     0.383153590    -0.593333740 
H32 H     0.137379890     0.689648570    -0.663709140 
H33 H     0.219900820     1.035436320    -0.907641950 
H34 H     0.435900730     0.951156240    -1.347896650 
H35 H     0.353925560     0.607595400    -1.105607370 
H36 H     0.479254910     1.435859790    -1.540295760 
H37 H     0.467396870     1.388477800    -1.456419830 
H38 H     0.502018040     1.090016290    -1.572238760 

#END
data_-147.215_g26a_fchk_14_13599_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.5267
_cell_length_b 9.4837
_cell_length_c 51.2504
_cell_angle_alpha 90.0
_cell_angle_beta 85.7606
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -0.001184360     0.376610440     0.399180110 
C2 C     0.176731350     0.459997930     0.418199430 
C3 C    -0.017421030     0.527586200     0.440519030 
C4 C     0.158439890     0.611256210     0.459657060 
C5 C    -0.035593590     0.678909520     0.481963360 
C6 C     0.140723100     0.762641970     0.501061970 
C7 C    -0.052800250     0.830562020     0.523370520 
C8 C     0.124147840     0.914460760     0.542398380 
C9 C    -0.068702220     0.982827610     0.564700540 
C10 C     0.109051850     1.067061510     0.583619910 
C11 C    -0.083123130     1.136036260     0.605894430 
C12 C     0.095500670     1.220848370     0.624666400 
C13 C    -0.096483960     1.290029840     0.646908090 
C14 C     0.086880590     1.374488780     0.665388120 
C15 C    -0.089156060     1.392002370     0.711868270 
C16 C    -0.331003290     1.440396310     0.756665770 
C17 C    -0.545599820     1.524211160     0.770378250 
C18 C    -0.604977320     1.509718330     0.797112350 
C19 C    -0.450968080     1.410406220     0.811006810 
C20 C    -0.237770890     1.326589580     0.797509420 
C21 C    -0.177493230     1.341176430     0.770548280 
C22 C    -0.369742810     1.306528320     0.852235520 
N1 N    -0.090399270     1.442066150     0.686687070 
N2 N    -0.283635990     1.462347720     0.729479380 
O1 O     0.072232190     1.295728730     0.717750490 
O2 O    -0.524884430     1.403955540     0.837332530 
H1 H     0.142675310     0.329715400     0.383437760 
H2 H    -0.125630640     0.291147910     0.409250550 
H3 H    -0.160829770     0.444473830     0.390196840 
H4 H     0.304917170     0.542517890     0.407510290 
H5 H     0.339241060     0.390406590     0.426464270 
H6 H    -0.180184300     0.597276350     0.432269600 
H7 H    -0.145835660     0.445067340     0.451230000 
H8 H     0.286891710     0.693677640     0.448927010 
H9 H     0.321098110     0.541502940     0.467897590 
H10 H    -0.198333000     0.748642920     0.473729330 
H11 H    -0.163921200     0.596527280     0.492713380 
H12 H     0.269214920     0.844921240     0.490295360 
H13 H     0.303375790     0.692879300     0.509299610 
H14 H    -0.215636540     0.900250720     0.515137980 
H15 H    -0.181022640     0.748333940     0.534173360 
H16 H     0.252665350     0.996513060     0.531569130 
H17 H     0.286793050     0.844730730     0.550644100 
H18 H    -0.231699880     1.052394790     0.556458960 
H19 H    -0.196724970     0.900850610     0.575589470 
H20 H     0.237553440     1.148786690     0.572695250 
H21 H     0.271668990     0.997445020     0.591894460 
H22 H    -0.246393480     1.205365230     0.597632840 
H23 H    -0.210651130     1.054468710     0.616926650 
H24 H     0.223743490     1.302177980     0.613590560 
H25 H     0.258160670     1.151431000     0.632974060 
H26 H    -0.260118490     1.359760520     0.638821380 
H27 H    -0.220393880     1.209367710     0.658396870 
H28 H     0.214850460     1.456351070     0.654586200 
H29 H     0.243430460     1.304647860     0.674172850 
H30 H    -0.227975230     1.520625590     0.682364620 
H31 H    -0.406242320     1.540214650     0.722393870 
H32 H    -0.667630340     1.601913240     0.759919850 
H33 H    -0.770433660     1.574482050     0.807695040 
H34 H    -0.114630990     1.248688840     0.807647130 
H35 H    -0.012496090     1.276031000     0.760197310 
H36 H    -0.460340760     1.318670760     0.872385970 
H37 H    -0.403724220     1.197741260     0.845880280 
H38 H    -0.131702730     1.329252620     0.851076750 

#END
data_-146.819_g26a_fchk_18_25176_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 1/2-x,1/2+y,-z
4 -x,-y,+z
_cell_length_a 52.3494
_cell_length_b 9.5308
_cell_length_c 4.4881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.907628110     0.928518320    -0.048629180 
C2 C     0.928169420     1.003909520     0.133419940 
C3 C     0.948817730     1.071960490    -0.060059800 
C4 C     0.969460060     1.147661860     0.119927480 
C5 C     0.990113500     1.215631630    -0.073409720 
C6 C     1.010749040     1.291151100     0.107072930 
C7 C     1.031445560     1.359069090    -0.085698280 
C8 C     1.052078610     1.434226270     0.095500490 
C9 C     1.072844040     1.501992890    -0.096495290 
C10 C     1.093487170     1.576550430     0.085658790 
C11 C     1.114339890     1.643998720    -0.105507650 
C12 C     1.135017960     1.717675760     0.077748660 
C13 C     1.155891380     1.784897410    -0.113157810 
C14 C     1.176378780     1.857653790     0.074936820 
C15 C     1.220520450     1.863056620    -0.113341340 
C16 C     1.263655540     1.910115080    -0.337095880 
C17 C     1.276403990     1.995945630    -0.542980330 
C18 C     1.301663100     1.971670830    -0.617530460 
C19 C     1.315008850     1.860355300    -0.487630420 
C20 C     1.302481860     1.774763840    -0.282509150 
C21 C     1.276999260     1.799061600    -0.207295770 
C22 C     1.353922100     1.731333020    -0.453518120 
N1 N     1.196562080     1.922034580    -0.101051680 
N2 N     1.237911360     1.941875480    -0.274643470 
O1 O     1.225482410     1.751046920     0.005323880 
O2 O     1.339855340     1.844723240    -0.575433680 
H1 H     0.893166340     0.880772230     0.094886340 
H2 H     0.897881780     1.001341410    -0.199020910 
H3 H     0.915980550     0.845192060    -0.185203640 
H4 H     0.937172680     0.929484320     0.287299420 
H5 H     0.919239550     1.084601020     0.272962360 
H6 H     0.957770950     0.991286100    -0.199842580 
H7 H     0.939824050     1.146474390    -0.214182020 
H8 H     0.978430020     1.073094890     0.274078130 
H9 H     0.960493320     1.228308530     0.259597910 
H10 H     0.999079800     1.135018100    -0.213170020 
H11 H     0.981157340     1.290291510    -0.227442440 
H12 H     1.019681030     1.216462710     0.261257180 
H13 H     1.001779630     1.371786850     0.246737790 
H14 H     1.040405410     1.278472530    -0.225566090 
H15 H     1.022535130     1.433937380    -0.239629360 
H16 H     1.060948490     1.359319920     0.249703550 
H17 H     1.043117790     1.514888440     0.235159560 
H18 H     1.081780870     1.421386230    -0.236544620 
H19 H     1.064008000     1.577203180    -0.250232770 
H20 H     1.102265720     1.501300440     0.239840080 
H21 H     1.084556520     1.657308130     0.225295140 
H22 H     1.123230520     1.563364390    -0.245867820 
H23 H     1.105625650     1.719794480    -0.258763490 
H24 H     1.143673020     1.641814900     0.231691550 
H25 H     1.126133020     1.798522380     0.217449230 
H26 H     1.164918140     1.704938370    -0.253913970 
H27 H     1.147491170     1.862876810    -0.262942440 
H28 H     1.185229960     1.782912040     0.228532830 
H29 H     1.167633340     1.940524420     0.208128020 
H30 H     1.193094160     2.015188490    -0.198471000 
H31 H     1.231671110     2.032881270    -0.362643540 
H32 H     1.266356050     2.082979910    -0.646164860 
H33 H     1.311493070     2.037852360    -0.776590410 
H34 H     1.312237150     1.687779250    -0.177721580 
H35 H     1.267401170     1.732601610    -0.048379730 
H36 H     1.372890260     1.737571800    -0.552112780 
H37 H     1.355528990     1.739822990    -0.210670060 
H38 H     1.345269840     1.630070920    -0.510312230 

#END
data_-146.696_g26a_fchk_2_5783_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 10.0584
_cell_length_b 5.4492
_cell_length_c 24.9853
_cell_angle_alpha 82.9079
_cell_angle_beta 124.6042
_cell_angle_gamma 89.7075
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.390026300     0.811464160     0.276121730 
C2 C     0.275701280     0.678551550     0.217709310 
C3 C     0.362126780     0.545163100     0.193602930 
C4 C     0.248821070     0.411598260     0.135175110 
C5 C     0.335159600     0.278356890     0.111037420 
C6 C     0.221583860     0.145133320     0.052564970 
C7 C     0.307570510     0.011990790     0.028271480 
C8 C     0.193590380    -0.120566070    -0.030289910 
C9 C     0.279079480    -0.253434000    -0.054825680 
C10 C     0.164538460    -0.384899800    -0.113545420 
C11 C     0.249471230    -0.517201590    -0.138383470 
C12 C     0.134246650    -0.647082130    -0.197353800 
C13 C     0.219003920    -0.778980230    -0.222281010 
C14 C     0.101326580    -0.907003380    -0.281336450 
C15 C     0.159838120    -0.933163410    -0.363764110 
C16 C     0.239889150    -1.034652620    -0.437740350 
C17 C     0.312707020    -1.223565120    -0.448885220 
C18 C     0.325411310    -1.190322400    -0.501564720 
C19 C     0.265268420    -0.966136430    -0.544935130 
C20 C     0.192519450    -0.777725590    -0.534241140 
C21 C     0.179743230    -0.810935730    -0.481096330 
C22 C     0.256262020    -0.713195650    -0.632109580 
N1 N     0.178628280    -1.033140100    -0.306291520 
N2 N     0.232472060    -1.083599890    -0.382809490 
O1 O     0.087212640    -0.729689040    -0.393900610 
O2 O     0.283518210    -0.950805520    -0.595426350 
H1 H     0.325198040     0.905322340     0.292250530 
H2 H     0.485500550     0.680290180     0.318128130 
H3 H     0.449193310     0.951367460     0.263344150 
H4 H     0.179033770     0.812904770     0.176960140 
H5 H     0.215380420     0.543584550     0.231333470 
H6 H     0.422553140     0.680084240     0.179948950 
H7 H     0.458920050     0.410641560     0.234359590 
H8 H     0.152034040     0.546221740     0.094466200 
H9 H     0.188467350     0.276726140     0.148868520 
H10 H     0.395564080     0.413167360     0.097355980 
H11 H     0.431874860     0.143569250     0.151710740 
H12 H     0.124810850     0.279983990     0.011930760 
H13 H     0.161235210     0.010281110     0.066264170 
H14 H     0.368040460     0.146769350     0.014616190 
H15 H     0.404196630    -0.123175290     0.068846260 
H16 H     0.096858510     0.014689170    -0.070799960 
H17 H     0.133237530    -0.255467780    -0.016607860 
H18 H     0.339670230    -0.118637160    -0.068411910 
H19 H     0.375545640    -0.389219960    -0.014413610 
H20 H     0.067892080    -0.249010580    -0.153870060 
H21 H     0.104172270    -0.519980240    -0.099923180 
H22 H     0.310275270    -0.382353100    -0.151836690 
H23 H     0.345588810    -0.654041740    -0.098251240 
H24 H     0.037818590    -0.510084620    -0.237419390 
H25 H     0.073803790    -0.782331130    -0.183835720 
H26 H     0.279920610    -0.645380330    -0.235958090 
H27 H     0.313070440    -0.919650240    -0.183027280 
H28 H     0.004950240    -0.772055190    -0.321734220 
H29 H     0.044356190    -1.046104400    -0.267375180 
H30 H     0.237704580    -1.202390230    -0.282858190 
H31 H     0.289102700    -1.248141660    -0.354084510 
H32 H     0.360093680    -1.399082840    -0.415737600 
H33 H     0.381720490    -1.336059150    -0.510130330 
H34 H     0.144649760    -0.602027910    -0.566845840 
H35 H     0.123280050    -0.664673800    -0.473063330 
H36 H     0.277576610    -0.741947390    -0.669103560 
H37 H     0.131357680    -0.632268890    -0.656632550 
H38 H     0.340268840    -0.585002550    -0.600930190 

#END
data_-146.281_g26a_fchk_61_10191_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,1/2-y,1/2+z
8 1/2+x,+y,1/2-z
_cell_length_a 4.8044
_cell_length_b 14.7548
_cell_length_c 64.7489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.721769560     0.582157290     0.118037670 
C2 C     0.894771900     0.606939000     0.099023850 
C3 C     0.737951160     0.592944890     0.078693500 
C4 C     0.909206470     0.617542970     0.059576600 
C5 C     0.752561260     0.603509760     0.039249200 
C6 C     0.924325070     0.628065760     0.020152560 
C7 C     0.768303070     0.613987690    -0.000198680 
C8 C     0.940864240     0.638417270    -0.019263980 
C9 C     0.785755310     0.624218340    -0.039648990 
C10 C     0.959463970     0.648394730    -0.058673510 
C11 C     0.805434250     0.633959940    -0.079092860 
C12 C     0.980606120     0.657704650    -0.098073010 
C13 C     0.826958270     0.643137800    -0.118489290 
C14 C     1.006422810     0.667134620    -0.137246180 
C15 C     0.665177680     0.713232090    -0.163573860 
C16 C     0.333233340     0.734051250    -0.193164610 
C17 C     0.221027860     0.690378320    -0.210518440 
C18 C     0.018402940     0.731519790    -0.222459400 
C19 C    -0.078780220     0.817971240    -0.217372760 
C20 C     0.031389930     0.861726220    -0.200132650 
C21 C     0.235931200     0.820337850    -0.188084990 
C22 C    -0.375881000     0.941872150    -0.225912970 
N1 N     0.865781880     0.653507620    -0.156902100 
N2 N     0.539514420     0.687467360    -0.181901420 
O1 O     0.608880220     0.782458530    -0.154124930 
O2 O    -0.278826760     0.853014190    -0.230092010 
H1 H     0.838751480     0.592650990     0.132320610 
H2 H     0.532759330     0.623376460     0.118903760 
H3 H     0.657684110     0.511015530     0.117555430 
H4 H     1.085949450     0.566362200     0.098811750 
H5 H     0.961411330     0.677850150     0.100116020 
H6 H     0.671142850     0.521983470     0.077582560 
H7 H     0.546538670     0.633532060     0.078891320 
H8 H     1.100615410     0.576967610     0.059399410 
H9 H     0.975897450     0.688500630     0.060698500 
H10 H     0.685774200     0.532562480     0.038124790 
H11 H     0.561245170     0.644124290     0.039410540 
H12 H     1.115734610     0.587488430     0.020010960 
H13 H     0.991010180     0.699021240     0.021277090 
H14 H     0.701398230     0.543050040    -0.001320300 
H15 H     0.577083780     0.654651390    -0.000084030 
H16 H     1.132251540     0.597822930    -0.019346130 
H17 H     1.007551290     0.709372820    -0.018147420 
H18 H     0.718642250     0.553295320    -0.040754560 
H19 H     0.594717210     0.664966250    -0.039610390 
H20 H     1.150785350     0.607758240    -0.058666790 
H21 H     1.026154500     0.719351690    -0.057585140 
H22 H     0.737954210     0.563067200    -0.080165470 
H23 H     0.614827270     0.674874750    -0.079179830 
H24 H     1.171720310     0.616912610    -0.097936560 
H25 H     1.047415340     0.728642560    -0.097022860 
H26 H     0.759120840     0.572356790    -0.119708170 
H27 H     0.639131590     0.685053940    -0.118938260 
H28 H     1.197153170     0.626603480    -0.137329960 
H29 H     1.066831820     0.738346470    -0.136471060 
H30 H     0.905808570     0.596514810    -0.164901180 
H31 H     0.602658500     0.628787770    -0.188331990 
H32 H     0.293821700     0.623174600    -0.214710950 
H33 H    -0.068016830     0.697836360    -0.235860420 
H34 H    -0.039142470     0.928614810    -0.195752890 
H35 H     0.320353950     0.854447710    -0.174758310 
H36 H    -0.530872970     0.956571630    -0.237713520 
H37 H    -0.473139100     0.946279720    -0.210631690 
H38 H    -0.207327680     0.991753610    -0.226903980 

#END
data_-146.129_g26a_fchk_33_289_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 10.6247
_cell_length_b 46.8169
_cell_length_c 4.4944
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.107775690     0.090558980     0.474724500 
C2 C     0.017147480     0.071174870     0.303893970 
C3 C    -0.051072870     0.049721210     0.504014140 
C4 C    -0.141967220     0.030226310     0.335264240 
C5 C    -0.210126280     0.008765020     0.535222630 
C6 C    -0.300876160    -0.010726000     0.365942130 
C7 C    -0.369048360    -0.032233890     0.565311650 
C8 C    -0.459507860    -0.051730600     0.395238870 
C9 C    -0.527635180    -0.073315830     0.593779750 
C10 C    -0.617615610    -0.092838670     0.422618760 
C11 C    -0.685568120    -0.114526660     0.620232910 
C12 C    -0.774848430    -0.134111430     0.447765040 
C13 C    -0.842629100    -0.155828380     0.645062190 
C14 C    -0.931152420    -0.175210570     0.467651400 
C15 C    -0.938525620    -0.221281670     0.730738300 
C16 C    -0.985768020    -0.266537350     1.009327110 
C17 C    -1.072998010    -0.278897910     1.205152630 
C18 C    -1.050237680    -0.305177320     1.335233120 
C19 C    -0.939060710    -0.319973730     1.272926030 
C20 C    -0.852037920    -0.307849390     1.078194100 
C21 C    -0.874830080    -0.281334360     0.947024220 
C22 C    -0.811904930    -0.361064590     1.361734230 
N1 N    -0.996515090    -0.196190210     0.649744160 
N2 N    -1.016137820    -0.239666320     0.887509700 
O1 O    -0.828627300    -0.226284260     0.670811160 
O2 O    -0.924995270    -0.345743060     1.412141220 
H1 H     0.155288620     0.105618620     0.326600060 
H2 H     0.057901140     0.102972830     0.644041330 
H3 H     0.180266320     0.078032730     0.588288230 
H4 H     0.068879860     0.059544570     0.131016770 
H5 H    -0.052686880     0.084266270     0.186991260 
H6 H     0.018737930     0.036603510     0.621150920 
H7 H    -0.102880670     0.061342690     0.677149000 
H8 H    -0.090094870     0.018629390     0.162097570 
H9 H    -0.211737970     0.043357510     0.218237460 
H10 H    -0.140380500    -0.004365030     0.652346300 
H11 H    -0.262096530     0.020350260     0.708288500 
H12 H    -0.248867890    -0.022284820     0.192728030 
H13 H    -0.370634920     0.002407750     0.248919340 
H14 H    -0.299307760    -0.045356770     0.682548170 
H15 H    -0.421243120    -0.020691880     0.738307780 
H16 H    -0.407258650    -0.063227890     0.221978660 
H17 H    -0.529296530    -0.038605490     0.278224770 
H18 H    -0.457859460    -0.086414470     0.711202350 
H19 H    -0.580198990    -0.061843910     0.766635080 
H20 H    -0.564989660    -0.104246460     0.249334540 
H21 H    -0.687511630    -0.079743840     0.305638190 
H22 H    -0.615717710    -0.127576670     0.737974200 
H23 H    -0.738765670    -0.103167920     0.792700080 
H24 H    -0.721575400    -0.145403880     0.274622400 
H25 H    -0.844862140    -0.121063850     0.330724640 
H26 H    -0.773465540    -0.169008500     0.763301580 
H27 H    -0.898149320    -0.144729540     0.814469770 
H28 H    -0.879007220    -0.186684700     0.295037790 
H29 H    -1.002782150    -0.162281130     0.357481840 
H30 H    -1.087601780    -0.192772970     0.699598150 
H31 H    -1.105382790    -0.233287500     0.923899730 
H32 H    -1.159938020    -0.267730330     1.256198650 
H33 H    -1.117520560    -0.314703560     1.486528090 
H34 H    -0.765103810    -0.318719780     1.025001390 
H35 H    -0.807250120    -0.272056560     0.796417270 
H36 H    -0.819573130    -0.380584270     1.492154890 
H37 H    -0.800494070    -0.366586710     1.126256560 
H38 H    -0.729434020    -0.348939710     1.436053400 

#END
data_-145.906_g26a_fchk_92_8342_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2-y,1/2+x,1/4+z
3 -x,-y,1/2+z
4 1/2+y,1/2-x,3/4+z
5 +y,+x,-z
6 1/2+x,1/2-y,3/4-z
7 -y,-x,1/2-z
8 1/2-x,1/2+y,1/4-z
_cell_length_a 5.3542
_cell_length_b 5.3542
_cell_length_c 156.4222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.134369380     0.325384230     0.744412480 
C2 C     0.092910730     0.169621480     0.736337630 
C3 C     0.322384470     0.016555890     0.733765840 
C4 C     0.282851730    -0.139945600     0.725694830 
C5 C     0.512263160    -0.292871250     0.723118960 
C6 C     0.472373630    -0.449029690     0.715041390 
C7 C     0.701603150    -0.601907250     0.712444540 
C8 C     0.661251850    -0.757404750     0.704354790 
C9 C     0.890295430    -0.910088080     0.701725890 
C10 C     0.849415400    -1.064517010     0.693615350 
C11 C     1.078355360    -1.216735400     0.690947340 
C12 C     1.037014440    -1.369630600     0.682805010 
C13 C     1.265911130    -1.521470680     0.680125840 
C14 C     1.220315850    -1.672355510     0.671960110 
C15 C     1.570222350    -1.750349390     0.662113910 
C16 C     1.934333950    -1.900463160     0.653390620 
C17 C     2.106828420    -2.096218790     0.652560990 
C18 C     2.285662030    -2.094161810     0.646177680 
C19 C     2.297334450    -1.895411250     0.640398410 
C20 C     2.126309510    -1.700439570     0.641173870 
C21 C     1.945966110    -1.702181080     0.647613500 
C22 C     2.505296960    -1.707302530     0.628556710 
N1 N     1.435586390    -1.817854620     0.669237810 
N2 N     1.759017910    -1.916877690     0.660088330 
O1 O     1.526149120    -1.559571760     0.658112920 
O2 O     2.480393420    -1.909984330     0.634324980 
H1 H    -0.032072370     0.432952590     0.746094270 
H2 H     0.180786010     0.206230070     0.749870320 
H3 H     0.288504450     0.457220970     0.743548920 
H4 H     0.040577030     0.292698560     0.731029240 
H5 H    -0.065762230     0.043288840     0.737304850 
H6 H     0.481342950     0.142820280     0.732795660 
H7 H     0.374924200    -0.106696970     0.739075670 
H8 H     0.230182890    -0.016566340     0.720390990 
H9 H     0.123911330    -0.266145850     0.726670350 
H10 H     0.671259910    -0.166731170     0.722145100 
H11 H     0.564899850    -0.416429710     0.728417690 
H12 H     0.419513090    -0.325384210     0.709747090 
H13 H     0.313425930    -0.575207250     0.716017680 
H14 H     0.860641820    -0.475791260     0.711474230 
H15 H     0.754357970    -0.725892110     0.717730070 
H16 H     0.608106940    -0.633290580     0.699076510 
H17 H     0.502346370    -0.883640660     0.705328890 
H18 H     1.049351310    -0.783927960     0.700764760 
H19 H     0.943221660    -1.034771090     0.706989530 
H20 H     0.795891870    -0.939674290     0.688361220 
H21 H     0.690659550    -1.190962710     0.694581810 
H22 H     1.237408850    -1.090472310     0.690003770 
H23 H     1.131439740    -1.342601980     0.696172830 
H24 H     0.983154540    -1.243550700     0.677585720 
H25 H     0.878424560    -1.496293150     0.683758080 
H26 H     1.425807270    -1.396592450     0.679153670 
H27 H     1.317687040    -1.651516770     0.685224080 
H28 H     1.167483870    -1.548522360     0.666697190 
H29 H     1.066728740    -1.802948130     0.672982810 
H30 H     1.474523140    -1.977495240     0.672358630 
H31 H     1.778004560    -2.068464460     0.663848420 
H32 H     2.100637370    -2.252304980     0.656988760 
H33 H     2.418888620    -2.245151990     0.645542250 
H34 H     2.129989260    -1.543858740     0.636809680 
H35 H     1.814015550    -1.550990370     0.648182800 
H36 H     2.659968500    -1.755397940     0.624349040 
H37 H     2.335769140    -1.681140360     0.624731420 
H38 H     2.548583500    -1.532925190     0.631916090 

#END
data_-145.568_g26a_fchk_33_3021_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 10.5634
_cell_length_b 46.9889
_cell_length_c 4.5165
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.393874310     0.091904170     0.445919710 
C2 C     0.484857370     0.072556750     0.275846000 
C3 C     0.550482430     0.050589240     0.473517280 
C4 C     0.641710000     0.031126870     0.305502620 
C5 C     0.707389740     0.009174800     0.503070120 
C6 C     0.798667110    -0.010245060     0.334623430 
C7 C     0.864603350    -0.032195360     0.531724600 
C8 C     0.956011710    -0.051537080     0.362697560 
C9 C     1.022365580    -0.073472730     0.559201770 
C10 C     1.114040400    -0.092692240     0.389459870 
C11 C     1.180943480    -0.114586630     0.585398480 
C12 C     1.273081630    -0.133636520     0.414930330 
C13 C     1.340157120    -0.155491380     0.610723270 
C14 C     1.431986790    -0.174249700     0.435559130 
C15 C     1.439839270    -0.220336810     0.693749760 
C16 C     1.482565520    -0.264187170     0.995662380 
C17 C     1.568395000    -0.276287060     1.196541760 
C18 C     1.546945350    -0.302887950     1.317863650 
C19 C     1.438434370    -0.318258470     1.241785250 
C20 C     1.352618890    -0.306354650     1.042710240 
C21 C     1.374188200    -0.279536170     0.919994290 
C22 C     1.317324430    -0.360715770     1.299733550 
N1 N     1.497632390    -0.195171410     0.616714980 
N2 N     1.511888110    -0.237049920     0.881787270 
O1 O     1.335581140    -0.227021600     0.600019570 
O2 O     1.425580080    -0.344328490     1.372818560 
H1 H     0.348522460     0.107391290     0.299717590 
H2 H     0.319046170     0.079508760     0.552933070 
H3 H     0.443623170     0.103726060     0.619252830 
H4 H     0.556857580     0.085542800     0.164817820 
H5 H     0.433274780     0.061463970     0.099602280 
H6 H     0.602152510     0.061668470     0.650025300 
H7 H     0.478487210     0.037580400     0.584767020 
H8 H     0.713609310     0.044154060     0.194206000 
H9 H     0.589975150     0.020056240     0.129092020 
H10 H     0.759107650     0.020238250     0.679556460 
H11 H     0.635540730    -0.003873570     0.614242770 
H12 H     0.870421120     0.002818380     0.223275360 
H13 H     0.746922100    -0.021312760     0.158217730 
H14 H     0.916278910    -0.021134200     0.708299840 
H15 H     0.792924440    -0.045297830     0.642800450 
H16 H     1.027530080    -0.038410990     0.251306900 
H17 H     0.904299940    -0.062612760     0.186302070 
H18 H     1.073922350    -0.062403970     0.735921110 
H19 H     0.950964710    -0.086663500     0.670091700 
H20 H     1.185214400    -0.079470130     0.278062300 
H21 H     1.062444610    -0.103796500     0.213101690 
H22 H     1.232267680    -0.103500600     0.762357530 
H23 H     1.110003620    -0.127925120     0.695815430 
H24 H     1.343810930    -0.120258660     0.303774980 
H25 H     1.221682810    -0.144772290     0.238551260 
H26 H     1.391922610    -0.144584420     0.788055260 
H27 H     1.270403180    -0.169316710     0.717530010 
H28 H     1.503331950    -0.161155590     0.324675260 
H29 H     1.380259790    -0.185890230     0.265056470 
H30 H     1.583082150    -0.190094400     0.699769870 
H31 H     1.596674850    -0.229343800     0.945090610 
H32 H     1.653216100    -0.264664110     1.258434960 
H33 H     1.613238730    -0.312232200     1.472711010 
H34 H     1.267693050    -0.317656590     0.979131780 
H35 H     1.307480430    -0.270416120     0.766246560 
H36 H     1.325693750    -0.380416450     1.425095330 
H37 H     1.229634480    -0.349823620     1.362976110 
H38 H     1.314194150    -0.365655110     1.062647000 

#END
data_-145.317_g26a_fchk_14_7210_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.5408
_cell_length_b 9.365
_cell_length_c 53.5446
_cell_angle_alpha 90.0
_cell_angle_beta 103.1245
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.603795810     0.124856920     0.899339410 
C2 C     0.849250480     0.039671600     0.917605390 
C3 C     0.740607760    -0.024867100     0.940197990 
C4 C     0.984478120    -0.110305870     0.958587030 
C5 C     0.876004980    -0.174767750     0.981183290 
C6 C     1.120346060    -0.260038580     0.999560350 
C7 C     1.012596460    -0.324472610     1.022193250 
C8 C     1.257664670    -0.409400740     1.040560480 
C9 C     1.150960470    -0.473716080     1.063253560 
C10 C     1.397073370    -0.558070420     1.081621250 
C11 C     1.291569190    -0.622101610     1.104392510 
C12 C     1.539014880    -0.705605120     1.122784230 
C13 C     1.433879920    -0.769417750     1.145573610 
C14 C     1.685267440    -0.852136060     1.163723080 
C15 C     1.717338030    -0.867249140     1.210149480 
C16 C     1.694793440    -0.920470530     1.255653340 
C17 C     1.545493190    -1.004046610     1.270690610 
C18 C     1.606661280    -0.988641210     1.297063600 
C19 C     1.820204170    -0.888785790     1.309258290 
C20 C     1.969820620    -0.805525730     1.294448560 
C21 C     1.908165490    -0.820874020     1.267844540 
C22 C     2.080800330    -0.781847140     1.348480940 
N1 N     1.591861990    -0.913514160     1.185663740 
N2 N     1.618192900    -0.942642030     1.228923440 
O1 O     1.895924450    -0.767945020     1.214462910 
O2 O     1.864927530    -0.881297650     1.335351290 
H1 H     0.687484630     0.169862730     0.883426380 
H2 H     0.408978080     0.057330390     0.891188400 
H3 H     0.522695300     0.213290770     0.909337040 
H4 H     1.044547890     0.108783610     0.924980710 
H5 H     0.931194570    -0.046128990     0.907004670 
H6 H     0.658530160     0.060921970     0.950824600 
H7 H     0.545105700    -0.094061650     0.932834750 
H8 H     1.179917260    -0.041055840     0.965926420 
H9 H     1.066397680    -0.196061360     0.947948260 
H10 H     0.793993030    -0.089042660     0.991822540 
H11 H     0.680719700    -0.244117730     0.973856120 
H12 H     1.315679220    -0.190662330     1.006861820 
H13 H     1.202251100    -0.345782510     0.988919020 
H14 H     0.930453120    -0.238760250     1.032827260 
H15 H     0.817563340    -0.394042720     1.014910070 
H16 H     1.452793280    -0.339797070     1.047800320 
H17 H     1.339595550    -0.495172230     1.029927720 
H18 H     1.068551200    -0.387984530     1.073866720 
H19 H     0.956363830    -0.543648300     1.056041620 
H20 H     1.591858150    -0.488107170     1.088771070 
H21 H     1.479092370    -0.643941410     1.071018570 
H22 H     1.208678120    -0.536325910     1.114963210 
H23 H     1.097839050    -0.692658390     1.097295300 
H24 H     1.733160750    -0.634999880     1.129814970 
H25 H     1.621270100    -0.791573650     1.112226190 
H26 H     1.351068890    -0.684328480     1.156282990 
H27 H     1.244385910    -0.842347310     1.138746050 
H28 H     1.879716480    -0.782676000     1.170950810 
H29 H     1.761605410    -0.939944960     1.153373050 
H30 H     1.447569260    -0.996577640     1.182702960 
H31 H     1.470457410    -1.022756440     1.223109050 
H32 H     1.378930160    -1.082238060     1.261563470 
H33 H     1.491257520    -1.053070410     1.308663810 
H34 H     2.136413890    -0.727312590     1.303260100 
H35 H     2.024640850    -0.756271780     1.256477690 
H36 H     2.080236630    -0.792581480     1.368716350 
H37 H     2.307829600    -0.805269500     1.345729030 
H38 H     2.019710710    -0.672108780     1.342279100 

#END
data_-145.124_g26a_fchk_2_11062_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.2745
_cell_length_b 28.3073
_cell_length_c 9.9852
_cell_angle_alpha 80.6969
_cell_angle_beta 104.0986
_cell_angle_gamma 104.549
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.762921780     0.705633610     0.034954490 
C2 C     0.912254860     0.758916740    -0.012589480 
C3 C     1.129895660     0.787580870     0.107024170 
C4 C     1.280493950     0.840930500     0.060561310 
C5 C     1.497919690     0.869605420     0.180120060 
C6 C     1.647981170     0.922959420     0.133426120 
C7 C     1.865195010     0.951739580     0.252803590 
C8 C     2.014257830     1.005103690     0.205787700 
C9 C     2.231004320     1.034037780     0.324933020 
C10 C     2.378478040     1.087428010     0.277509710 
C11 C     2.594375690     1.116536200     0.396429160 
C12 C     2.739600850     1.169979700     0.348574010 
C13 C     2.954934760     1.199120010     0.467411970 
C14 C     3.096785410     1.252469570     0.417095860 
C15 C     3.258275190     1.326915410     0.537849420 
C16 C     3.506373010     1.396870050     0.684255740 
C17 C     3.734439270     1.410412040     0.806372620 
C18 C     3.768779700     1.455158180     0.853573740 
C19 C     3.575333960     1.487892130     0.779661590 
C20 C     3.348580950     1.474726690     0.658113100 
C21 C     3.313504400     1.429589680     0.610447960 
C22 C     3.444481900     1.566135090     0.760007630 
N1 N     3.301625140     1.281145950     0.528179090 
N2 N     3.486362560     1.350559630     0.643849430 
O1 O     3.035993040     1.344103190     0.460337910 
O2 O     3.626810700     1.531134480     0.834501190 
H1 H     0.608480900     0.686065300    -0.052380370 
H2 H     0.956649820     0.685742220     0.085816920 
H3 H     0.608901780     0.703771300     0.109427930 
H4 H     0.713432350     0.777627190    -0.066212600 
H5 H     1.059057220     0.759756260    -0.089320740 
H6 H     0.983206530     0.786767150     0.183900360 
H7 H     1.328985360     0.768878890     0.160770720 
H8 H     1.081255980     0.859589280     0.006763500 
H9 H     1.427133540     0.841711540    -0.016286950 
H10 H     1.351376400     0.868820740     0.257007500 
H11 H     1.697356310     0.850985850     0.233887810 
H12 H     1.448424600     0.941545110     0.079551630 
H13 H     1.794594680     0.923734630     0.056576010 
H14 H     1.718709850     0.950938480     0.329728290 
H15 H     2.065126310     0.933222640     0.306600430 
H16 H     1.814143680     1.023565750     0.151803830 
H17 H     2.160940610     1.005895440     0.128954140 
H18 H     2.084517980     1.033184910     0.401900880 
H19 H     2.431740810     1.015689880     0.378764650 
H20 H     2.177501990     1.105703110     0.223387020 
H21 H     2.525410920     1.088278020     0.200735310 
H22 H     2.447857890     1.115582260     0.473459900 
H23 H     2.796451970     1.098477890     0.450244450 
H24 H     2.537169960     1.187975750     0.294356770 
H25 H     2.886761710     1.170919460     0.271845520 
H26 H     2.810174360     1.198431500     0.544839880 
H27 H     3.161512430     1.182010840     0.520193000 
H28 H     2.897172460     1.270875160     0.363351150 
H29 H     3.250198060     1.253405290     0.343486270 
H30 H     3.489085470     1.268126070     0.592608870 
H31 H     3.659398490     1.332822040     0.701301510 
H32 H     3.887022770     1.385475320     0.865186000 
H33 H     3.944616100     1.465588010     0.947872770 
H34 H     3.195123260     1.499179660     0.598367510 
H35 H     3.137891340     1.419593070     0.516327070 
H36 H     3.520321910     1.597250600     0.820981500 
H37 H     3.500438670     1.578316770     0.656816270 
H38 H     3.177494360     1.551534380     0.748820280 

#END
data_-145.082_g26a_fchk_14_13016_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 4.5135
_cell_length_b 7.775
_cell_length_c 65.6055
_cell_angle_alpha 90.0
_cell_angle_beta 77.4829
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.559299840     0.204237690     0.628427020 
C2 C     0.312759500     0.211951930     0.648495290 
C3 C     0.439953920     0.205258900     0.668296310 
C4 C     0.195146780     0.212897770     0.688460350 
C5 C     0.322204060     0.206104590     0.708258380 
C6 C     0.076959920     0.213587560     0.728403000 
C7 C     0.203360880     0.206595950     0.748226380 
C8 C    -0.042512440     0.213724300     0.768340110 
C9 C     0.082981800     0.206342070     0.788198650 
C10 C    -0.163739630     0.212828580     0.808271230 
C11 C    -0.039216060     0.204817580     0.828164410 
C12 C    -0.286934060     0.210284500     0.848190650 
C13 C    -0.162672170     0.201968680     0.868080030 
C14 C    -0.414531120     0.207246310     0.887898310 
C15 C    -0.159400110     0.337468070     0.913680490 
C16 C     0.099503620     0.418979360     0.942531710 
C17 C     0.182680950     0.356190700     0.960546510 
C18 C     0.329226410     0.460149920     0.972362110 
C19 C     0.397579910     0.630836190     0.966481780 
C20 C     0.316089080     0.694050230     0.948582490 
C21 C     0.168053420     0.589374630     0.936660090 
C22 C     0.599834580     0.899812230     0.974432340 
N1 N    -0.302785790     0.198710930     0.907075590 
N2 N    -0.049999520     0.304674470     0.931449130 
O1 O    -0.136424780     0.475715420     0.904645940 
O2 O     0.542330880     0.723384960     0.979138850 
H1 H     0.462292040     0.208974670     0.614546890 
H2 H     0.717284160     0.312124580     0.627552110 
H3 H     0.691541810     0.085551710     0.627689030 
H4 H     0.153469260     0.105124990     0.648726960 
H5 H     0.179534890     0.330024400     0.648623120 
H6 H     0.573356140     0.087116430     0.668186140 
H7 H     0.599443090     0.312139390     0.668078440 
H8 H     0.035698570     0.106047700     0.688657570 
H9 H     0.061894880     0.331058020     0.688559040 
H10 H     0.455539330     0.087978770     0.708162070 
H11 H     0.481482240     0.313003600     0.708078000 
H12 H    -0.082403430     0.106748130     0.728564320 
H13 H    -0.056277690     0.331745920     0.728498990 
H14 H     0.336815080     0.088509020     0.748127020 
H15 H     0.362382990     0.313549050     0.748094080 
H16 H    -0.201697030     0.106881640     0.768441170 
H17 H    -0.175770810     0.331879220     0.768444130 
H18 H     0.216674600     0.088324040     0.788082680 
H19 H     0.241558720     0.313386690     0.788144790 
H20 H    -0.322607560     0.105956320     0.808281890 
H21 H    -0.297069190     0.330974150     0.808403690 
H22 H     0.094904050     0.086931060     0.828014480 
H23 H     0.118463290     0.312041390     0.828240880 
H24 H    -0.445136310     0.103216920     0.848067630 
H25 H    -0.420457820     0.328359580     0.848361760 
H26 H    -0.028632890     0.084288110     0.868078050 
H27 H    -0.009657900     0.310391610     0.868544580 
H28 H    -0.573101830     0.100631010     0.887999870 
H29 H    -0.542359510     0.326809890     0.888330490 
H30 H    -0.315632890     0.085806110     0.914712380 
H31 H    -0.081834160     0.185531900     0.937570840 
H32 H     0.131601810     0.223901860     0.965360280 
H33 H     0.393195710     0.411714480     0.986273010 
H34 H     0.365633300     0.825429910     0.943580970 
H35 H     0.105664430     0.638859890     0.922821670 
H36 H     0.713694730     0.948755860     0.986272520 
H37 H     0.747947660     0.917230040     0.958959170 
H38 H     0.388759110     0.971614900     0.975173750 

#END
data_-145.036_g26a_fchk_9_1093_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 +x,-y,1/2+z
3 1/2+x,1/2+y,+z
4 1/2+x,1/2-y,1/2+z
_cell_length_a 11.706
_cell_length_b 64.5819
_cell_length_c 8.7996
_cell_angle_alpha 90.0
_cell_angle_beta 19.5325
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.310538220     0.618785450     0.741555260 
C2 C     0.509132580     0.599345980     0.538022780 
C3 C     0.324761920     0.579255920     0.726799500 
C4 C     0.521316890     0.559716530     0.525355560 
C5 C     0.336986670     0.539629790     0.714195750 
C6 C     0.533864080     0.520110900     0.512594690 
C7 C     0.349911630     0.500000490     0.701267460 
C8 C     0.547127370     0.480514050     0.499698580 
C9 C     0.363576890     0.460370770     0.688378460 
C10 C     0.561079390     0.440927600     0.487188810 
C11 C     0.377751210     0.420752190     0.676298580 
C12 C     0.575313100     0.401357840     0.476101950 
C13 C     0.391940520     0.381186920     0.665569930 
C14 C     0.593941190     0.362010500     0.461192130 
C15 C     0.401685640     0.335832460     0.517860290 
C16 C     0.149558560     0.306514350     0.683629840 
C17 C    -0.028828840     0.287769770     0.921433000 
C18 C    -0.101738130     0.275731250     0.886905540 
C19 C     0.001800580     0.282113030     0.612475930 
C20 C     0.178660520     0.300736020     0.375753410 
C21 C     0.252607090     0.312885140     0.409985820 
C22 C     0.018360460     0.275097150     0.325787450 
N1 N     0.424566300     0.342581660     0.637084980 
N2 N     0.214262050     0.317782830     0.736622830 
O1 O     0.538791490     0.344987680     0.240994300 
O2 O    -0.081706680     0.269185410     0.599869630 
H1 H     0.447570180     0.632887490     0.601500260 
H2 H     0.267560830     0.619258670     0.672598340 
H3 H     0.060208320     0.619210690     1.110722170 
H4 H     0.556174150     0.599518360     0.601875410 
H5 H     0.761404200     0.599532680     0.167570230 
H6 H     0.072196810     0.579051150     1.097613670 
H7 H     0.277542690     0.579069260     0.663066860 
H8 H     0.568581040     0.559923700     0.589012400 
H9 H     0.773781960     0.559932390     0.154621560 
H10 H     0.084468370     0.539411350     1.084946700 
H11 H     0.289896370     0.539406220     0.650317190 
H12 H     0.581149590     0.520353720     0.576219220 
H13 H     0.786320190     0.520329430     0.141871450 
H14 H     0.097323820     0.499784790     1.072046790 
H15 H     0.303003390     0.499729520     0.637154070 
H16 H     0.594391240     0.480816610     0.563347280 
H17 H     0.799579370     0.480724600     0.128983000 
H18 H     0.110867870     0.460171080     1.059206020 
H19 H     0.316996120     0.460022540     0.623848500 
H20 H     0.608237570     0.441319670     0.550971500 
H21 H     0.813517420     0.441109900     0.116496890 
H22 H     0.124844410     0.420585340     1.047185120 
H23 H     0.331898110     0.420275960     0.610867600 
H24 H     0.621964680     0.401881840     0.540584390 
H25 H     0.827769100     0.401502050     0.105465330 
H26 H     0.138936510     0.380872480     1.036340980 
H27 H     0.350903620     0.380334390     0.594158090 
H28 H     0.640831040     0.362311030     0.524974880 
H29 H     0.841617400     0.361879760     0.093732800 
H30 H     0.306018660     0.334832550     0.869734420 
H31 H     0.112403630     0.311583530     0.959120300 
H32 H    -0.111491770     0.282557860     1.136489380 
H33 H    -0.239178400     0.261258230     1.070172850 
H34 H     0.262381200     0.306139050     0.160601060 
H35 H     0.389300590     0.327283120     0.226395480 
H36 H    -0.070352050     0.262818610     0.361972110 
H37 H    -0.099868870     0.289773990     0.440108330 
H38 H     0.296681510     0.276487940    -0.032630980 

#END
data_-144.717_g26a_fchk_15_24456_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 5.0004
_cell_length_b 65.9618
_cell_length_c 18.6734
_cell_angle_alpha 90.0
_cell_angle_beta 50.31
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.496444380     0.865540040     0.855791350 
C2 C     0.277294630     0.846279080     0.886715770 
C3 C     0.491221750     0.826828170     0.857583620 
C4 C     0.274404860     0.807471780     0.888187210 
C5 C     0.488209820     0.788023850     0.859027460 
C6 C     0.270898160     0.768686830     0.889625740 
C7 C     0.484124370     0.749214880     0.860453770 
C8 C     0.266148690     0.729908480     0.890982790 
C9 C     0.478627740     0.710403090     0.861737680 
C10 C     0.259831470     0.691137430     0.892094130 
C11 C     0.471594380     0.671599070     0.862670390 
C12 C     0.251958760     0.652379120     0.892695270 
C13 C     0.463545390     0.632844590     0.863163290 
C14 C     0.238569580     0.613832080     0.893768330 
C15 C     0.517120360     0.587071910     0.917817030 
C16 C     0.844453030     0.557742190     0.914834790 
C17 C     1.064289520     0.541498220     0.859904980 
C18 C     1.195222090     0.528849010     0.890091600 
C19 C     1.110085800     0.532087270     0.976511160 
C20 C     0.892262070     0.548216560     1.031409530 
C21 C     0.759793910     0.560976610     1.001079760 
C22 C     1.146793700     0.520373270     1.090794600 
N1 N     0.433581750     0.595006180     0.866192920 
N2 N     0.721660060     0.569835610     0.878986180 
O1 O     0.414622570     0.594613910     0.991197360 
O2 O     1.251729940     0.518795410     1.000292280 
H1 H     0.337488610     0.879184070     0.877351560 
H2 H     0.626266700     0.866269950     0.885669620 
H3 H     0.698113250     0.866032400     0.780016490 
H4 H     0.143380760     0.846178210     0.857787800 
H5 H     0.072758230     0.846382130     0.962574850 
H6 H     0.696050880     0.826707650     0.781658540 
H7 H     0.625385000     0.826915380     0.886503650 
H8 H     0.140206730     0.807404640     0.859284140 
H9 H     0.069701860     0.807603310     0.964103990 
H10 H     0.693000730     0.787889930     0.783114480 
H11 H     0.622247280     0.788074810     0.887971720 
H12 H     0.136673730     0.768654590     0.860729850 
H13 H     0.066203420     0.768820980     0.965540630 
H14 H     0.689023960     0.749083800     0.784543810 
H15 H     0.618003720     0.749219310     0.889441640 
H16 H     0.131931050     0.729934760     0.862083590 
H17 H     0.061458280     0.730034830     0.966895810 
H18 H     0.683714690     0.710287970     0.785833520 
H19 H     0.612216280     0.710331670     0.890802220 
H20 H     0.125690510     0.691251410     0.863171160 
H21 H     0.055157820     0.691236130     0.968001580 
H22 H     0.676999420     0.671516600     0.786782170 
H23 H     0.604507130     0.671401780     0.891897820 
H24 H     0.118224470     0.652622470     0.863635950 
H25 H     0.047222000     0.652440360     0.968581170 
H26 H     0.669255260     0.632618170     0.787327660 
H27 H     0.591870190     0.632275340     0.893480480 
H28 H     0.104954670     0.613857280     0.864891190 
H29 H     0.040548540     0.613633050     0.969458370 
H30 H     0.524691870     0.588583370     0.805488630 
H31 H     0.791015690     0.564980810     0.818007610 
H32 H     1.133479550     0.538745280     0.792538910 
H33 H     1.364659360     0.516304460     0.847724160 
H34 H     0.821272530     0.551160730     1.098605500 
H35 H     0.591576050     0.573438480     1.043782280 
H36 H     1.286831740     0.508535700     1.095449220 
H37 H     1.214964220     0.535169260     1.101871870 
H38 H     0.866573200     0.517908780     1.144705620 

#END
data_-144.421_g26a_fchk_14_5865_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 11.6561
_cell_length_b 62.3714
_cell_length_c 4.6307
_cell_angle_alpha 90.0
_cell_angle_beta 137.5587
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.615136620     0.874559140    -0.035371070 
C2 C     0.655677000     0.894243420    -0.144720340 
C3 C     0.652772790     0.915214100     0.021532150 
C4 C     0.693169800     0.935004510    -0.086185270 
C5 C     0.690176860     0.955972970     0.079738800 
C6 C     0.730443160     0.975743840    -0.028729460 
C7 C     0.727325930     0.996738710     0.136348550 
C8 C     0.767275360     1.016480220     0.026522020 
C9 C     0.763873230     1.037513320     0.190193690 
C10 C     0.803236590     1.057217970     0.078203340 
C11 C     0.799322570     1.078291710     0.239927520 
C12 C     0.837740480     1.097958730     0.124859940 
C13 C     0.833547850     1.119031710     0.285732240 
C14 C     0.871963300     1.138471750     0.166090840 
C15 C     0.997726690     1.164386080     0.738772240 
C16 C     1.077638670     1.194082240     1.227486670 
C17 C     1.023571640     1.213952260     1.235377670 
C18 C     1.122489920     1.225401810     1.612099020 
C19 C     1.279170330     1.217279420     1.994254060 
C20 C     1.333610510     1.197530700     1.989052360 
C21 C     1.234027720     1.185973800     1.609243790 
C22 C     1.526843570     1.222027210     2.744219700 
N1 N     0.868049000     1.158767730     0.313539200 
N2 N     0.969411750     1.183519610     0.829982620 
O1 O     1.125328590     1.153439480     1.004111720 
O2 O     1.367736910     1.229748110     2.349388960 
H1 H     0.617830580     0.859829770    -0.158244540 
H2 H     0.707110230     0.872777210     0.311162250 
H3 H     0.488841730     0.875885830    -0.172466410 
H4 H     0.564396050     0.895343050    -0.492618120 
H5 H     0.781034210     0.892292350    -0.012018300 
H6 H     0.527345680     0.917184990    -0.111099930 
H7 H     0.744099690     0.914128720     0.369755100 
H8 H     0.601855150     0.936068360    -0.434391460 
H9 H     0.818594580     0.933022100     0.046562320 
H10 H     0.564780690     0.957957670    -0.052861060 
H11 H     0.781563960     0.954925180     0.427970200 
H12 H     0.639107590     0.976770840    -0.376981820 
H13 H     0.855863100     0.973758710     0.104015610 
H14 H     0.601956170     0.998720180     0.003913890 
H15 H     0.818818600     0.995738830     0.484664750 
H16 H     0.675881420     1.017445790    -0.321821100 
H17 H     0.892699090     1.014503350     0.159273810 
H18 H     0.638540460     1.039477600     0.058031700 
H19 H     0.855543500     1.036591440     0.538632510 
H20 H     0.711727160     1.058091900    -0.270286830 
H21 H     0.928676290     1.055270300     0.210986610 
H22 H     0.674061010     1.080220770     0.108254340 
H23 H     0.891326620     1.077498530     0.588496230 
H24 H     0.745897430     1.098699910    -0.223995800 
H25 H     0.963153270     1.096051150     0.257487900 
H26 H     0.708594250     1.121110230     0.154979890 
H27 H     0.927349070     1.118605360     0.634416190 
H28 H     0.780742800     1.139437010    -0.181282940 
H29 H     0.998556960     1.136834050     0.307424200 
H30 H     0.763593070     1.167995590     0.102756000 
H31 H     0.859221710     1.191192780     0.585058540 
H32 H     0.902184730     1.220521070     0.941713150 
H33 H     1.080807240     1.240743400     1.618078690 
H34 H     1.454089260     1.190773370     2.278898930 
H35 H     1.276667490     1.170699930     1.606977120 
H36 H     1.575576880     1.234228740     2.981084600 
H37 H     1.513203400     1.206851310     2.835995830 
H38 H     1.616632700     1.219821360     2.732433390 

#END
data_-144.273_g26a_fchk_61_4283_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,1/2-y,1/2+z
8 1/2+x,+y,1/2-z
_cell_length_a 62.9451
_cell_length_b 4.5279
_cell_length_c 15.5494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.623408020     0.838931460     0.841236370 
C2 C     0.603151180     1.022543540     0.851035870 
C3 C     0.582912960     0.835105240     0.851106260 
C4 C     0.562557470     1.016698260     0.860877220 
C5 C     0.542321630     0.829409780     0.860897890 
C6 C     0.521984980     1.011504330     0.870589780 
C7 C     0.501722240     0.824799770     0.870521220 
C8 C     0.481414760     1.007630530     0.880033660 
C9 C     0.461113850     0.821736830     0.879783740 
C10 C     0.440844040     1.005564970     0.888972650 
C11 C     0.420503870     0.820557020     0.888422820 
C12 C     0.400274380     1.005561430     0.897099540 
C13 C     0.379936040     0.820838110     0.896398500 
C14 C     0.359918410     1.010616790     0.904963560 
C15 C     0.334386310     0.674587920     0.974188440 
C16 C     0.305429160     0.326363490     1.019677410 
C17 C     0.286608950     0.190864500     0.991746640 
C18 C     0.275164870     0.006550900     1.045498480 
C19 C     0.282238960    -0.048294190     1.129192880 
C20 C     0.300943160     0.085165230     1.157353050 
C21 C     0.312492290     0.271304050     1.103227540 
C22 C     0.276496100    -0.294883470     1.262675480 
N1 N     0.340307860     0.840567490     0.904083020 
N2 N     0.316060160     0.511686370     0.960926410 
O1 O     0.344423310     0.676622040     1.041378880 
O2 O     0.269863450    -0.233056670     1.177431740 
H1 H     0.637598110     0.978140210     0.841261740 
H2 H     0.624995260     0.679894240     0.893842340 
H3 H     0.623267370     0.714137270     0.780967300 
H4 H     0.602226190     1.184819990     0.798829320 
H5 H     0.603908470     1.150219480     0.910874160 
H6 H     0.582137130     0.707200710     0.791235650 
H7 H     0.583824200     0.672585920     0.903341160 
H8 H     0.561667410     1.179239060     0.808652790 
H9 H     0.563345040     1.144487610     0.920753230 
H10 H     0.541531860     0.701528670     0.801039020 
H11 H     0.543194990     0.666984670     0.913151490 
H12 H     0.521131480     1.174070650     0.818362370 
H13 H     0.522775280     1.139287820     0.930464170 
H14 H     0.500935790     0.696807980     0.810680300 
H15 H     0.502547160     0.662479700     0.922813860 
H16 H     0.480622460     1.170204300     0.827790510 
H17 H     0.482196870     1.135410110     0.939908210 
H18 H     0.460344690     0.693555660     0.819972050 
H19 H     0.461859830     0.659615340     0.932141860 
H20 H     0.440143340     1.168102600     0.836693200 
H21 H     0.441597180     1.133328290     0.948849110 
H22 H     0.419770000     0.692049290     0.828666630 
H23 H     0.421118900     0.658921660     0.940904330 
H24 H     0.399708000     1.167854930     0.844689470 
H25 H     0.400987800     1.133402180     0.956950420 
H26 H     0.379053180     0.691947340     0.836777430 
H27 H     0.380166710     0.662609520     0.949592830 
H28 H     0.359126950     1.172568230     0.852829910 
H29 H     0.360374490     1.131919020     0.965575590 
H30 H     0.331845470     0.832216170     0.849240340 
H31 H     0.309108500     0.527035020     0.902735490 
H32 H     0.280863950     0.230708990     0.926925630 
H33 H     0.260632560    -0.097822950     1.023956350 
H34 H     0.306874400     0.047439210     1.221687390 
H35 H     0.326956650     0.373857510     1.125302240 
H36 H     0.264562500    -0.442754910     1.289409300 
H37 H     0.292018690    -0.404550880     1.263837290 
H38 H     0.277269330    -0.093610480     1.301723280 

#END
data_-144.203_g26a_fchk_61_12039_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,1/2-y,1/2+z
8 1/2+x,+y,1/2-z
_cell_length_a 15.5329
_cell_length_b 63.3752
_cell_length_c 4.5486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.142728730     0.122086430     0.378264500 
C2 C     0.134068580     0.101852770     0.559259190 
C3 C     0.139154760     0.081804160     0.372392300 
C4 C     0.130560430     0.061473250     0.551380270 
C5 C     0.135589580     0.041428020     0.364623220 
C6 C     0.126893080     0.021117440     0.544045310 
C7 C     0.131789840     0.001047450     0.357784450 
C8 C     0.122882110    -0.019230530     0.537797770 
C9 C     0.127538770    -0.039334500     0.352183740 
C10 C     0.118265910    -0.059568470     0.532938760 
C11 C     0.122561930    -0.079705070     0.347957370 
C12 C     0.112729820    -0.099888530     0.529490600 
C13 C     0.116861320    -0.120020200     0.344675710 
C14 C     0.106691910    -0.139991280     0.530818020 
C15 C     0.042086240    -0.165243910     0.184034640 
C16 C    -0.002483590    -0.195053880    -0.146484320 
C17 C     0.025391460    -0.214313160    -0.265112700 
C18 C    -0.025163650    -0.225421090    -0.461962260 
C19 C    -0.105546360    -0.217575500    -0.546363550 
C20 C    -0.133737820    -0.198467000    -0.429051650 
C21 C    -0.082781590    -0.187238740    -0.230666260 
C22 C    -0.234162260    -0.222729280    -0.823357840 
N1 N     0.109971640    -0.159397660     0.360306850 
N2 N     0.053129720    -0.184731020     0.051652660 
O1 O    -0.020810250    -0.153978950     0.148163780 
O2 O    -0.150728670    -0.229654500    -0.741861120 
H1 H     0.138748130     0.136142760     0.516911080 
H2 H     0.204459950     0.122565370     0.262498580 
H3 H     0.091772420     0.123171250     0.212808150 
H4 H     0.072743430     0.102021410     0.678619910 
H5 H     0.184629370     0.101387370     0.727344830 
H6 H     0.088570630     0.082251850     0.204056480 
H7 H     0.200518190     0.081621310     0.252813020 
H8 H     0.069212890     0.061676850     0.670993010 
H9 H     0.181160910     0.061037060     0.719610780 
H10 H     0.085010800     0.041861680     0.196315520 
H11 H     0.196952770     0.041207300     0.245140440 
H12 H     0.065553170     0.021357270     0.663689130 
H13 H     0.177493260     0.020683970     0.712269560 
H14 H     0.081236580     0.001484020     0.189383060 
H15 H     0.193168420     0.000778020     0.238421150 
H16 H     0.061546680    -0.018929790     0.657451480 
H17 H     0.173479960    -0.019672100     0.706016440 
H18 H     0.077031590    -0.038881430     0.183623620 
H19 H     0.188942540    -0.039683390     0.233043130 
H20 H     0.056927760    -0.059176330     0.652551980 
H21 H     0.168857040    -0.060038760     0.701136320 
H22 H     0.072140950    -0.079218250     0.179128520 
H23 H     0.184012070    -0.080186060     0.229349360 
H24 H     0.051324220    -0.099360800     0.648801990 
H25 H     0.163278010    -0.100397600     0.697735510 
H26 H     0.066546530    -0.119683640     0.175538850 
H27 H     0.178665300    -0.120895910     0.229812450 
H28 H     0.045502400    -0.139692010     0.649946990 
H29 H     0.158305500    -0.140771220     0.693203280 
H30 H     0.160593430    -0.169100470     0.388092920 
H31 H     0.107713550    -0.192659340     0.097613770 
H32 H     0.087640110    -0.220666900    -0.202089390 
H33 H    -0.003614770    -0.240275790    -0.553663920 
H34 H    -0.195588060    -0.191947430    -0.489492840 
H35 H    -0.104904530    -0.172471910    -0.140427740 
H36 H    -0.258299370    -0.234361190    -0.979021960 
H37 H    -0.277442280    -0.222005320    -0.633280460 
H38 H    -0.232136670    -0.207213860    -0.929640550 

#END
data_-144.177_g26a_fchk_2_15439_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 21.9147
_cell_length_b 11.5691
_cell_length_c 13.4015
_cell_angle_alpha 160.32
_cell_angle_beta 92.5432
_cell_angle_gamma 89.492
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.790134890     0.651683980     0.519503260 
C2 C     0.825595790     0.342094830     0.293955260 
C3 C     0.875740120     0.421166660     0.440452040 
C4 C     0.911489270     0.113120300     0.216726330 
C5 C     0.961646320     0.192130000     0.363101530 
C6 C     0.997374910    -0.116198720     0.138950810 
C7 C     1.047615200    -0.037786690     0.284735270 
C8 C     1.083338540    -0.346425000     0.059991980 
C9 C     1.133721840    -0.268759500     0.204980360 
C10 C     1.169478060    -0.577704530    -0.020533290 
C11 C     1.220057650    -0.500686010     0.123635760 
C12 C     1.255920080    -0.809815580    -0.102735860 
C13 C     1.306555150    -0.732843030     0.041222470 
C14 C     1.341863520    -1.045463370    -0.189419410 
C15 C     1.377005080    -0.944097960     0.068406860 
C16 C     1.430754280    -0.814891370     0.340579720 
C17 C     1.488542800    -0.723597840     0.461797730 
C18 C     1.495060230    -0.675527750     0.603211900 
C19 C     1.443727870    -0.717228140     0.628017630 
C20 C     1.386146600    -0.807364500     0.508553350 
C21 C     1.379514290    -0.856199660     0.365651580 
C22 C     1.404393420    -0.720499950     0.788446810 
N1 N     1.390552370    -0.979054580    -0.058510820 
N2 N     1.428237740    -0.860041350     0.199381770 
O1 O     1.324571060    -0.988039550     0.060729810 
O2 O     1.454770080    -0.664515870     0.771173710 
H1 H     0.754724810     0.588286960     0.409038700 
H2 H     0.767576090     0.740162850     0.656591350 
H3 H     0.820844280     0.868601800     0.669880000 
H4 H     0.846415370     0.253330380     0.154761200 
H5 H     0.793629040     0.126271690     0.142110350 
H6 H     0.907768840     0.637168980     0.592502020 
H7 H     0.854945200     0.510057950     0.579847410 
H8 H     0.932231880     0.024306100     0.077346000 
H9 H     0.879435300    -0.102710690     0.064810770 
H10 H     0.993700120     0.408015320     0.515096050 
H11 H     0.940924550     0.280692690     0.502321820 
H12 H     1.018036980    -0.204836110    -0.000382690 
H13 H     0.965315770    -0.332006570    -0.012952940 
H14 H     1.079656700     0.178200710     0.436837870 
H15 H     1.026980570     0.050348430     0.423740240 
H16 H     1.103871560    -0.434714470    -0.079223350 
H17 H     1.051297610    -0.562273510    -0.091923830 
H18 H     1.165717190    -0.052532380     0.357290980 
H19 H     1.113227690    -0.181351940     0.343606330 
H20 H     1.189824930    -0.665406100    -0.159519150 
H21 H     1.137501060    -0.793696490    -0.172489950 
H22 H     1.251959010    -0.284023580     0.276313430 
H23 H     1.199785520    -0.414665530     0.261471210 
H24 H     1.276033900    -0.896344470    -0.241161180 
H25 H     1.224040510    -1.026061540    -0.254834670 
H26 H     1.338737690    -0.516807920     0.193930600 
H27 H     1.286722810    -0.653423290     0.174618700 
H28 H     1.362363190    -1.133288590    -0.328065500 
H29 H     1.310398420    -1.257679370    -0.335878940 
H30 H     1.434147720    -0.937873180    -0.046126470 
H31 H     1.469300110    -0.829813350     0.192438180 
H32 H     1.528960150    -0.689901510     0.444824740 
H33 H     1.539666100    -0.605331570     0.696548030 
H34 H     1.345473170    -0.841556620     0.523916430 
H35 H     1.334869810    -0.925707140     0.273775480 
H36 H     1.422936470    -0.666403500     0.908114850 
H37 H     1.369127890    -0.546816720     0.911174300 
H38 H     1.383628090    -0.987966100     0.566469080 

#END
data_-143.684_g26a_fchk_18_4612_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 1/2-x,1/2+y,-z
4 -x,-y,+z
_cell_length_a 11.3695
_cell_length_b 43.8338
_cell_length_c 4.5536
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.880080820     0.604707550     0.787855660 
C2 C     0.954329130     0.581864860     0.961474610 
C3 C     1.034022300     0.562345070     0.766276890 
C4 C     1.108675610     0.539417080     0.937845650 
C5 C     1.188302290     0.519886670     0.742766660 
C6 C     1.262785410     0.496954510     0.914790640 
C7 C     1.342389990     0.477366070     0.720214840 
C8 C     1.416551940     0.454415400     0.892870660 
C9 C     1.496068860     0.434732740     0.698959310 
C10 C     1.569718570     0.411737110     0.872422710 
C11 C     1.649025190     0.391931610     0.679178670 
C12 C     1.721949380     0.368849440     0.853515190 
C13 C     1.801080170     0.349008230     0.660461730 
C14 C     1.872936190     0.326064380     0.839528210 
C15 C     1.903721150     0.281987190     0.513718470 
C16 C     1.972175460     0.238850510     0.193389930 
C17 C     2.068432420     0.228791200     0.026677910 
C18 C     2.059712740     0.203434070    -0.152904190 
C19 C     1.953982300     0.187275910    -0.171108540 
C20 C     1.858017790     0.197104180    -0.005745130 
C21 C     1.866664140     0.222690740     0.175292890 
C22 C     1.847900570     0.145799570    -0.382352630 
N1 N     1.948682600     0.306769090     0.661153660 
N2 N     1.988478420     0.264938260     0.369688210 
O1 O     1.798682390     0.276201200     0.510282700 
O2 O     1.953914120     0.162573650    -0.354434190 
H1 H     0.823953320     0.618295910     0.932382120 
H2 H     0.935905860     0.620468880     0.664117880 
H3 H     0.823114850     0.593016860     0.630176950 
H4 H     0.896436350     0.566873990     1.089003990 
H5 H     1.008540000     0.594096850     1.122079800 
H6 H     0.979853100     0.550088850     0.605418170 
H7 H     1.092003560     0.577330640     0.638518500 
H8 H     1.050629260     0.524456830     1.065643580 
H9 H     1.162813680     0.551689120     1.098601700 
H10 H     1.134193740     0.507617350     0.581929610 
H11 H     1.246433330     0.534833280     0.615089330 
H12 H     1.204605340     0.482033510     1.042633160 
H13 H     1.316912370     0.509229290     1.075541600 
H14 H     1.288293010     0.465106030     0.559281990 
H15 H     1.400728810     0.492266460     0.592635010 
H16 H     1.358138330     0.439558200     1.020746930 
H17 H     1.470708260     0.466681250     1.053613110 
H18 H     1.441949020     0.422501020     0.537868450 
H19 H     1.554747270     0.449557760     0.571566260 
H20 H     1.510944060     0.396973290     1.000295730 
H21 H     1.623980240     0.423971700     1.033133450 
H22 H     1.594851800     0.379755880     0.517821500 
H23 H     1.708275560     0.406632610     0.552257500 
H24 H     1.662573220     0.354208200     0.981150840 
H25 H     1.776321900     0.381033470     1.014263440 
H26 H     1.747591540     0.336703980     0.498722280 
H27 H     1.862290920     0.363393830     0.537069510 
H28 H     1.814659750     0.311241570     0.966860430 
H29 H     1.929288360     0.338230040     0.994175820 
H30 H     2.035802770     0.310800060     0.662579820 
H31 H     2.072644870     0.271867510     0.388127360 
H32 H     2.151325060     0.241041860     0.038011680 
H33 H     2.133977720     0.195687510    -0.281718000 
H34 H     1.774939750     0.185129880    -0.014522550 
H35 H     1.792198600     0.230188700     0.302886570 
H36 H     1.866512890     0.127482070    -0.536996300 
H37 H     1.820520370     0.135949050    -0.171916040 
H38 H     1.776540730     0.160010590    -0.468892830 

#END
data_-143.507_g26a_fchk_9_3966_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 +x,-y,1/2+z
3 1/2+x,1/2+y,+z
4 1/2+x,1/2-y,1/2+z
_cell_length_a 11.7804
_cell_length_b 64.831
_cell_length_c 4.49
_cell_angle_alpha 90.0
_cell_angle_beta 40.646
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.435293720     1.368295550     0.656986750 
C2 C     0.439536360     1.348962740     0.453335860 
C3 C     0.432711820     1.328921850     0.646791050 
C4 C     0.436888050     1.309489180     0.445266450 
C5 C     0.430174440     1.289451500     0.638376390 
C6 C     0.434542260     1.270039160     0.436015160 
C7 C     0.428067150     1.249977770     0.628101620 
C8 C     0.432842530     1.230597450     0.424292260 
C9 C     0.426814090     1.210503020     0.614755330 
C10 C     0.432303560     1.191165240     0.408700350 
C11 C     0.426965960     1.171038260     0.597036730 
C12 C     0.433561100     1.151748210     0.387871160 
C13 C     0.428549110     1.131625400     0.575349770 
C14 C     0.435669540     1.112552800     0.360503200 
C15 C     0.576474730     1.086350050     0.395424420 
C16 C     0.674438430     1.055929240     0.503653160 
C17 C     0.619590310     1.036850050     0.726683020 
C18 C     0.728672360     1.024980910     0.685066740 
C19 C     0.896774010     1.031858140     0.417550990 
C20 C     0.952289950     1.050783430     0.194316660 
C21 C     0.842351230     1.062778070     0.236295110 
C22 C     1.165747220     1.025530540     0.131801990 
N1 N     0.431910820     1.093170710     0.531187200 
N2 N     0.554909310     1.067066200     0.565687740 
O1 O     0.709047210     1.096664620     0.152285570 
O2 O     0.994727820     1.019077340     0.397601850 
H1 H     0.440570140     1.382364060     0.512559990 
H2 H     0.316106350     1.368860350     1.027847040 
H3 H     0.545838660     1.368580000     0.590855540 
H4 H     0.557903790     1.349042510     0.080914370 
H5 H     0.329825220     1.349287550     0.515359840 
H6 H     0.542476920     1.328578950     0.584897040 
H7 H     0.314273500     1.328827880     1.019577330 
H8 H     0.555298000     1.309603610     0.072517590 
H9 H     0.327097570     1.309843140     0.507327460 
H10 H     0.539923990     1.289095010     0.576479310 
H11 H     0.311722790     1.289320810     1.011072670 
H12 H     0.552944470     1.270189110     0.063270650 
H13 H     0.324753370     1.270395760     0.498080620 
H14 H     0.537770160     1.249624020     0.566400050 
H15 H     0.309566880     1.249799920     1.000753630 
H16 H     0.551250440     1.230806920     0.051558300 
H17 H     0.323056550     1.230946110     0.486352840 
H18 H     0.536435450     1.210165260     0.553397140 
H19 H     0.308233090     1.210248330     0.987309930 
H20 H     0.550741620     1.191463840     0.035992580 
H21 H     0.322524920     1.191485760     0.470751350 
H22 H     0.536433960     1.170733320     0.536295130 
H23 H     0.308234370     1.170656310     0.969299350 
H24 H     0.552182710     1.152177960     0.015152980 
H25 H     0.323857280     1.152030710     0.449694370 
H26 H     0.537779280     1.131173610     0.515345190 
H27 H     0.308835980     1.130870310     0.945682140 
H28 H     0.553806420     1.112760400    -0.011123310 
H29 H     0.324013470     1.112562190     0.432275540 
H30 H     0.325050140     1.084245030     0.727969760 
H31 H     0.439666460     1.059959340     0.763053930 
H32 H     0.489462370     1.031244150     0.935902420 
H33 H     0.686279600     1.010264640     0.857485220 
H34 H     1.081525550     1.056563130    -0.015492170 
H35 H     0.885953380     1.077399810     0.062711670 
H36 H     1.219877370     1.013368150     0.163321020 
H37 H     1.247138170     1.027391160    -0.229043270 
H38 H     1.164545090     1.040045900     0.259375440 

#END
data_-143.382_g26a_fchk_60_10191_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,+y,1/2-z
4 1/2-x,1/2-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,-y,1/2+z
8 1/2+x,1/2+y,1/2-z
_cell_length_a 4.5555
_cell_length_b 15.0938
_cell_length_c 66.8953
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.071375850     0.619847570     0.115165860 
C2 C     0.243775700     0.606796080     0.095763480 
C3 C     0.059951320     0.624128190     0.077012300 
C4 C     0.230394000     0.611251790     0.057520400 
C5 C     0.046649460     0.628520370     0.038771750 
C6 C     0.217470840     0.615516820     0.019297640 
C7 C     0.034146740     0.632633330     0.000523760 
C8 C     0.205447820     0.619382430    -0.018922180 
C9 C     0.022637330     0.636232380    -0.037731240 
C10 C     0.194489680     0.622568740    -0.057139920 
C11 C     0.012117800     0.639029960    -0.075984120 
C12 C     0.184459620     0.624753400    -0.095351380 
C13 C     0.002169150     0.641038980    -0.114192730 
C14 C     0.178910800     0.626173130    -0.133366640 
C15 C    -0.031042900     0.724996830    -0.158896900 
C16 C    -0.292013650     0.802559800    -0.186962110 
C17 C    -0.497371700     0.789764060    -0.202323380 
C18 C    -0.587383230     0.859442180    -0.214279940 
C19 C    -0.474382910     0.944453280    -0.211211070 
C20 C    -0.270621110     0.957707840    -0.195956020 
C21 C    -0.179466100     0.887473340    -0.183895760 
C22 C    -0.458065730     1.095320210    -0.221721730 
N1 N     0.010379950     0.640815600    -0.151543300 
N2 N    -0.211562180     0.727956980    -0.175536380 
O1 O     0.085072720     0.789845560    -0.151379250 
O2 O    -0.576335690     1.008927070    -0.223776740 
H1 H     0.207582570     0.606933160     0.128301350 
H2 H    -0.011565930     0.687690480     0.116351760 
H3 H    -0.117738470     0.575232680     0.115826520 
H4 H     0.330534190     0.539082310     0.095191260 
H5 H     0.435344090     0.650773680     0.095682610 
H6 H    -0.131877590     0.580141420     0.077076420 
H7 H    -0.027004890     0.691893340     0.077571670 
H8 H     0.317393270     0.543497360     0.056980820 
H9 H     0.422128330     0.655257730     0.057467430 
H10 H    -0.145150310     0.584540440     0.038822600 
H11 H    -0.040215180     0.696288160     0.039295180 
H12 H     0.304508110     0.547761870     0.018792400 
H13 H     0.409199110     0.659522210     0.019247260 
H14 H    -0.157732320     0.588682990     0.000577710 
H15 H    -0.052596750     0.700420680     0.001001130 
H16 H     0.292502890     0.551620020    -0.019369750 
H17 H     0.397168620     0.663387230    -0.018980250 
H18 H    -0.169373520     0.592332830    -0.037661060 
H19 H    -0.063880990     0.704050480    -0.037329030 
H20 H     0.281512050     0.554788010    -0.057500980 
H21 H     0.386183510     0.666573120    -0.057225220 
H22 H    -0.180111430     0.595223660    -0.075880860 
H23 H    -0.073863630     0.706896500    -0.075706930 
H24 H     0.271162580     0.556891840    -0.095584520 
H25 H     0.376174740     0.668719350    -0.095473850 
H26 H    -0.190324590     0.597382950    -0.114230330 
H27 H    -0.079972720     0.709172820    -0.114288930 
H28 H     0.265521640     0.558582800    -0.133813630 
H29 H     0.365355130     0.671535610    -0.133729280 
H30 H    -0.090527810     0.588702310    -0.157926880 
H31 H    -0.295513100     0.670143050    -0.180432670 
H32 H    -0.587724060     0.724197940    -0.204931270 
H33 H    -0.745696520     0.849543810    -0.226143830 
H34 H    -0.178884430     1.022615370    -0.193166210 
H35 H    -0.021935410     0.898084670    -0.172108530 
H36 H    -0.566343710     1.135683840    -0.233016380 
H37 H    -0.503106500     1.123010140    -0.206887100 
H38 H    -0.220608320     1.095906240    -0.224369410 

#END
data_-143.170_g26a_fchk_15_16991_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 4.6557
_cell_length_b 14.9823
_cell_length_c 65.3176
_cell_angle_alpha 90.0
_cell_angle_beta 90.2822
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.314101920     1.377418520     0.117287880 
C2 C     0.165705120     1.390774370     0.096565650 
C3 C     0.364618420     1.373838570     0.078384690 
C4 C     0.218225860     1.387021530     0.057581340 
C5 C     0.417057930     1.370149600     0.039402590 
C6 C     0.270276070     1.383459970     0.018615500 
C7 C     0.468722180     1.366741340     0.000408890 
C8 C     0.321440430     1.380299920    -0.020351750 
C9 C     0.519418690     1.363850030    -0.038596810 
C10 C     0.371556080     1.377823180    -0.059321980 
C11 C     0.569138240     1.361765150    -0.077604890 
C12 C     0.420748640     1.376354570    -0.098289820 
C13 C     0.618246540     1.360473360    -0.116570090 
C14 C     0.465357320     1.375648690    -0.137080550 
C15 C     0.685342190     1.277330810    -0.162793400 
C16 C     0.961126360     1.200053490    -0.190590650 
C17 C     1.167049340     1.213824790    -0.205879370 
C18 C     1.257488440     1.144463500    -0.218254710 
C19 C     1.144355570     1.058798720    -0.215691790 
C20 C     0.940018360     1.044571040    -0.200510830 
C21 C     0.848439050     1.114486310    -0.188029040 
C22 C     1.156485760     0.905463370    -0.225424400 
N1 N     0.648723910     1.361397470    -0.154754130 
N2 N     0.880299470     1.274400930    -0.178719580 
O1 O     0.553871780     1.212606980    -0.156420580 
O2 O     1.246766010     0.994707160    -0.228645930 
H1 H     0.167495740     1.390054170     0.129984880 
H2 H     0.394559970     1.309126030     0.118879670 
H3 H     0.497501820     1.422527520     0.119014630 
H4 H     0.080891140     1.458921610     0.095580000 
H5 H    -0.020694210     1.346294160     0.095418410 
H6 H     0.551289180     1.418328570     0.079516210 
H7 H     0.449639170     1.305639990     0.079358220 
H8 H     0.133142820     1.455208900     0.056627760 
H9 H     0.031636120     1.342512100     0.056461680 
H10 H     0.603713990     1.414632940     0.040520420 
H11 H     0.502026380     1.301948970     0.040338930 
H12 H     0.185120540     1.451647180     0.017696790 
H13 H     0.083689590     1.338951050     0.017498510 
H14 H     0.655452740     1.411194880     0.001530280 
H15 H     0.553620070     1.298521750     0.001297530 
H16 H     0.236208020     1.448493530    -0.021211670 
H17 H     0.134869160     1.335791740    -0.021476560 
H18 H     0.706261690     1.408252210    -0.037458190 
H19 H     0.604174620     1.295600670    -0.037786140 
H20 H     0.286266230     1.446033640    -0.060093360 
H21 H     0.185039180     1.333315970    -0.060474440 
H22 H     0.756161320     1.406072980    -0.076431420 
H23 H     0.653499580     1.293468880    -0.076924800 
H24 H     0.335637810     1.444644330    -0.098928790 
H25 H     0.234248850     1.331886740    -0.099480310 
H26 H     0.805674530     1.404632700    -0.115539180 
H27 H     0.699248400     1.291911300    -0.116292060 
H28 H     0.380559720     1.443669350    -0.137937660 
H29 H     0.284264130     1.329783400    -0.138489410 
H30 H     0.762176680     1.413354200    -0.160179500 
H31 H     0.976324780     1.332098090    -0.182675520 
H32 H     1.257509430     1.279908970    -0.208096820 
H33 H     1.416244660     1.155115990    -0.230063060 
H34 H     0.848160050     0.979137750    -0.198106870 
H35 H     0.690458580     1.103120570    -0.176300830 
H36 H     1.260132340     0.865906490    -0.237259280 
H37 H     1.223505570     0.880856910    -0.210335680 
H38 H     0.922850160     0.898850240    -0.226924400 

#END
data_-142.405_g26a_fchk_15_4592_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 52.6718
_cell_length_b 4.5414
_cell_length_c 20.0611
_cell_angle_alpha 90.0
_cell_angle_beta 70.6671
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.339688350     1.287644620     0.999707360 
C2 C     0.362594370     1.477431370     1.007156080 
C3 C     0.382161870     1.305101570     1.034307050 
C4 C     0.405153400     1.492969520     1.041946800 
C5 C     0.424709620     1.320808270     1.069128770 
C6 C     0.447669170     1.509194700     1.076793460 
C7 C     0.467237680     1.337666790     1.104053070 
C8 C     0.490136680     1.526841560     1.111801750 
C9 C     0.509712090     1.356219160     1.139214370 
C10 C     0.532515580     1.546498850     1.147140840 
C11 C     0.552076710     1.376909300     1.174796660 
C12 C     0.574746780     1.568552730     1.183037930 
C13 C     0.594278370     1.399310310     1.210799230 
C14 C     0.616733590     1.595584150     1.218749380 
C15 C     0.655637080     1.268289130     1.201350270 
C16 C     0.693020930     0.935097830     1.206381010 
C17 C     0.703490360     0.789305970     1.253218590 
C18 C     0.725426690     0.603367310     1.228641710 
C19 C     0.737602730     0.557187170     1.156131380 
C20 C     0.727285500     0.700904670     1.109276640 
C21 C     0.705174530     0.888690150     1.133991590 
C22 C     0.773472840     0.336263210     1.063896010 
N1 N     0.635559110     1.440452250     1.245409840 
N2 N     0.670703690     1.121347420     1.235836450 
O1 O     0.659634630     1.252424530     1.137931610 
O2 O     0.759148300     0.370018500     1.136973130 
H1 H     0.326013520     1.416129790     0.980356440 
H2 H     0.347495640     1.106203720     0.962677960 
H3 H     0.327848870     1.191279860     1.050489480 
H4 H     0.354211920     1.661474610     1.043082110 
H5 H     0.373744760     1.576443260     0.955970700 
H6 H     0.371023010     1.205890020     1.085544170 
H7 H     0.390562550     1.120814580     0.998381410 
H8 H     0.396733550     1.677259670     1.077841640 
H9 H     0.416281060     1.592057500     0.990697110 
H10 H     0.413587080     1.221623430     1.120370540 
H11 H     0.433152240     1.136629950     1.033224960 
H12 H     0.439212200     1.693488240     1.112651760 
H13 H     0.458793770     1.608275890     1.025542380 
H14 H     0.456114790     1.238362580     1.155281160 
H15 H     0.475736700     1.153605510     1.068166020 
H16 H     0.481615370     1.711110740     1.147608350 
H17 H     0.501269500     1.625924010     1.060559190 
H18 H     0.498576680     1.256703990     1.190408150 
H19 H     0.518303560     1.172374830     1.103352280 
H20 H     0.523895360     1.730690520     1.182881430 
H21 H     0.543677760     1.645582720     1.095927460 
H22 H     0.540915200     1.277024660     1.225921670 
H23 H     0.560824910     1.193573060     1.138959440 
H24 H     0.565966010     1.752476380     1.218747780 
H25 H     0.585944210     1.667749560     1.131883040 
H26 H     0.583290510     1.299081620     1.261987400 
H27 H     0.603561320     1.219264790     1.174699100 
H28 H     0.608229850     1.779189540     1.254491040 
H29 H     0.628308320     1.688148420     1.167489510 
H30 H     0.632561060     1.446937070     1.297596260 
H31 H     0.665552870     1.150874830     1.288423760 
H32 H     0.694294910     0.822320350     1.309742570 
H33 H     0.733516660     0.491046210     1.264791430 
H34 H     0.736209060     0.670061810     1.052859150 
H35 H     0.697261320     0.999196760     1.097532750 
H36 H     0.789643480     0.181287630     1.060302510 
H37 H     0.760612090     0.246761840     1.035579050 
H38 H     0.782117750     0.545557960     1.039586230 

#END
data_-141.862_g26a_fchk_2_13492_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 26.3471
_cell_length_b 4.508
_cell_length_c 10.0506
_cell_angle_alpha 75.7759
_cell_angle_beta 83.3564
_cell_angle_gamma 75.711
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.795869490     0.986238090     0.626838330 
C2 C     0.755991760     0.811704360     0.713418420 
C3 C     0.715512210     1.014448180     0.795712110 
C4 C     0.675435220     0.842026760     0.882680720 
C5 C     0.634981390     1.044574430     0.965027270 
C6 C     0.594976910     0.871561780     1.052023770 
C7 C     0.554514160     1.073443040     1.134617130 
C8 C     0.514643760     0.899511230     1.221720780 
C9 C     0.474189610     1.100421530     1.304726570 
C10 C     0.434528810     0.925180990     1.392076200 
C11 C     0.394128440     1.124948320     1.475638850 
C12 C     0.354758190     0.948061600     1.563447200 
C13 C     0.314423820     1.147412030     1.647187580 
C14 C     0.275554370     0.965396000     1.734378890 
C15 C     0.192865070     1.352740500     1.757817600 
C16 C     0.113690780     1.744626860     1.821438420 
C17 C     0.093182200     1.921825340     1.920225170 
C18 C     0.046109410     2.142709400     1.903770260 
C19 C     0.018005720     2.193501620     1.787406420 
C20 C     0.038177470     2.018697440     1.688701250 
C21 C     0.085630610     1.795654830     1.705223100 
C22 C    -0.060671580     2.450026190     1.672367340 
N1 N     0.236839890     1.149081100     1.815692870 
N2 N     0.161764020     1.523857680     1.846471520 
O1 O     0.182676160     1.374183310     1.639887740 
O2 O    -0.028054600     2.416226840     1.780354530 
H1 H     0.824315880     0.836063600     0.569374950 
H2 H     0.776386010     1.192669040     0.552616390 
H3 H     0.817683130     1.067647010     0.691655030 
H4 H     0.776608070     0.601963570     0.784364940 
H5 H     0.735545300     0.726711700     0.646470150 
H6 H     0.735933580     1.099659720     0.862770650 
H7 H     0.694855940     1.224469220     0.724784110 
H8 H     0.696127630     0.631983240     0.953503190 
H9 H     0.655032510     0.756934330     0.815558890 
H10 H     0.655372130     1.129776680     1.032135390 
H11 H     0.614247400     1.254527960     0.894250440 
H12 H     0.615739810     0.661474630     1.122687880 
H13 H     0.574579920     0.786473010     0.984891420 
H14 H     0.574902820     1.158773150     1.201685180 
H15 H     0.533674760     1.283338300     1.064015440 
H16 H     0.535528430     0.689379060     1.292130720 
H17 H     0.494231210     0.814429950     1.154624570 
H18 H     0.494597210     1.185964560     1.371676080 
H19 H     0.453177910     1.310194920     1.234409450 
H20 H     0.455600190     0.715020310     1.462118350 
H21 H     0.414060610     0.840129810     1.325106150 
H22 H     0.414577050     1.210860330     1.542353730 
H23 H     0.372827100     1.334368700     1.405783190 
H24 H     0.376131320     0.737995660     1.633031230 
H25 H     0.334225940     0.862925670     1.496686750 
H26 H     0.334533710     1.233889640     1.714394750 
H27 H     0.292158820     1.354021750     1.578365060 
H28 H     0.296390350     0.755996800     1.804633190 
H29 H     0.254160290     0.887757510     1.667617300 
H30 H     0.244505620     1.138714380     1.912715290 
H31 H     0.174109990     1.486819470     1.941626630 
H32 H     0.114461840     1.885780140     2.011296400 
H33 H     0.030267640     2.279270350     1.980065870 
H34 H     0.017466800     2.052108110     1.597430310 
H35 H     0.101079110     1.661188020     1.628536800 
H36 H    -0.094843080     2.635803400     1.685782570 
H37 H    -0.040880350     2.518370610     1.571301520 
H38 H    -0.073351100     2.232978650     1.678079120 

#END
data_-141.730_g26a_fchk_15_21278_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 20.0998
_cell_length_b 4.4828
_cell_length_c 53.5958
_cell_angle_alpha 90.0
_cell_angle_beta 68.0267
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.058994190     0.676522530     0.605044140 
C2 C    -0.000103540     0.859839470     0.625873660 
C3 C    -0.060634400     0.667561870     0.645039850 
C4 C    -0.120031600     0.848822630     0.665957920 
C5 C    -0.180574010     0.656691540     0.685111240 
C6 C    -0.239945190     0.838453370     0.705994480 
C7 C    -0.300604900     0.646898630     0.725153560 
C8 C    -0.359956190     0.829389720     0.745970890 
C9 C    -0.420801990     0.638629260     0.765126620 
C10 C    -0.480161000     0.822099850     0.785839430 
C11 C    -0.541239490     0.632196990     0.804967790 
C12 C    -0.600667290     0.816808740     0.825533680 
C13 C    -0.661796410     0.627178020     0.844628170 
C14 C    -0.720646020     0.816630270     0.864967010 
C15 C    -0.775871500     0.522355150     0.906387290 
C16 C    -0.848246950     0.199221920     0.945390970 
C17 C    -0.907635450     0.007204980     0.954574380 
C18 C    -0.925115720    -0.145436300     0.978622390 
C19 C    -0.883497550    -0.110691090     0.994279930 
C20 C    -0.824339080     0.079333670     0.985264850 
C21 C    -0.806681630     0.233611010     0.961023980 
C22 C    -0.866767630    -0.228524500     1.034923300 
N1 N    -0.779705630     0.641905400     0.883326350 
N2 N    -0.834398920     0.346843480     0.920734310 
O1 O    -0.725577640     0.571943500     0.913323700 
O2 O    -0.905019760    -0.270444970     1.017700840 
H1 H     0.101420130     0.819206530     0.591612960 
H2 H     0.083700990     0.521588790     0.614812330 
H3 H     0.037469570     0.544342280     0.592616050 
H4 H    -0.022668620     1.018184210     0.615566060 
H5 H     0.023126010     0.994977950     0.637630530 
H6 H    -0.083930770     0.532186510     0.633293770 
H7 H    -0.038099570     0.508972760     0.655366550 
H8 H    -0.142498300     1.007437700     0.655613560 
H9 H    -0.096696930     0.984084030     0.677694280 
H10 H    -0.203908700     0.521338920     0.673380670 
H11 H    -0.158148230     0.498193740     0.695477260 
H12 H    -0.262301870     0.997099420     0.695615240 
H13 H    -0.216602770     0.973709110     0.717727950 
H14 H    -0.323922380     0.511436600     0.713423780 
H15 H    -0.278312920     0.488503540     0.735573020 
H16 H    -0.382132410     0.988050900     0.735531030 
H17 H    -0.336638610     0.964640300     0.757712050 
H18 H    -0.444055270     0.502981650     0.753387010 
H19 H    -0.398727670     0.480429460     0.775633580 
H20 H    -0.502071410     0.980734660     0.775306210 
H21 H    -0.456930800     0.957329840     0.797608150 
H22 H    -0.564363550     0.496230690     0.793207190 
H23 H    -0.519521640     0.474480840     0.815622800 
H24 H    -0.622214870     0.975203960     0.814847460 
H25 H    -0.577567590     0.952108280     0.837334110 
H26 H    -0.685322900     0.490816380     0.833035930 
H27 H    -0.641009090     0.472916260     0.855789470 
H28 H    -0.742776700     0.974674510     0.854550100 
H29 H    -0.698018600     0.945367830     0.877175810 
H30 H    -0.821477760     0.594721440     0.877971540 
H31 H    -0.872775710     0.321352480     0.913055320 
H32 H    -0.940597290    -0.022763480     0.942682290 
H33 H    -0.970980860    -0.293437630     0.985716830 
H34 H    -0.790975070     0.111278180     0.996870480 
H35 H    -0.760843860     0.380193210     0.954132660 
H36 H    -0.892374880    -0.373221420     1.052186550 
H37 H    -0.810266740    -0.292218930     1.025047170 
H38 H    -0.869895560     0.003299460     1.041777210 

#END
data_-141.163_g26a_fchk_5_12203_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,-z
_cell_length_a 7.622
_cell_length_b 7.5592
_cell_length_c 40.4676
_cell_angle_alpha 90.0
_cell_angle_beta 104.3078
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.300073790     1.188212310     0.022308330 
C2 C     0.441418380     1.131128860     0.054380310 
C3 C     0.417896520     0.939370220     0.064657390 
C4 C     0.558635610     0.880950400     0.096714590 
C5 C     0.535096880     0.689292870     0.107008010 
C6 C     0.675877020     0.631223460     0.139091430 
C7 C     0.652517070     0.439680980     0.149468470 
C8 C     0.793262310     0.382173370     0.181600710 
C9 C     0.770069920     0.190820730     0.192105640 
C10 C     0.910656910     0.134111920     0.224321300 
C11 C     0.887494700    -0.056957210     0.234982530 
C12 C     1.027717640    -0.112669220     0.267325830 
C13 C     1.004448680    -0.303527910     0.278031830 
C14 C     1.145901120    -0.356099160     0.310467570 
C15 C     1.061887480    -0.571073330     0.349576690 
C16 C     1.001455820    -0.829092940     0.384283510 
C17 C     1.017486520    -1.013549200     0.387528200 
C18 C     0.960177520    -1.102543290     0.412842700 
C19 C     0.884871750    -1.009298490     0.435807490 
C20 C     0.868777780    -0.825973990     0.432777960 
C21 C     0.926392470    -0.736062060     0.407239990 
C22 C     0.740816690    -1.021472380     0.481783230 
N1 N     1.126447740    -0.536946730     0.321342500 
N2 N     1.062564100    -0.749027500     0.357717710 
O1 O     1.007891580    -0.453875080     0.365337650 
O2 O     0.832165320    -1.108712730     0.459888950 
H1 H     0.319838220     1.325571250     0.015583920 
H2 H     0.307051040     1.105493930     0.000475550 
H3 H     0.162945610     1.176584960     0.025938490 
H4 H     0.434612840     1.218781290     0.075616460 
H5 H     0.577496120     1.147786050     0.050338130 
H6 H     0.281727470     0.922535460     0.068711490 
H7 H     0.424679890     0.851526530     0.043415510 
H8 H     0.551821030     0.968922170     0.117932600 
H9 H     0.694735130     0.897808200     0.092639240 
H10 H     0.398990460     0.672376750     0.111076690 
H11 H     0.542043870     0.601247690     0.085810180 
H12 H     0.668973600     0.719424640     0.160271480 
H13 H     0.811964750     0.648096290     0.135013020 
H14 H     0.516382890     0.422731840     0.153523050 
H15 H     0.659688680     0.351363330     0.128323100 
H16 H     0.786180330     0.470751710     0.202717040 
H17 H     0.929369940     0.398995800     0.177531010 
H18 H     0.633855950     0.173885120     0.196123640 
H19 H     0.777621580     0.102067990     0.171047190 
H20 H     0.903270080     0.223244660     0.245341620 
H21 H     1.046835950     0.150754300     0.220282010 
H22 H     0.751136270    -0.073839890     0.238930490 
H23 H     0.895761660    -0.146381010     0.214075420 
H24 H     1.019694690    -0.022749160     0.288207890 
H25 H     1.163994430    -0.096218740     0.263339940 
H26 H     0.868516010    -0.321525910     0.282093400 
H27 H     1.016124750    -0.394383380     0.257628520 
H28 H     1.138721650    -0.267818090     0.331522610 
H29 H     1.281284570    -0.344123150     0.306203820 
H30 H     1.171757480    -0.636044700     0.309058490 
H31 H     1.110460250    -0.834081030     0.342888820 
H32 H     1.075714320    -1.088275960     0.369933040 
H33 H     0.972430910    -1.244907260     0.415327380 
H34 H     0.811227040    -0.749736990     0.450121440 
H35 H     0.913742630    -0.594241140     0.405017940 
H36 H     0.710729140    -1.123112510     0.498636450 
H37 H     0.825884070    -0.919317510     0.497081620 
H38 H     0.613995620    -0.961260200     0.467423780 

#END
data_-140.860_g26a_fchk_18_2576_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 1/2-x,1/2+y,-z
4 -x,-y,+z
_cell_length_a 52.0632
_cell_length_b 9.3254
_cell_length_c 4.582
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.889020890     0.153470380     0.091763760 
C2 C     0.908143210     0.077104800     0.292014000 
C3 C     0.930223570     0.005849030     0.125799160 
C4 C     0.949462410    -0.070848790     0.324147560 
C5 C     0.971530060    -0.142168870     0.158048670 
C6 C     0.990730700    -0.218921880     0.356825590 
C7 C     1.012801960    -0.290496640     0.191266080 
C8 C     1.031934190    -0.367409390     0.390635230 
C9 C     1.054001400    -0.439417840     0.225793080 
C10 C     1.073028960    -0.516661900     0.425920900 
C11 C     1.095071920    -0.589270520     0.261803260 
C12 C     1.113957630    -0.667096270     0.462755680 
C13 C     1.135969330    -0.739913650     0.298828560 
C14 C     1.154569690    -0.817278590     0.504194520 
C15 C     1.200658330    -0.846358620     0.400629050 
C16 C     1.245187190    -0.904232860     0.225657050 
C17 C     1.258986720    -0.989817280     0.028600800 
C18 C     1.285499020    -0.982996570     0.013746330 
C19 C     1.299078320    -0.889843600     0.196228030 
C20 C     1.285496570    -0.804303330     0.392247040 
C21 C     1.258757000    -0.811159980     0.407620090 
C22 C     1.339753930    -0.801104850     0.352972240 
N1 N     1.175657700    -0.888155940     0.353863610 
N2 N     1.218232780    -0.918240340     0.227305780 
O1 O     1.206400970    -0.755547450     0.581155960 
O2 O     1.325200800    -0.890768610     0.165695510 
H1 H     0.873454510     0.203152930     0.215922370 
H2 H     0.898484850     0.237852660    -0.034675850 
H3 H     0.880385950     0.078396290    -0.063384090 
H4 H     0.898061820    -0.004267910     0.421302480 
H5 H     0.916067280     0.153914520     0.449232910 
H6 H     0.922314880    -0.071066500    -0.031645550 
H7 H     0.940326270     0.087216800    -0.003698730 
H8 H     0.939340600    -0.152119370     0.453655390 
H9 H     0.957362030     0.006126230     0.481473920 
H10 H     0.963636680    -0.219125280     0.000644430 
H11 H     0.981671710    -0.060931320     0.028683070 
H12 H     0.980572440    -0.300052330     0.486327490 
H13 H     0.998627460    -0.141937900     0.514143170 
H14 H     1.004909800    -0.367410430     0.033761590 
H15 H     1.022996170    -0.209404530     0.062063110 
H16 H     1.021713510    -0.448317970     0.520086870 
H17 H     1.039839000    -0.290457580     0.547955610 
H18 H     1.046099780    -0.516214580     0.068107040 
H19 H     1.064281290    -0.358561730     0.096882900 
H20 H     1.062713230    -0.597253040     0.555244110 
H21 H     1.080962540    -0.439821920     0.583249580 
H22 H     1.087149510    -0.665836880     0.103802600 
H23 H     1.105494480    -0.508793680     0.133539490 
H24 H     1.103491670    -0.747316180     0.591661160 
H25 H     1.121924570    -0.590452190     0.620176910 
H26 H     1.128220070    -0.816873110     0.140649670 
H27 H     1.146846030    -0.660177570     0.174585280 
H28 H     1.144374740    -0.898007130     0.633101520 
H29 H     1.162999750    -0.740321970     0.655886800 
H30 H     1.171471220    -0.962256590     0.201504430 
H31 H     1.211276140    -0.991095800     0.085489500 
H32 H     1.248772980    -1.062810410    -0.115029860 
H33 H     1.296147130    -1.049130130    -0.138182650 
H34 H     1.295393640    -0.731021640     0.536480050 
H35 H     1.248340960    -0.744708560     0.559497710 
H36 H     1.359780170    -0.818285350     0.294172270 
H37 H     1.334910730    -0.687733320     0.321923270 
H38 H     1.336931420    -0.829629960     0.582825020 

#END
data_-140.694_g26a_fchk_15_4627_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 49.2426
_cell_length_b 4.2432
_cell_length_c 21.1102
_cell_angle_alpha 90.0
_cell_angle_beta 79.6006
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.387861610     0.647425600     0.603317590 
C2 C     0.400139330     0.550199370     0.534304740 
C3 C     0.429749000     0.426821050     0.527105690 
C4 C     0.442222750     0.328914890     0.458241790 
C5 C     0.471828830     0.205742640     0.451018950 
C6 C     0.484269370     0.108275770     0.382101780 
C7 C     0.513888120    -0.014619190     0.374723640 
C8 C     0.526285330    -0.111216220     0.305727150 
C9 C     0.555928880    -0.233532050     0.298128180 
C10 C     0.568278210    -0.328682490     0.229015630 
C11 C     0.597957500    -0.450004400     0.221173660 
C12 C     0.610269100    -0.543018250     0.151908130 
C13 C     0.639950660    -0.663765770     0.144012240 
C14 C     0.651841190    -0.754653940     0.074342180 
C15 C     0.699050420    -0.731290720     0.097319250 
C16 C     0.749228700    -0.773449680     0.105012050 
C17 C     0.774474990    -0.899589480     0.073910210 
C18 C     0.798822170    -0.832663720     0.095178070 
C19 C     0.798661410    -0.636406680     0.148419620 
C20 C     0.773662660    -0.509785280     0.179504840 
C21 C     0.749087250    -0.577299200     0.158135680 
C22 C     0.823994860    -0.429891430     0.225252420 
N1 N     0.680129420    -0.869079160     0.065359980 
N2 N     0.725398630    -0.854517210     0.080364760 
O1 O     0.692706840    -0.523134720     0.137176920 
O2 O     0.823712820    -0.584327400     0.165827750 
H1 H     0.366750860     0.734928590     0.607060790 
H2 H     0.387355940     0.448146160     0.636418980 
H3 H     0.400135390     0.834040400     0.620226600 
H4 H     0.399758730     0.751668320     0.501950980 
H5 H     0.387134770     0.368363210     0.518063800 
H6 H     0.442786750     0.608646500     0.543347570 
H7 H     0.430151670     0.225152280     0.559475770 
H8 H     0.441795600     0.530648400     0.425909290 
H9 H     0.429177060     0.147106240     0.442042080 
H10 H     0.484878990     0.387467420     0.467230960 
H11 H     0.472265350     0.003850620     0.483301880 
H12 H     0.483802790     0.310191560     0.349834740 
H13 H     0.471221230    -0.073515710     0.365908170 
H14 H     0.526937640     0.167041280     0.390961740 
H15 H     0.514366910    -0.216851000     0.406898730 
H16 H     0.525755480     0.091036070     0.273574940 
H17 H     0.513246010    -0.293046460     0.289518540 
H18 H     0.568965200    -0.051923220     0.314433060 
H19 H     0.556475200    -0.436319930     0.330122960 
H20 H     0.567657090    -0.125890300     0.197042470 
H21 H     0.555270010    -0.510655070     0.212754440 
H22 H     0.610964720    -0.268476940     0.237604480 
H23 H     0.598607280    -0.653740110     0.252843960 
H24 H     0.609531130    -0.339198910     0.120224750 
H25 H     0.597302320    -0.725072770     0.135556310 
H26 H     0.653117280    -0.483449230     0.160230930 
H27 H     0.640778660    -0.871171280     0.174419310 
H28 H     0.651325640    -0.552874630     0.042303150 
H29 H     0.639349300    -0.941561440     0.058645530 
H30 H     0.686010400    -1.037997050     0.032275150 
H31 H     0.728233740    -1.025927690     0.046793700 
H32 H     0.775016370    -1.052467150     0.032446860 
H33 H     0.818300730    -0.930219120     0.071201080 
H34 H     0.772795410    -0.356980770     0.220815280 
H35 H     0.729807710    -0.478616370     0.182324730 
H36 H     0.845612220    -0.413463020     0.229899700 
H37 H     0.815222790    -0.192273600     0.225779010 
H38 H     0.812668630    -0.564628880     0.265903820 

#END
data_-140.628_g26a_fchk_5_15078_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,-z
_cell_length_a 15.6471
_cell_length_b 4.4654
_cell_length_c 36.5765
_cell_angle_alpha 90.0
_cell_angle_beta 63.1458
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.056894790     0.382448720     0.757203420 
C2 C     0.029784430     0.192491340     0.795674290 
C3 C    -0.002092540     0.379991360     0.834688540 
C4 C    -0.029372660     0.192072370     0.873351330 
C5 C    -0.061187720     0.379444300     0.912355810 
C6 C    -0.088340680     0.191057630     0.950973530 
C7 C    -0.120068990     0.377881520     0.990018110 
C8 C    -0.146965960     0.188837000     1.028560840 
C9 C    -0.178513550     0.374925790     1.067657250 
C10 C    -0.204980300     0.185026260     1.106094320 
C11 C    -0.236219190     0.370358090     1.145233170 
C12 C    -0.262044330     0.179508980     1.183541100 
C13 C    -0.293108370     0.364623010     1.222661120 
C14 C    -0.318366880     0.169033790     1.260538900 
C15 C    -0.439067620     0.453331480     1.318507920 
C16 C    -0.538665810     0.767242520     1.380203130 
C17 C    -0.533539820     0.951404920     1.410228700 
C18 C    -0.613822040     1.097734920     1.438882210 
C19 C    -0.702073160     1.064355440     1.438352960 
C20 C    -0.707690710     0.882131980     1.408570270 
C21 C    -0.626788420     0.734219360     1.379671940 
C22 C    -0.867475050     1.195948500     1.467771670 
N1 N    -0.347772200     0.339508420     1.298207320 
N2 N    -0.453579590     0.625666530     1.352292090 
O1 O    -0.500615200     0.401694470     1.307537180 
O2 O    -0.777207290     1.217497040     1.467885970 
H1 H     0.079483760     0.243120720     0.729824110 
H2 H    -0.003728570     0.518670810     0.759792550 
H3 H     0.115816350     0.535124140     0.752301840 
H4 H     0.090904890     0.052862340     0.791857940 
H5 H    -0.027824900     0.037141170     0.799358190 
H6 H     0.055519760     0.535585100     0.831037550 
H7 H    -0.063269540     0.519851100     0.838534530 
H8 H     0.031819340     0.052187240     0.869466210 
H9 H    -0.086981420     0.036592520     0.876981100 
H10 H    -0.003603610     0.535008570     0.908732190 
H11 H    -0.122426010     0.519199180     0.916274790 
H12 H    -0.027100850     0.051149870     0.947018920 
H13 H    -0.145944680     0.035584530     0.954598010 
H14 H    -0.062504540     0.533549120     0.986390350 
H15 H    -0.181402310     0.517510960     0.994031870 
H16 H    -0.085636040     0.048931650     1.024489070 
H17 H    -0.204580060     0.033367390     1.032200830 
H18 H    -0.120967340     0.530771370     1.064000320 
H19 H    -0.240002720     0.514322390     1.071825590 
H20 H    -0.143503890     0.045177800     1.101846130 
H21 H    -0.262631680     0.029570800     1.109789330 
H22 H    -0.178703310     0.526508550     1.141516060 
H23 H    -0.297976160     0.509204230     1.149658660 
H24 H    -0.200278500     0.039971090     1.179027720 
H25 H    -0.319712680     0.023985430     1.187308450 
H26 H    -0.235929810     0.521090790     1.219239880 
H27 H    -0.355944000     0.499704530     1.227866440 
H28 H    -0.257177980     0.029704750     1.256478320 
H29 H    -0.377419870     0.019728850     1.264890570 
H30 H    -0.298240160     0.388307020     1.307710630 
H31 H    -0.397449110     0.653313300     1.358426870 
H32 H    -0.465594590     0.980196900     1.411120990 
H33 H    -0.609870440     1.239668880     1.462071140 
H34 H    -0.774812600     0.851460230     1.407268140 
H35 H    -0.631501610     0.593665000     1.356683710 
H36 H    -0.916557540     1.331228220     1.493453030 
H37 H    -0.864755550     1.284077260     1.439294380 
H38 H    -0.893252060     0.964149720     1.472031340 

#END
data_-139.799_g26a_fchk_5_15656_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,-z
_cell_length_a 66.4908
_cell_length_b 7.7688
_cell_length_c 4.4978
_cell_angle_alpha 90.0
_cell_angle_beta 102.3295
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.368939110     0.540792280     0.035974800 
C2 C     0.349142280     0.537240020    -0.210633430 
C3 C     0.329629760     0.542847010    -0.081656340 
C4 C     0.309738600     0.539349530    -0.326517200 
C5 C     0.290229000     0.544847580    -0.197658360 
C6 C     0.270356940     0.541163310    -0.442926930 
C7 C     0.250822260     0.546428040    -0.314684850 
C8 C     0.230980540     0.542344670    -0.560516240 
C9 C     0.211411040     0.547171180    -0.433104450 
C10 C     0.191609680     0.542386980    -0.679663890 
C11 C     0.172005840     0.546534220    -0.553101760 
C12 C     0.152249850     0.540662900    -0.800467010 
C13 C     0.132649690     0.544489560    -0.674109190 
C14 C     0.113098380     0.538124340    -0.925579410 
C15 C     0.088143000     0.398867280    -0.670245960 
C16 C     0.058849400     0.301091040    -0.439694610 
C17 C     0.039151980     0.347150270    -0.401632490 
C18 C     0.027975630     0.239328840    -0.252867700 
C19 C     0.036192280     0.081352260    -0.137319480 
C20 C     0.055740380     0.034582200    -0.174703380 
C21 C     0.067036550     0.143272770    -0.324489320 
C22 C     0.031230100    -0.181762600     0.110370640 
N1 N     0.094199330     0.540790970    -0.811698670 
N2 N     0.069204400     0.418684560    -0.592947850 
O1 O     0.098793820     0.269868580    -0.617018270 
O2 O     0.024010150    -0.016148750     0.006124800 
H1 H     0.382616510     0.536412500    -0.062273650 
H2 H     0.369835930     0.657894820     0.173421250 
H3 H     0.369648530     0.430887700     0.190061270 
H4 H     0.348879700     0.420971620    -0.349607340 
H5 H     0.349034130     0.646341340    -0.365610850 
H6 H     0.329720500     0.433691030     0.073512100 
H7 H     0.329878760     0.659184160     0.057506630 
H8 H     0.309509970     0.423040790    -0.465645820 
H9 H     0.309659210     0.648530200    -0.481539440 
H10 H     0.290306070     0.435706940    -0.042559250 
H11 H     0.290441050     0.661197920    -0.058707830 
H12 H     0.270163700     0.424862780    -0.581974350 
H13 H     0.270280200     0.650342410    -0.597934680 
H14 H     0.250902350     0.437332900    -0.159474470 
H15 H     0.250986910     0.662826370    -0.175997950 
H16 H     0.230846700     0.426039260    -0.699387170 
H17 H     0.230895880     0.651520760    -0.715543730 
H18 H     0.211507540     0.438156080    -0.277669560 
H19 H     0.211498350     0.663649360    -0.294875640 
H20 H     0.191564970     0.426052670    -0.818217050 
H21 H     0.191496970     0.651555400    -0.834759480 
H22 H     0.172135870     0.437669590    -0.397266460 
H23 H     0.171964650     0.663162090    -0.415796600 
H24 H     0.152336920     0.424147510    -0.938325000 
H25 H     0.152099020     0.649757240    -0.955741630 
H26 H     0.132633920     0.435856500    -0.518386930 
H27 H     0.132225910     0.662099770    -0.541666770 
H28 H     0.112964150     0.422083920    -1.063880260 
H29 H     0.112690900     0.649114500    -1.075438580 
H30 H     0.085006530     0.644683930    -0.855379830 
H31 H     0.061762520     0.530941710    -0.648481990 
H32 H     0.032506470     0.469342760    -0.489947900 
H33 H     0.012781280     0.274949650    -0.223308190 
H34 H     0.062555460    -0.086715780    -0.088258140 
H35 H     0.082145230     0.106452390    -0.352966680 
H36 H     0.019449300    -0.236434090     0.217155290 
H37 H     0.033253820    -0.264826100    -0.078065380 
H38 H     0.045811380    -0.174235760     0.278384950 

#END
data_-139.592_g26a_fchk_18_5194_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 1/2-x,1/2+y,-z
4 -x,-y,+z
_cell_length_a 12.8136
_cell_length_b 39.1671
_cell_length_c 4.5495
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.334796460     0.616477570     0.749161700 
C2 C     0.407427420     0.594163010     0.563922310 
C3 C     0.486908940     0.574353450     0.748336030 
C4 C     0.559947930     0.551949690     0.565096790 
C5 C     0.639456290     0.532158450     0.749363710 
C6 C     0.712478830     0.509798800     0.565630580 
C7 C     0.792158130     0.490010980     0.749317240 
C8 C     0.865196660     0.467737640     0.564861870 
C9 C     0.945158250     0.447972040     0.747745040 
C10 C     1.018284180     0.425839430     0.562314290 
C11 C     1.098618590     0.406132820     0.744324190 
C12 C     1.171958670     0.384203740     0.557748060 
C13 C     1.252395920     0.364547410     0.739481110 
C14 C     1.324985770     0.342865550     0.548180520 
C15 C     1.373927550     0.297143500     0.892666090 
C16 C     1.454229590     0.255302920     1.244651400 
C17 C     1.549758560     0.244545160     1.363538560 
C18 C     1.554811950     0.217146940     1.554932970 
C19 C     1.464033020     0.199609750     1.633799180 
C20 C     1.368807890     0.210185380     1.516941730 
C21 C     1.363610500     0.237798530     1.323688630 
C22 C     1.387109940     0.153904820     1.903830180 
N1 N     1.402696580     0.323990800     0.715393990 
N2 N     1.456110710     0.283348860     1.050620040 
O1 O     1.284293560     0.286643930     0.903752010 
O2 O     1.476903360     0.172895800     1.823819440 
H1 H     0.279016480     0.630356090     0.612108300 
H2 H     0.290249280     0.601024780     0.905439850 
H3 H     0.379110300     0.635295550     0.875804760 
H4 H     0.449080560     0.610131620     0.404473420 
H5 H     0.361002250     0.576080260     0.434493510 
H6 H     0.533430430     0.592428250     0.877991700 
H7 H     0.445289180     0.558362180     0.908024020 
H8 H     0.601476750     0.567958050     0.405389200 
H9 H     0.513376290     0.533884280     0.435556750 
H10 H     0.686024110     0.550216150     0.878994140 
H11 H     0.597972010     0.516124940     0.908953230 
H12 H     0.753866040     0.525843330     0.405901530 
H13 H     0.665897640     0.491736510     0.436096710 
H14 H     0.838699780     0.508065970     0.879057420 
H15 H     0.750835990     0.473918610     0.908795570 
H16 H     0.906354620     0.483846090     0.405132450 
H17 H     0.818647570     0.449667410     0.435331030 
H18 H     0.991610560     0.466034080     0.877674290 
H19 H     0.904099150     0.431783190     0.907014830 
H20 H     1.059108180     0.442047530     0.402631900 
H21 H     0.971847650     0.407740690     0.432796530 
H22 H     1.144891610     0.424210660     0.874579830 
H23 H     1.057985040     0.389779480     0.903091480 
H24 H     1.212349190     0.400582270     0.398327990 
H25 H     1.125697000     0.366075030     0.428150160 
H26 H     1.299156640     0.382438260     0.870096840 
H27 H     1.212757470     0.347603080     0.894788790 
H28 H     1.366060550     0.358939000     0.389066030 
H29 H     1.279180440     0.324236510     0.425031410 
H30 H     1.476977610     0.332316280     0.712972660 
H31 H     1.526872520     0.294133050     1.024158600 
H32 H     1.621125130     0.257859650     1.304949620 
H33 H     1.628549850     0.208831590     1.646488160 
H34 H     1.297076480     0.197203640     1.573388630 
H35 H     1.289753370     0.245889980     1.234044360 
H36 H     1.414251680     0.134069480     2.053042860 
H37 H     1.329499100     0.169890640     2.016898830 
H38 H     1.350402400     0.142001780     1.711831710 

#END
data_-138.542_g26a_fchk_62_18694_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,1/2-z
3 -x,1/2+y,-z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,1/2+z
7 +x,1/2-y,+z
8 1/2+x,+y,1/2-z
_cell_length_a 15.3701
_cell_length_b 65.7202
_cell_length_c 4.5104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.626581260     0.617701570     0.655622400 
C2 C     0.631379720     0.597842920     0.479444350 
C3 C     0.624862690     0.578870270     0.675045940 
C4 C     0.629595590     0.558921710     0.500928880 
C5 C     0.623135850     0.539951710     0.696414180 
C6 C     0.627971610     0.520021220     0.521844680 
C7 C     0.621638830     0.501025530     0.716828020 
C8 C     0.626688170     0.481123870     0.541635050 
C9 C     0.620588850     0.462092500     0.735959440 
C10 C     0.626007630     0.442229190     0.559975460 
C11 C     0.620263750     0.423162540     0.753645330 
C12 C     0.626248610     0.403342280     0.576816250 
C13 C     0.620670390     0.384278830     0.770303830 
C14 C     0.626992320     0.364653060     0.588730320 
C15 C     0.544184300     0.339698450     0.881760410 
C16 C     0.484906940     0.311906940     1.206289120 
C17 C     0.509264040     0.295247720     1.382204840 
C18 C     0.447645560     0.283770200     1.530603920 
C19 C     0.359380480     0.288638930     1.507653920 
C20 C     0.334694780     0.305190350     1.333665940 
C21 C     0.396771440     0.316769710     1.183677500 
C22 C     0.213517670     0.281132790     1.650606830 
N1 N     0.622272060     0.346258490     0.767486570 
N2 N     0.551775670     0.322731380     1.061909250 
O1 O     0.475408470     0.348115320     0.824222050 
O2 O     0.303452460     0.276414390     1.662043090 
H1 H     0.631516380     0.630987830     0.510759150 
H2 H     0.565108730     0.618831720     0.776936900 
H3 H     0.679324140     0.618621230     0.818059460 
H4 H     0.692503660     0.597333990     0.354316550 
H5 H     0.579100620     0.597512710     0.314114510 
H6 H     0.677164730     0.579183650     0.840632190 
H7 H     0.563699720     0.579366150     0.800401870 
H8 H     0.690745060     0.558445900     0.375533370 
H9 H     0.577279290     0.558619720     0.335446110 
H10 H     0.675430410     0.540251560     0.861977300 
H11 H     0.561967390     0.540410940     0.821685780 
H12 H     0.689117990     0.519580340     0.396406020 
H13 H     0.575656040     0.519721870     0.356367250 
H14 H     0.673908670     0.501328540     0.882486580 
H15 H     0.560447530     0.501437740     0.841997080 
H16 H     0.687838060     0.480741670     0.416165940 
H17 H     0.574373890     0.480816680     0.376165850 
H18 H     0.672815450     0.462412010     0.901775890 
H19 H     0.559359970     0.462427980     0.860933160 
H20 H     0.687172730     0.441935110     0.434515670 
H21 H     0.573696460     0.441894320     0.394536840 
H22 H     0.672409660     0.423515700     0.919727790 
H23 H     0.558966780     0.423370240     0.878131040 
H24 H     0.687501990     0.403178820     0.451609070 
H25 H     0.573975320     0.402969640     0.411339840 
H26 H     0.672691160     0.384488530     0.936756430 
H27 H     0.558937640     0.384102850     0.891177680 
H28 H     0.687998310     0.364271450     0.463801950 
H29 H     0.573647570     0.364037270     0.429335410 
H30 H     0.678054060     0.339143090     0.821164280 
H31 H     0.611964330     0.317072530     1.093956400 
H32 H     0.577532130     0.291234370     1.402842030 
H33 H     0.466446970     0.270904890     1.666172880 
H34 H     0.266987080     0.309384360     1.311153870 
H35 H     0.377343550     0.329564490     1.049521440 
H36 H     0.181049540     0.269665990     1.785173010 
H37 H     0.200138790     0.296248320     1.742676090 
H38 H     0.188483060     0.280407300     1.423287840 

#END
data_-138.470_g26a_fchk_33_14365_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 12.7838
_cell_length_b 37.7183
_cell_length_c 4.7171
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.789187840     0.370556460     0.694897080 
C2 C     0.853858430     0.396594620     0.871267660 
C3 C     0.945089840     0.412860710     0.706176560 
C4 C     1.010284440     0.438949130     0.880725140 
C5 C     1.101532080     0.455199120     0.715807340 
C6 C     1.166677880     0.481252040     0.890870500 
C7 C     1.258062700     0.497508800     0.726575990 
C8 C     1.323173970     0.523487150     0.902437080 
C9 C     1.414791610     0.539735080     0.739047820 
C10 C     1.479918260     0.565587620     0.916045980 
C11 C     1.571849790     0.581789870     0.753713960 
C12 C     1.637099980     0.607454810     0.932144720 
C13 C     1.729111780     0.623610310     0.770182250 
C14 C     1.793330820     0.649117840     0.953055440 
C15 C     1.866835800     0.691074700     0.606718580 
C16 C     1.970807530     0.728191320     0.266071370 
C17 C     2.069500130     0.731350330     0.138452860 
C18 C     2.088675150     0.756940980    -0.065125400 
C19 C     2.009324000     0.780241720    -0.147810790 
C20 C     1.911013450     0.777226910    -0.022289590 
C21 C     1.891590600     0.751446130     0.183235230 
C22 C     1.959260360     0.829969970    -0.428857100 
N1 N     1.881754430     0.664769610     0.804594020 
N2 N     1.958073250     0.701489640     0.472221540 
O1 O     1.780887340     0.703917770     0.559863200 
O2 O     2.035765380     0.804611200    -0.350057890 
H1 H     0.724749810     0.359313290     0.817904520 
H2 H     0.755584090     0.383619900     0.508836120 
H3 H     0.837514670     0.348561650     0.619146510 
H4 H     0.884359420     0.383080780     1.059740520 
H5 H     0.803196230     0.417902200     0.949687380 
H6 H     0.995860710     0.391556300     0.627574410 
H7 H     0.914637780     0.426392920     0.517463760 
H8 H     1.040643240     0.425400300     1.069439590 
H9 H     0.959469010     0.460241960     0.959209250 
H10 H     1.152349630     0.433912480     0.637226580 
H11 H     1.071214170     0.468775780     0.527190370 
H12 H     1.196890720     0.467667370     1.079591420 
H13 H     1.115852940     0.502541590     0.969348780 
H14 H     1.308860660     0.476222930     0.647877300 
H15 H     1.227906760     0.511146970     0.538056690 
H16 H     1.353151710     0.509838310     1.091143090 
H17 H     1.272381980     0.544784600     0.980915970 
H18 H     1.465510540     0.518438850     0.660142230 
H19 H     1.384897040     0.553474660     0.550712160 
H20 H     1.509555250     0.551837670     1.104694020 
H21 H     1.429242050     0.586913400     0.994523770 
H22 H     1.622407010     0.560472170     0.674445170 
H23 H     1.542370170     0.595705280     0.565819850 
H24 H     1.666300360     0.593527640     1.120581410 
H25 H     1.586596300     0.628811840     1.010733880 
H26 H     1.780195230     0.602474430     0.690541180 
H27 H     1.700504670     0.638192660     0.585201640 
H28 H     1.823264170     0.635493430     1.141102180 
H29 H     1.743693690     0.670859920     1.025126710 
H30 H     1.953340710     0.654434940     0.836695320 
H31 H     2.024608790     0.688984180     0.527925520 
H32 H     2.132126320     0.713478570     0.199843810 
H33 H     2.164865100     0.759393100    -0.163436740 
H34 H     1.847854130     0.794807130    -0.081364990 
H35 H     1.815395030     0.749210940     0.279559430 
H36 H     1.995868570     0.846650610    -0.588974860 
H37 H     1.889728460     0.817291750    -0.519488770 
H38 H     1.935764360     0.846410110    -0.248122780 

#END
data_-138.033_g26a_fchk_2_8269_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 11.2491
_cell_length_b 4.6247
_cell_length_c 25.2177
_cell_angle_alpha 83.4169
_cell_angle_beta 60.5122
_cell_angle_gamma 87.9736
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.125284250     0.775125340     0.515602070 
C2 C     0.189582270     0.567125070     0.545538080 
C3 C     0.288868620     0.720398210     0.558867940 
C4 C     0.353755000     0.514221260     0.588819590 
C5 C     0.453078990     0.667342000     0.602118030 
C6 C     0.517943330     0.460687520     0.632013180 
C7 C     0.617449180     0.613180050     0.645292110 
C8 C     0.682347940     0.405814950     0.675060490 
C9 C     0.782176270     0.557423140     0.688274500 
C10 C     0.847222710     0.349077460     0.717818920 
C11 C     0.947510540     0.499704120     0.730891600 
C12 C     1.012899940     0.290171330     0.760088080 
C13 C     1.113336540     0.440493810     0.773065480 
C14 C     1.177634460     0.226584000     0.802124390 
C15 C     1.229181810     0.524666650     0.863450490 
C16 C     1.323632660     0.827048610     0.911447270 
C17 C     1.444584860     0.954227670     0.902359160 
C18 C     1.443521350     1.125075920     0.944168200 
C19 C     1.320856310     1.174345020     0.996560800 
C20 C     1.200234860     1.049097070     1.005851720 
C21 C     1.201177570     0.876537590     0.963743860 
C22 C     1.209231270     1.388621990     1.090424590 
N1 N     1.274196130     0.363598420     0.814719110 
N2 N     1.333902120     0.655303500     0.866729830 
O1 O     1.108074210     0.544830130     0.900150720 
O2 O     1.330131460     1.345725890     1.035160720 
H1 H     0.055083110     0.660053060     0.506517130 
H2 H     0.067788680     0.942987890     0.545102710 
H3 H     0.203618070     0.885707660     0.471950600 
H4 H     0.243549960     0.397154500     0.515791940 
H5 H     0.108900640     0.454560680     0.588419340 
H6 H     0.369682300     0.833152600     0.515975640 
H7 H     0.234943050     0.890591270     0.588638980 
H8 H     0.407575660     0.344040690     0.559036920 
H9 H     0.272891810     0.401598070     0.631701730 
H10 H     0.533937760     0.780054910     0.559246880 
H11 H     0.399289250     0.837389960     0.631938550 
H12 H     0.571608020     0.290535900     0.602196050 
H13 H     0.437070610     0.348073830     0.674891600 
H14 H     0.698279930     0.726009590     0.602426980 
H15 H     0.563816500     0.783060420     0.675185570 
H16 H     0.735766310     0.235744230     0.645177460 
H17 H     0.601510650     0.293192910     0.717946340 
H18 H     0.862910750     0.670469220     0.645408130 
H19 H     0.728795820     0.727003890     0.718288900 
H20 H     0.900290060     0.179171730     0.687827440 
H21 H     0.766509260     0.236428530     0.760731920 
H22 H     1.028049500     0.613132730     0.688021550 
H23 H     0.894521240     0.668637290     0.761120750 
H24 H     1.065554430     0.120680050     0.729880500 
H25 H     0.932382520     0.177382670     0.803022070 
H26 H     1.194386750     0.554100660     0.730410810 
H27 H     1.060962710     0.605654770     0.804213670 
H28 H     1.230962440     0.057144060     0.772297090 
H29 H     1.097766750     0.119952900     0.845624650 
H30 H     1.374608740     0.353288660     0.784846480 
H31 H     1.430191660     0.623696330     0.833819890 
H32 H     1.540884460     0.918534940     0.861914740 
H33 H     1.536885930     1.223026820     0.937172020 
H34 H     1.103547860     1.082839470     1.045870360 
H35 H     1.107587460     0.780295440     0.971124500 
H36 H     1.238829890     1.528264150     1.114139160 
H37 H     1.131448780     1.496535460     1.081532300 
H38 H     1.166548780     1.182327930     1.119388090 

#END
data_-137.782_g26a_fchk_60_4283_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,+y,1/2-z
4 1/2-x,1/2-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,-y,1/2+z
8 1/2+x,1/2+y,1/2-z
_cell_length_a 61.8293
_cell_length_b 4.6271
_cell_length_c 15.5577
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.625293280     0.998867940     0.867767330 
C2 C     0.603145750     1.146245020     0.867516990 
C3 C     0.584305670     0.932000100     0.871289150 
C4 C     0.562076090     1.077255470     0.871069270 
C5 C     0.543237810     0.863138730     0.874787040 
C6 C     0.521024070     1.008876720     0.874473340 
C7 C     0.502154850     0.795242000     0.878076970 
C8 C     0.479966730     0.941665200     0.877563010 
C9 C     0.461054540     0.728675160     0.880951080 
C10 C     0.438900350     0.875990920     0.880085840 
C11 C     0.419945060     0.663667770     0.883138000 
C12 C     0.397828520     0.811976300     0.881728430 
C13 C     0.378874690     0.599869110     0.884620600 
C14 C     0.356932940     0.753086290     0.882958130 
C15 C     0.332294850     0.428032180     0.960986390 
C16 C     0.304877900     0.071667150     1.015377020 
C17 C     0.287408810    -0.101759660     0.989840440 
C18 C     0.276073800    -0.266157020     1.048896430 
C19 C     0.281904980    -0.262259380     1.135688540 
C20 C     0.299266840    -0.090836520     1.161522250 
C21 C     0.310702490     0.075263570     1.102035180 
C22 C     0.275632060    -0.442253620     1.277116000 
N1 N     0.338591530     0.556259790     0.885247310 
N2 N     0.315486400     0.233074120     0.951149380 
O1 O     0.340769790     0.486197610     1.029728700 
O2 O     0.269744840    -0.431504890     1.189110110 
H1 H     0.638435830     1.156622490     0.864909910 
H2 H     0.627535960     0.869558900     0.925987390 
H3 H     0.627029780     0.853844530     0.812631660 
H4 H     0.601538760     1.279937830     0.809678020 
H5 H     0.602013170     1.294894620     0.922217240 
H6 H     0.585421910     0.783086250     0.816562370 
H7 H     0.585900460     0.798061870     0.929163000 
H8 H     0.560502360     1.211253830     0.813208360 
H9 H     0.560972610     1.226079970     0.925807510 
H10 H     0.544339610     0.714229080     0.820068820 
H11 H     0.544793290     0.729236040     0.932669960 
H12 H     0.519487070     1.142959120     0.816614310 
H13 H     0.519923410     1.157699440     0.929210610 
H14 H     0.503260710     0.646238460     0.823381140 
H15 H     0.503660020     0.661376080     0.935987040 
H16 H     0.478491660     1.075849930     0.819697770 
H17 H     0.478857840     1.090470630     0.932299280 
H18 H     0.462179070     0.579529620     0.826293920 
H19 H     0.462477420     0.594896280     0.938906250 
H20 H     0.437518590     1.010278050     0.822200450 
H21 H     0.437762320     1.024733380     0.934820040 
H22 H     0.421107240     0.514288510     0.828553410 
H23 H     0.421229920     0.530190400     0.941176830 
H24 H     0.396586200     0.946197850     0.823743830 
H25 H     0.396650070     0.960717100     0.936428150 
H26 H     0.379887870     0.449928300     0.830160420 
H27 H     0.379732840     0.469327830     0.943179480 
H28 H     0.355462550     0.886716960     0.825224420 
H29 H     0.355539980     0.895406090     0.938611930 
H30 H     0.331456770     0.501922850     0.829412670 
H31 H     0.309760390     0.202052830     0.891227560 
H32 H     0.282642600    -0.107701590     0.922682960 
H33 H     0.262582440    -0.399813970     1.029189970 
H34 H     0.304215880    -0.082851390     1.228143880 
H35 H     0.324127390     0.207365040     1.122338170 
H36 H     0.264008910    -0.585796390     1.307789900 
H37 H     0.291971210    -0.529537430     1.285709920 
H38 H     0.274725490    -0.228288320     1.307144330 

#END
data_-137.419_g26a_fchk_5_6733_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,-z
_cell_length_a 65.2376
_cell_length_b 7.7972
_cell_length_c 4.5225
_cell_angle_alpha 90.0
_cell_angle_beta 81.1004
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.128102470     0.347571240     0.442804380 
C2 C     0.148143620     0.343679550     0.216980220 
C3 C     0.167716230     0.347087000     0.364925280 
C4 C     0.187851460     0.343233500     0.140935630 
C5 C     0.207421150     0.346743510     0.288746320 
C6 C     0.227537300     0.343054460     0.064308940 
C7 C     0.247132430     0.346773540     0.211501770 
C8 C     0.267218160     0.343451180    -0.013575850 
C9 C     0.286848570     0.347575200     0.132770150 
C10 C     0.306893760     0.344910320    -0.093160710 
C11 C     0.326558860     0.349677850     0.052287560 
C12 C     0.346558360     0.348049970    -0.174628690 
C13 C     0.366219740     0.353126410    -0.029428400 
C14 C     0.386015120     0.351774530    -0.260684990 
C15 C     0.411787380     0.214660670     0.006344890 
C16 C     0.440491900     0.126037040     0.285437490 
C17 C     0.457421150     0.188802930     0.409894970 
C18 C     0.469269670     0.081079990     0.558300920 
C19 C     0.464513470    -0.093495120     0.587088110 
C20 C     0.447694930    -0.156742290     0.464437870 
C21 C     0.435741490    -0.048257930     0.314486180 
C22 C     0.473171720    -0.368131580     0.764092290 
N1 N     0.404976720     0.357337390    -0.128710640 
N2 N     0.429296920     0.244382750     0.137107240 
O1 O     0.403129580     0.075878200     0.005365820 
O2 O     0.477110260    -0.189572920     0.737100560 
H1 H     0.114386650     0.345286000     0.331258840 
H2 H     0.127179360     0.237097800     0.593542740 
H3 H     0.127267700     0.463386040     0.580838990 
H4 H     0.148429620     0.453149160     0.064210200 
H5 H     0.148373490     0.228521180     0.077366120 
H6 H     0.167503790     0.462311030     0.504739040 
H7 H     0.167443850     0.237559680     0.517905250 
H8 H     0.188103360     0.452730630    -0.012026580 
H9 H     0.188052450     0.227989420     0.001259060 
H10 H     0.207222490     0.461951590     0.428506660 
H11 H     0.207186060     0.237200080     0.441553410 
H12 H     0.227753540     0.452540950    -0.088606360 
H13 H     0.227735600     0.227812120    -0.075356050 
H14 H     0.246930680     0.461940770     0.351375510 
H15 H     0.246945180     0.237178980     0.364099940 
H16 H     0.267374540     0.452940100    -0.166374970 
H17 H     0.267424450     0.228212300    -0.153253050 
H18 H     0.286630240     0.462669940     0.272861010 
H19 H     0.286739400     0.237894450     0.284999910 
H20 H     0.306960290     0.454426670    -0.245735690 
H21 H     0.307128300     0.229680880    -0.232878930 
H22 H     0.326306660     0.464634910     0.192762460 
H23 H     0.326579510     0.239829870     0.203746030 
H24 H     0.346491860     0.457754170    -0.326666510 
H25 H     0.346831310     0.232892790    -0.314496790 
H26 H     0.366114400     0.467873350     0.111107580 
H27 H     0.366628180     0.242154830     0.117705850 
H28 H     0.386171710     0.461025220    -0.412883440 
H29 H     0.386544400     0.235014820    -0.394679080 
H30 H     0.412301350     0.470489730    -0.121746430 
H31 H     0.435111950     0.364320410     0.124246040 
H32 H     0.461352320     0.324074290     0.389913400 
H33 H     0.482343520     0.129512490     0.654137900 
H34 H     0.443578220    -0.291081540     0.482725870 
H35 H     0.422741040    -0.097796970     0.220169260 
H36 H     0.484826050    -0.419690150     0.887971670 
H37 H     0.457682250    -0.394310770     0.887995590 
H38 H     0.474692720    -0.430347200     0.544429430 

#END
data_-136.174_g26a_fchk_15_13817_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 71.2524
_cell_length_b 4.6109
_cell_length_c 19.9193
_cell_angle_alpha 90.0
_cell_angle_beta 136.0624
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.013400270     0.696382940     0.190570440 
C2 C     0.026742160     0.532899040     0.166890710 
C3 C     0.033551970     0.728418870     0.124671020 
C4 C     0.046907640     0.566957600     0.100730250 
C5 C     0.053703270     0.762313240     0.058467670 
C6 C     0.067032580     0.600324520     0.034493050 
C7 C     0.073819200     0.795097190    -0.007897590 
C8 C     0.087090490     0.632312310    -0.031983830 
C9 C     0.093848000     0.826256930    -0.074612540 
C10 C     0.107017820     0.662367940    -0.098935710 
C11 C     0.113712550     0.855372800    -0.141923980 
C12 C     0.126725980     0.690140970    -0.166667750 
C13 C     0.133378220     0.882816790    -0.209800550 
C14 C     0.146315470     0.712756140    -0.234150370 
C15 C     0.176231760     1.050297700    -0.217471210 
C16 C     0.200083260     1.403887170    -0.231505280 
C17 C     0.197161040     1.565697530    -0.298239350 
C18 C     0.217458470     1.749110640    -0.267938580 
C19 C     0.241400050     1.776570900    -0.169499450 
C20 C     0.244431830     1.616851290    -0.102753730 
C21 C     0.223984340     1.431599990    -0.133222740 
C22 C     0.285730200     1.978120160    -0.048547820 
N1 N     0.152748990     0.890597160    -0.275761270 
N2 N     0.178471040     1.221541230    -0.268535290 
O1 O     0.193333650     1.036544260    -0.129314310 
O2 O     0.260262710     1.962729280    -0.146650520 
H1 H     0.008724350     0.551717470     0.220430390 
H2 H     0.026639380     0.868079940     0.243620720 
H3 H    -0.005511870     0.798343830     0.125797000 
H4 H     0.013369920     0.357762620     0.115565310 
H5 H     0.045292720     0.427601040     0.232446610 
H6 H     0.014997550     0.833940780     0.059042020 
H7 H     0.046936020     0.903810260     0.175994000 
H8 H     0.033517840     0.391535590     0.049458180 
H9 H     0.065457500     0.461542650     0.166384090 
H10 H     0.035158490     0.867824800    -0.007174930 
H11 H     0.067109940     0.937642290     0.109740940 
H12 H     0.053626550     0.424854020    -0.016712940 
H13 H     0.085580750     0.494913070     0.100150210 
H14 H     0.055277190     0.900720700    -0.073518160 
H15 H     0.087259050     0.970366560     0.043327270 
H16 H     0.073653780     0.456791500    -0.083091060 
H17 H     0.105642150     0.526909790     0.033658040 
H18 H     0.075305350     0.932064310    -0.140175230 
H19 H     0.107342790     1.001402910    -0.023464100 
H20 H     0.093530960     0.486813760    -0.149909180 
H21 H     0.125582260     0.556999830    -0.033346540 
H22 H     0.095167950     0.961495540    -0.207371390 
H23 H     0.127304340     1.030166010    -0.090883530 
H24 H     0.113140940     0.514698850    -0.217528690 
H25 H     0.145300600     0.584713360    -0.101177400 
H26 H     0.114933220     0.989450300    -0.275398010 
H27 H     0.147377520     1.054757760    -0.158672610 
H28 H     0.132904490     0.537878600    -0.285158540 
H29 H     0.165159480     0.614122840    -0.168516340 
H30 H     0.138888410     0.908536790    -0.348216060 
H31 H     0.163062010     1.215696250    -0.341295920 
H32 H     0.178700840     1.547336670    -0.375023220 
H33 H     0.215208790     1.873802210    -0.319452750 
H34 H     0.262683990     1.633007900    -0.026063560 
H35 H     0.226422640     1.308662400    -0.081301040 
H36 H     0.297571840     2.135530380    -0.046257740 
H37 H     0.283724810     2.051925420    -0.001639650 
H38 H     0.296126520     1.768161210    -0.022427220 

#END
data_-132.702_g26a_fchk_19_3089_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 42.9201
_cell_length_b 4.5843
_cell_length_c 11.6298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.386020790     0.076917440     0.582567100 
C2 C     0.410625820    -0.088843120     0.651759840 
C3 C     0.427188910     0.102049890     0.740785260 
C4 C     0.451850770    -0.061717730     0.810471350 
C5 C     0.468426740     0.129088460     0.899429300 
C6 C     0.493100190    -0.035074700     0.968932180 
C7 C     0.509741500     0.155306950     1.057858740 
C8 C     0.534444730    -0.009368250     1.127027230 
C9 C     0.551190710     0.180487840     1.215858790 
C10 C     0.575954610     0.015209090     1.284505010 
C11 C     0.592835470     0.204601290     1.373127710 
C12 C     0.617705050     0.038757940     1.441049560 
C13 C     0.634626220     0.228049940     1.529500310 
C14 C     0.659425240     0.057708630     1.596164870 
C15 C     0.702033840     0.389928090     1.650042160 
C16 C     0.742530370     0.713023550     1.739970270 
C17 C     0.749264390     0.870942620     1.840275350 
C18 C     0.774637290     1.056585140     1.845547800 
C19 C     0.794153400     1.089902450     1.750238120 
C20 C     0.787640290     0.933350550     1.650337580 
C21 C     0.762041860     0.746211890     1.644872280 
C22 C     0.840373750     1.300516830     1.672483390 
N1 N     0.676009910     0.232934120     1.680624710 
N2 N     0.716176590     0.529655490     1.741789300 
O1 O     0.711170020     0.404456210     1.550782010 
O2 O     0.818588430     1.278183310     1.763678500 
H1 H     0.374605290    -0.064269180     0.519606660 
H2 H     0.367955250     0.165954070     0.638941010 
H3 H     0.396445650     0.259795480     0.535899490 
H4 H     0.427978100    -0.181870510     0.593079470 
H5 H     0.399715780    -0.274427240     0.695531570 
H6 H     0.438119920     0.287897600     0.697068910 
H7 H     0.409838250     0.195283470     0.799561940 
H8 H     0.469176870    -0.154999870     0.751625160 
H9 H     0.440902730    -0.247473420     0.854158770 
H10 H     0.479370720     0.314912590     0.855773380 
H11 H     0.451115150     0.222243970     0.958355310 
H12 H     0.510388370    -0.128406640     0.909947040 
H13 H     0.482149430    -0.220825320     1.012608510 
H14 H     0.520674760     0.341211810     1.014216270 
H15 H     0.492475960     0.248360320     1.116991060 
H16 H     0.551670950    -0.102738800     1.067802080 
H17 H     0.523502640    -0.195108830     1.170734050 
H18 H     0.562093510     0.366523210     1.172195370 
H19 H     0.534000600     0.273347150     1.275327150 
H20 H     0.593089640    -0.078161170     1.224912260 
H21 H     0.565042760    -0.170495260     1.328321240 
H22 H     0.603678710     0.390851680     1.329412870 
H23 H     0.575771410     0.296976270     1.433155050 
H24 H     0.634718730    -0.054348350     1.380859630 
H25 H     0.606843840    -0.146958570     1.484981260 
H26 H     0.645588250     0.414627930     1.486489910 
H27 H     0.617906970     0.316771060     1.591344600 
H28 H     0.676608450    -0.035203040     1.537088930 
H29 H     0.648486980    -0.122544310     1.642273060 
H30 H     0.669205880     0.222501430     1.763315150 
H31 H     0.706584920     0.501838890     1.820092700 
H32 H     0.734377100     0.847845160     1.915223910 
H33 H     0.779817460     1.178609670     1.922932650 
H34 H     0.802261550     0.953859740     1.575050330 
H35 H     0.757115740     0.625483240     1.567419240 
H36 H     0.857574960     1.460398080     1.700091180 
H37 H     0.852007950     1.091746370     1.656109040 
H38 H     0.829268660     1.376187730     1.593018980 

#END
data_-131.637_g26a_fchk_19_4827_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 4.5841
_cell_length_b 11.345
_cell_length_c 43.3133
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.958718510     0.423318520     0.613903790 
C2 C     1.124076260     0.349911350     0.589998810 
C3 C     0.927326950     0.264461690     0.572266860 
C4 C     1.090646840     0.190601960     0.548293740 
C5 C     0.894060340     0.105118170     0.530575890 
C6 C     1.057907250     0.031268920     0.506637200 
C7 C     0.861903610    -0.054402520     0.488911610 
C8 C     1.026542970    -0.128287870     0.465041820 
C9 C     0.831364410    -0.214275560     0.447319980 
C10 C     0.997098910    -0.288290730     0.423563190 
C11 C     0.802851860    -0.374706530     0.405874940 
C12 C     0.969912250    -0.449010780     0.382282290 
C13 C     0.775988850    -0.535554230     0.364633380 
C14 C     0.947905400    -0.609040370     0.341228920 
C15 C     0.624015090    -0.658771320     0.297828770 
C16 C     0.278756970    -0.742156650     0.258452490 
C17 C     0.097076720    -0.838831670     0.252263040 
C18 C    -0.076259920    -0.841816070     0.226127820 
C19 C    -0.073319200    -0.747711760     0.205302880 
C20 C     0.106279420    -0.651266450     0.211323510 
C21 C     0.281396430    -0.648184360     0.237662560 
C22 C    -0.252442000    -0.665893650     0.158272890 
N1 N     0.768908490    -0.692602470     0.324188710 
N2 N     0.448967020    -0.746450920     0.285527950 
O1 O     0.652778440    -0.560818710     0.286554300 
O2 O    -0.251681290    -0.758763290     0.180169550 
H1 H     1.104304800     0.483368310     0.626241980 
H2 H     0.788465960     0.476416100     0.602936550 
H3 H     0.852921860     0.366743620     0.631032900 
H4 H     1.297807650     0.299950430     0.601466980 
H5 H     1.233206470     0.408674620     0.573551410 
H6 H     0.817969730     0.205590180     0.588707190 
H7 H     0.753340310     0.314389330     0.560780200 
H8 H     1.264664660     0.140771830     0.559797820 
H9 H     1.199896500     0.249526030     0.531864380 
H10 H     0.784714260     0.046199770     0.546999430 
H11 H     0.720137800     0.154906670     0.519046810 
H12 H     1.231973430    -0.018412200     0.518177090 
H13 H     1.167153270     0.090202770     0.490210970 
H14 H     0.752445660    -0.113291760     0.505334620 
H15 H     0.688043640    -0.004778210     0.477324430 
H16 H     1.200658460    -0.177729690     0.476644820 
H17 H     1.135780090    -0.069387850     0.448607680 
H18 H     0.721722610    -0.273068180     0.463753690 
H19 H     0.657632790    -0.164917040     0.435637310 
H20 H     1.171245320    -0.337386320     0.435264540 
H21 H     1.106301720    -0.229509180     0.407100760 
H22 H     0.692894940    -0.433305230     0.422331020 
H23 H     0.629483120    -0.325773970     0.394028480 
H24 H     1.143937840    -0.497670880     0.394150300 
H25 H     1.079174050    -0.390416440     0.365787660 
H26 H     0.665525750    -0.594650670     0.380913470 
H27 H     0.605533170    -0.487535290     0.352193620 
H28 H     1.121378560    -0.658384400     0.352809520 
H29 H     1.050365080    -0.550876550     0.324346020 
H30 H     0.738695960    -0.773542270     0.333130430 
H31 H     0.441901810    -0.823996960     0.296838510 
H32 H     0.091736240    -0.912759090     0.268178570 
H33 H    -0.216289160    -0.916468270     0.221342320 
H34 H     0.113784720    -0.576959030     0.195708670 
H35 H     0.419802240    -0.573348520     0.242222920 
H36 H    -0.405685370    -0.692170440     0.140344870 
H37 H    -0.325296240    -0.582740130     0.168600040 
H38 H    -0.036137120    -0.653188960     0.148010090 

#END
data_-129.799_g26a_fchk_14_588_final 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 12.6932
_cell_length_b 39.6089
_cell_length_c 12.3082
_cell_angle_alpha 90.0
_cell_angle_beta 158.5301
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.495791470     0.870500460     0.268462370 
C2 C     0.295668980     0.895496240     0.133594920 
C3 C     0.433621370     0.912163040     0.365382590 
C4 C     0.235178460     0.937215340     0.232737440 
C5 C     0.372953070     0.953866600     0.464365680 
C6 C     0.174009290     0.978883560     0.331171820 
C7 C     0.311113720     0.995541180     0.562272540 
C8 C     0.111383560     1.020485170     0.428262760 
C9 C     0.247507010     1.037134570     0.658626360 
C10 C     0.046639660     1.061956540     0.523506450 
C11 C     0.181609370     1.078563090     0.753048060 
C12 C    -0.020717750     1.103204570     0.616613750 
C13 C     0.113861020     1.119766570     0.845852300 
C14 C    -0.092629310     1.144239330     0.704191940 
C15 C     0.221007670     1.186563110     1.091292480 
C16 C     0.523881740     1.224299000     1.499553850 
C17 C     0.643494110     1.226919830     1.718674650 
C18 C     0.834207070     1.252537370     1.927311230 
C19 C     0.911632770     1.276409370     1.923261790 
C20 C     0.794035260     1.273936490     1.706514800 
C21 C     0.601474300     1.248126710     1.495799820 
C22 C     1.183354690     1.325632180     2.140250680 
N1 N     0.029433270     1.160260320     0.917211950 
N2 N     0.330652240     1.197516870     1.295011120 
O1 O     0.282848360     1.198939440     1.062838910 
O2 O     1.101079320     1.300755950     2.138049620 
H1 H     0.391862490     0.858948730     0.098234870 
H2 H     0.691888310     0.883023500     0.428330210 
H3 H     0.560736130     0.850170420     0.385784050 
H4 H     0.098101080     0.882511040    -0.030944310 
H5 H     0.228797150     0.915145190     0.011967640 
H6 H     0.500645130     0.892518500     0.487274980 
H7 H     0.631414910     0.925166690     0.530196950 
H8 H     0.037412560     0.924195030     0.067854800 
H9 H     0.168288290     0.956848710     0.110933130 
H10 H     0.439939430     0.934239340     0.586267860 
H11 H     0.570605240     0.966913560     0.629174860 
H12 H    -0.023716030     0.965827790     0.166180490 
H13 H     0.107128210     0.998513740     0.209366940 
H14 H     0.378224760     0.975914740     0.684278860 
H15 H     0.508612400     1.008647960     0.727091980 
H16 H    -0.086250080     1.007366210     0.263123210 
H17 H     0.044491260     1.040123160     0.306480370 
H18 H     0.314851310     1.017497990     0.780784340 
H19 H     0.444731510     1.050339860     0.823435680 
H20 H    -0.150823420     1.048738360     0.358190510 
H21 H    -0.020288880     1.081622540     0.401806250 
H22 H     0.249370300     1.058905360     0.875455680 
H23 H     0.378245400     1.091938570     0.917686830 
H24 H    -0.217818200     1.089814190     0.451220010 
H25 H    -0.087813030     1.122901660     0.494924220 
H26 H     0.181821610     1.100287480     0.968993190 
H27 H     0.307220090     1.133778550     1.008066990 
H28 H    -0.289587390     1.131144620     0.539679480 
H29 H    -0.153445480     1.164324720     0.589652620 
H30 H    -0.015242390     1.150342690     0.947682300 
H31 H     0.264303130     1.185369470     1.298749510 
H32 H     0.586021790     1.208601190     1.725471020 
H33 H     0.926327820     1.254571700     2.096259710 
H34 H     0.849363840     1.291967700     1.697042960 
H35 H     0.511248370     1.246313910     1.328715680 
H36 H     1.331701240     1.342367840     2.324911780 
H37 H     1.292796540     1.314388850     2.175171100 
H38 H     0.997533460     1.340215620     1.933464320 

#END