
data_-175.358_gel26b_14_31844 
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 37.4005
_cell_length_b 9.2555
_cell_length_c 8.9728
_cell_angle_alpha 90.0
_cell_angle_beta 129.5515
_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     0.788166690     0.297293800     1.370538210 
C2 C     0.743730900     0.383660340     1.225479740 
C3 C     0.707389070     0.299918750     1.039587040 
C4 C     0.662832560     0.385437920     0.893261440 
C5 C     0.626493470     0.301592590     0.707574380 
C6 C     0.582068330     0.387540200     0.560776370 
C7 C     0.545649890     0.303590120     0.375329550 
C8 C     0.501432920     0.390154130     0.227776950 
C9 C     0.464862100     0.305924660     0.042861440 
C10 C     0.420924970     0.393276260    -0.105700370 
C11 C     0.384095940     0.308439830    -0.289524000 
C12 C     0.340491240     0.396670050    -0.439314780 
C13 C     0.303246120     0.310394990    -0.620618540 
C14 C     0.260126530     0.400913070    -0.769505830 
C15 C     0.192549610     0.239214230    -0.941436670 
C16 C     0.125487820     0.070164500    -1.159051100 
C17 C     0.099015650     0.001768040    -1.338747540 
C18 C     0.062451600    -0.089837880    -1.398687330 
C19 C     0.051833820    -0.114399090    -1.277397410 
C20 C     0.078298270    -0.046150080    -1.097335710 
C21 C     0.114653380     0.045026700    -1.037547480 
C22 C    -0.010938880    -0.272140310    -1.502572430 
N1 N     0.223534700     0.319902010    -0.940763360 
N2 N     0.161817150     0.161061980    -1.110009950 
O1 O     0.192486090     0.239415800    -0.805552910 
O2 O     0.016837340    -0.201752850    -1.320756590 
H1 H     0.813497440     0.359581460     1.501710450 
H2 H     0.780898790     0.197972020     1.413164170 
H3 H     0.804467180     0.266334780     1.308395360 
H4 H     0.752129850     0.484114300     1.188887000 
H5 H     0.728708120     0.416143650     1.292742690 
H6 H     0.722415810     0.267159210     0.972297650 
H7 H     0.698913380     0.199441370     1.076055200 
H8 H     0.671341980     0.485794100     0.856742930 
H9 H     0.647852640     0.418346950     0.960670060 
H10 H     0.641533210     0.268138630     0.640588230 
H11 H     0.617823300     0.201547190     0.743969420 
H12 H     0.590752690     0.487367690     0.524037640 
H13 H     0.567088000     0.421397800     0.627864820 
H14 H     0.560725520     0.268853310     0.308923990 
H15 H     0.536716250     0.204275020     0.411915220 
H16 H     0.510372410     0.489062560     0.190487400 
H17 H     0.486478570     0.425615180     0.294413520 
H18 H     0.479933540     0.269219210    -0.022859310 
H19 H     0.455582980     0.207770220     0.079980090 
H20 H     0.430180570     0.490739630    -0.144118060 
H21 H     0.406072750     0.431151690    -0.039545240 
H22 H     0.399050190     0.268904400    -0.354632800 
H23 H     0.374378930     0.212087830    -0.251364470 
H24 H     0.350120850     0.491942430    -0.479753770 
H25 H     0.325934520     0.437985190    -0.373362100 
H26 H     0.317445450     0.267089320    -0.687172590 
H27 H     0.292526500     0.217839860    -0.581473390 
H28 H     0.269129880     0.493081600    -0.816250070 
H29 H     0.245692820     0.443321610    -0.704231900 
H30 H     0.223158210     0.316717060    -1.053830620 
H31 H     0.165203480     0.169254590    -1.212457570 
H32 H     0.106885410     0.019853300    -1.434737390 
H33 H     0.042853250    -0.140543300    -1.539103310 
H34 H     0.069685220    -0.066152750    -1.004538620 
H35 H     0.134857310     0.097231460    -0.898350770 
H36 H    -0.036388250    -0.334812390    -1.508050060 
H37 H    -0.028988100    -0.194295840    -1.622028630 
H38 H     0.009682060    -0.345152130    -1.517610610 

#END
data_-174.480_gel26b_61_48773 
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 9.3527
_cell_length_b 9.1997
_cell_length_c 53.4469
_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     0.633563230     0.319881810     0.820471510 
C2 C     0.732884920     0.385882170     0.840171990 
C3 C     0.652321350     0.454058550     0.862166700 
C4 C     0.750654360     0.520708260     0.881959990 
C5 C     0.670055820     0.588668580     0.903958420 
C6 C     0.768439930     0.656166550     0.923661510 
C7 C     0.687937140     0.723703890     0.945707990 
C8 C     0.786343370     0.792532170     0.965270690 
C9 C     0.705974730     0.859168370     0.987412930 
C10 C     0.804374800     0.929767550     1.006788540 
C11 C     0.724171020     0.994658630     1.029099370 
C12 C     0.822502430     1.067371570     1.048254900 
C13 C     0.742379580     1.128606310     1.070859640 
C14 C     0.842365260     1.202227540     1.089666760 
C15 C     0.740971190     1.166869320     1.131657790 
C16 C     0.617940910     1.172474430     1.173443800 
C17 C     0.538769610     1.260700570     1.189545840 
C18 C     0.490411580     1.209769190     1.212593800 
C19 C     0.521240880     1.067658640     1.219884350 
C20 C     0.600402200     0.979033400     1.203794180 
C21 C     0.648629250     1.029526810     1.180875050 
C22 C     0.399872130     1.092874120     1.258872590 
N1 N     0.769201140     1.257216460     1.111757720 
N2 N     0.662618280     1.232741040     1.150497090 
O1 O     0.783386220     1.041437800     1.132349810 
O2 O     0.479597370     1.006085820     1.241999810 
H1 H     0.693791550     0.272098180     0.804991040 
H2 H     0.566811900     0.234301120     0.828584190 
H3 H     0.562017390     0.402314960     0.812650250 
H4 H     0.800874670     0.468655560     0.831435300 
H5 H     0.805527940     0.301917870     0.847270140 
H6 H     0.579412120     0.537970050     0.855077410 
H7 H     0.584384650     0.371229460     0.870944990 
H8 H     0.818415110     0.603618020     0.873168200 
H9 H     0.823668070     0.436832740     0.889018690 
H10 H     0.596587480     0.672112780     0.896891560 
H11 H     0.602777260     0.505626850     0.912823490 
H12 H     0.835392060     0.739488010     0.914795890 
H13 H     0.842220950     0.572879560     0.930680690 
H14 H     0.613424800     0.806291230     0.938676310 
H15 H     0.621772540     0.640151780     0.954686250 
H16 H     0.851909800     0.876620030     0.956302200 
H17 H     0.861409870     0.710214380     0.972209160 
H18 H     0.629883670     0.940504860     0.980466070 
H19 H     0.641543950     0.774748880     0.996532810 
H20 H     0.867806510     1.015121170     0.997702760 
H21 H     0.881345780     0.848859610     1.013572600 
H22 H     0.645858710     1.074303950     1.022332390 
H23 H     0.662353560     0.908905410     1.038387210 
H24 H     0.882756120     1.154707020     1.039046320 
H25 H     0.902115590     0.988345620     1.054740690 
H26 H     0.661289100     1.206809330     1.064643120 
H27 H     0.685810990     1.040986380     1.080538490 
H28 H     0.898752540     1.293084670     1.080888820 
H29 H     0.922584970     1.124428500     1.096039110 
H30 H     0.731785980     1.359737400     1.111534120 
H31 H     0.633340540     1.337001410     1.147844940 
H32 H     0.513921580     1.371613630     1.184117120 
H33 H     0.429446630     1.281873270     1.224481360 
H34 H     0.623604570     0.868889200     1.209683970 
H35 H     0.709692840     0.960301380     1.168595650 
H36 H     0.378445340     1.024327270     1.275048330 
H37 H     0.460484150     1.188783790     1.264857110 
H38 H     0.298177170     1.128013890     1.250651970 

#END
data_-174.480_gel26b_61_692 
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 53.4469
_cell_length_b 9.3527
_cell_length_c 9.1997
_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     0.679528510     0.366436810    -0.180117760 
C2 C     0.659828020     0.267115070    -0.114117440 
C3 C     0.637833290     0.347678680    -0.045941110 
C4 C     0.618040020     0.249345650     0.020708570 
C5 C     0.596041580     0.329944220     0.088668830 
C6 C     0.576338480     0.231560060     0.156166780 
C7 C     0.554292000     0.312062900     0.223704050 
C8 C     0.534729300     0.213656630     0.292532310 
C9 C     0.512587060     0.294025310     0.359168450 
C10 C     0.493211440     0.195625190     0.429767600 
C11 C     0.470900610     0.275829030     0.494658620 
C12 C     0.451745080     0.177497580     0.567371540 
C13 C     0.429140330     0.257620480     0.628606210 
C14 C     0.410333210     0.157634760     0.702227420 
C15 C     0.368342190     0.259028820     0.666869050 
C16 C     0.326556180     0.382059160     0.672474000 
C17 C     0.310454130     0.461230510     0.760700120 
C18 C     0.287406170     0.509588550     0.709768650 
C19 C     0.280115630     0.478759150     0.567658030 
C20 C     0.296205810     0.399597780     0.479032830 
C21 C     0.319124930     0.351370750     0.529526340 
C22 C     0.241127390     0.600127980     0.592873380 
N1 N     0.388242240     0.230798910     0.757216280 
N2 N     0.349502880     0.337381800     0.732740710 
O1 O     0.367650180     0.216613740     0.541437490 
O2 O     0.258000180     0.520402660     0.506085120 
H1 H     0.695008970     0.306208450    -0.227901350 
H2 H     0.671415820     0.433188130    -0.265698510 
H3 H     0.687349750     0.437982710    -0.097684580 
H4 H     0.668564710     0.199125310    -0.031343980 
H5 H     0.652729870     0.194471970    -0.198081770 
H6 H     0.644922580     0.420587990     0.037970420 
H7 H     0.629055020     0.415615400    -0.128770270 
H8 H     0.626831790     0.181584870     0.103618400 
H9 H     0.610981330     0.176331850    -0.063166980 
H10 H     0.603108430     0.403412630     0.172113060 
H11 H     0.587176500     0.397222770     0.005627030 
H12 H     0.585204100     0.164607930     0.239488300 
H13 H     0.569319310     0.157778960     0.072879760 
H14 H     0.561323670     0.386575300     0.306291430 
H15 H     0.545313740     0.378227490     0.140151870 
H16 H     0.543697790     0.148090190     0.376620240 
H17 H     0.527790840     0.138590050     0.210214480 
H18 H     0.519533900     0.370116450     0.440504970 
H19 H     0.503467180     0.358456100     0.274748900 
H20 H     0.502297230     0.132193490     0.515121290 
H21 H     0.486427390     0.118654140     0.348859640 
H22 H     0.477667580     0.354141420     0.574303970 
H23 H     0.461612780     0.337646490     0.408905340 
H24 H     0.460953660     0.117243890     0.654707050 
H25 H     0.445259290     0.097884330     0.488345560 
H26 H     0.435356850     0.338711030     0.706809260 
H27 H     0.419461490     0.314189060     0.540986220 
H28 H     0.419111140     0.101247460     0.793084620 
H29 H     0.403960870     0.077414960     0.624428360 
H30 H     0.388465850     0.268214130     0.859737250 
H31 H     0.352155020     0.366659580     0.837001120 
H32 H     0.315882830     0.486078570     0.871613220 
H33 H     0.275518600     0.570553530     0.781872700 
H34 H     0.290316030     0.376395380     0.368888590 
H35 H     0.331404340     0.290307090     0.460300940 
H36 H     0.224951650     0.621554740     0.524326460 
H37 H     0.235142870     0.539515940     0.688783070 
H38 H     0.249348010     0.701822990     0.628013160 

#END
data_-170.378_gel26b_2_18075 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 4.5199
_cell_length_b 6.2812
_cell_length_c 93.6224
_cell_angle_alpha 135.1986
_cell_angle_beta 89.1372
_cell_angle_gamma 56.1287
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -6.479227550     6.271313260     0.472063170 
C2 C    -5.909739550     5.780752770     0.449468540 
C3 C    -5.725651580     5.308590600     0.430006610 
C4 C    -5.156495600     4.815839490     0.407362470 
C5 C    -4.972678870     4.343877300     0.387890110 
C6 C    -4.403675510     3.851814480     0.365373170 
C7 C    -4.219459090     3.379406690     0.345830210 
C8 C    -3.650816560     2.888424820     0.323513440 
C9 C    -3.465999870     2.415218680     0.303829530 
C10 C    -2.897922770     1.925691790     0.281780520 
C11 C    -2.712391420     1.451295490     0.261845230 
C12 C    -2.145088770     0.963466120     0.240114190 
C13 C    -1.959473400     0.487802950     0.219725970 
C14 C    -1.391999810     0.004940290     0.198359750 
C15 C    -1.102291850    -0.717512650     0.153890200 
C16 C    -0.820228740    -1.477226810     0.111726780 
C17 C    -0.689924580    -1.861418270     0.099422650 
C18 C    -0.548924660    -2.222902810     0.073704830 
C19 C    -0.536832940    -2.203247600     0.059808350 
C20 C    -0.667443650    -1.818801990     0.072085970 
C21 C    -0.807501170    -1.459205220     0.097650430 
C22 C    -0.266775430    -2.933616630     0.021358800 
N1 N    -1.204033610    -0.455959620     0.178108480 
N2 N    -0.958070250    -1.127507760     0.137767720 
O1 O    -1.133497050    -0.596059980     0.147498890 
O2 O    -0.404563750    -2.536636890     0.034546900 
H1 H    -6.600364970     6.602123980     0.485658250 
H2 H    -6.620441700     6.242848200     0.462233700 
H3 H    -6.659472520     6.347779590     0.485762810 
H4 H    -5.777154540     5.824033940     0.459852730 
H5 H    -5.738369120     5.719518890     0.436481350 
H6 H    -5.897581040     5.369814420     0.442990470 
H7 H    -5.857615420     5.264563360     0.419572900 
H8 H    -5.025033320     4.860091230     0.417819350 
H9 H    -4.984694630     4.755118810     0.394410410 
H10 H    -5.146126460     4.405432860     0.400850500 
H11 H    -5.102179070     4.298210990     0.377332690 
H12 H    -4.274631850     3.897274330     0.375950940 
H13 H    -4.229967120     3.790868200     0.352461150 
H14 H    -4.395814450     3.441691180     0.358754760 
H15 H    -4.345410370     3.331789730     0.335095540 
H16 H    -3.525531290     2.935430300     0.334274300 
H17 H    -3.474126220     2.827397120     0.310683930 
H18 H    -3.646276950     2.477948200     0.316666460 
H19 H    -3.586973130     2.365311880     0.292854640 
H20 H    -2.777779240     1.974191270     0.292780880 
H21 H    -2.717312220     1.865239420     0.269110860 
H22 H    -2.897295680     1.513414160     0.274494360 
H23 H    -2.826502990     1.398837090     0.250557650 
H24 H    -2.031794200     1.013084110     0.251417130 
H25 H    -1.960252270     0.905503900     0.227756640 
H26 H    -2.145039080     0.542142940     0.231803610 
H27 H    -2.058179810     0.428225090     0.207778950 
H28 H    -1.278000920     0.043523750     0.209427910 
H29 H    -1.205915960    -0.052542210     0.186150860 
H30 H    -1.180321380    -0.560764970     0.183039840 
H31 H    -0.946161130    -1.190983680     0.145189780 
H32 H    -0.697676560    -1.881462020     0.110004070 
H33 H    -0.450843870    -2.513962920     0.064938720 
H34 H    -0.656465030    -1.807882530     0.061072550 
H35 H    -0.907428670    -1.164144850     0.106945390 
H36 H    -0.175107040    -3.152614250     0.001793730 
H37 H     0.061280850    -3.184275430     0.016153770 
H38 H    -0.575064140    -2.782142680     0.034813160 

#END
data_-169.659_gel26b_14_1463 
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 50.4353
_cell_length_b 4.575
_cell_length_c 9.7288
_cell_angle_alpha 90.0
_cell_angle_beta 94.2325
_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     0.475059230    -0.111128990     0.631881840 
C2 C     0.455644140     0.062605890     0.535148390 
C3 C     0.432574020    -0.122563270     0.472036240 
C4 C     0.413061330     0.048936270     0.374840310 
C5 C     0.389984500    -0.136205460     0.311930340 
C6 C     0.370577650     0.034995040     0.214018520 
C7 C     0.347445630    -0.149755140     0.151437870 
C8 C     0.328203260     0.020860900     0.052414600 
C9 C     0.304960160    -0.163195980    -0.009444730 
C10 C     0.285936700     0.006571070    -0.109939960 
C11 C     0.262495690    -0.176336810    -0.170369270 
C12 C     0.243729690    -0.007704520    -0.272611280 
C13 C     0.219935040    -0.188747580    -0.329942370 
C14 C     0.201560350    -0.017313140    -0.433084000 
C15 C     0.155945190    -0.192717380    -0.412913290 
C16 C     0.110875920    -0.429524820    -0.425588650 
C17 C     0.094294300    -0.622377150    -0.502676500 
C18 C     0.068939230    -0.690086900    -0.464255940 
C19 C     0.059766180    -0.563508470    -0.346320080 
C20 C     0.076330480    -0.370495390    -0.268874120 
C21 C     0.101542990    -0.302818270    -0.306968560 
C22 C     0.017902490    -0.806459510    -0.375079730 
N1 N     0.178285450    -0.181841590    -0.485736200 
N2 N     0.136207250    -0.373278250    -0.471872120 
O1 O     0.154040000    -0.052189720    -0.307427800 
O2 O     0.035321510    -0.613343890    -0.298812480 
H1 H     0.491323420     0.026135550     0.675384370 
H2 H     0.464998160    -0.203978790     0.717706040 
H3 H     0.483814210    -0.292446660     0.577488100 
H4 H     0.466342240     0.159010300     0.452132130 
H5 H     0.447645140     0.246603040     0.591289470 
H6 H     0.440561170    -0.307065210     0.415991870 
H7 H     0.421831570    -0.218826340     0.555059470 
H8 H     0.423817810     0.144809250     0.291790520 
H9 H     0.405107750     0.233622480     0.430854240 
H10 H     0.397938530    -0.321607990     0.256412440 
H11 H     0.379152150    -0.231039470     0.394942480 
H12 H     0.381411580     0.129053840     0.130818580 
H13 H     0.362678160     0.220938410     0.269365210 
H14 H     0.355345110    -0.336848070     0.096893960 
H15 H     0.336495110    -0.242112280     0.234595780 
H16 H     0.339145530     0.111790010    -0.031117190 
H17 H     0.320409560     0.208914100     0.106670300 
H18 H     0.312744160    -0.352856840    -0.062581950 
H19 H     0.293861470    -0.251674540     0.074034330 
H20 H     0.297003250     0.092651610    -0.194093570 
H21 H     0.278336340     0.197752570    -0.057249160 
H22 H     0.270053880    -0.369625520    -0.221638290 
H23 H     0.251221570    -0.258969450    -0.086345940 
H24 H     0.254927460     0.071128020    -0.357820950 
H25 H     0.236485750     0.187828040    -0.221957110 
H26 H     0.226873760    -0.386788190    -0.379749120 
H27 H     0.208261200    -0.259985960    -0.245612070 
H28 H     0.212316090     0.052358630    -0.521055590 
H29 H     0.194455190     0.178852850    -0.383589580 
H30 H     0.179461140    -0.302088050    -0.571653880 
H31 H     0.140033300    -0.478713250    -0.559149680 
H32 H     0.101171190    -0.722667520    -0.594765520 
H33 H     0.056761640    -0.840577900    -0.527026130 
H34 H     0.068962550    -0.273706810    -0.177512430 
H35 H     0.114170150    -0.153513620    -0.246544150 
H36 H    -0.000189030    -0.814447010    -0.320681470 
H37 H     0.013102960    -0.726763960    -0.480266900 
H38 H     0.026318400    -1.026930070    -0.379574930 

#END
data_-169.425_gel26b_60_43535 
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 9.4019
_cell_length_b 9.2105
_cell_length_c 52.4511
_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     0.545303230     1.052236610     0.656627880 
C2 C     0.479297420     1.141200710     0.678229080 
C3 C     0.412606320     1.047053710     0.699096380 
C4 C     0.345970670     1.134961950     0.720774190 
C5 C     0.279491170     1.040779270     0.741644890 
C6 C     0.212027810     1.128782400     0.763231200 
C7 C     0.145959940     1.034673240     0.784152700 
C8 C     0.077198970     1.122765940     0.805595560 
C9 C     0.012008800     1.028746470     0.826617440 
C10 C    -0.058479220     1.116922530     0.847868550 
C11 C    -0.121968330     1.022990150     0.869066090 
C12 C    -0.194517370     1.111201940     0.890090540 
C13 C    -0.254438450     1.017217540     0.911591480 
C14 C    -0.327879640     1.107287140     0.932289700 
C15 C    -0.293693250     0.981833120     0.973195780 
C16 C    -0.299399340     0.834299500     1.013482400 
C17 C    -0.385542680     0.744663600     1.028374930 
C18 C    -0.335995140     0.683427270     1.050985010 
C19 C    -0.197425360     0.711675630     1.059055540 
C20 C    -0.110891810     0.801298020     1.044175310 
C21 C    -0.160013600     0.862334070     1.021694150 
C22 C    -0.222249110     0.567215350     1.096511680 
N1 N    -0.381732570     1.020670260     0.953394470 
N2 N    -0.358053050     0.891685670     0.990902510 
O1 O    -0.171342130     1.025313250     0.974752500 
O2 O    -0.137494120     0.657826520     1.080845260 
H1 H     0.592016150     1.122061720     0.642000670 
H2 H     0.629357210     0.980950910     0.663812910 
H3 H     0.465483290     0.983598330     0.647390280 
H4 H     0.397998580     1.214105820     0.670435160 
H5 H     0.560628030     1.211360430     0.686753520 
H6 H     0.331329340     0.976620430     0.690576450 
H7 H     0.493957960     0.974179630     0.706933440 
H8 H     0.264541990     1.207665030     0.712920350 
H9 H     0.427212490     1.205517510     0.729264820 
H10 H     0.198675450     0.969772130     0.733138710 
H11 H     0.361042720     0.968524070     0.749581410 
H12 H     0.130205330     1.200705750     0.755288270 
H13 H     0.292688520     1.200130760     0.771694150 
H14 H     0.065990330     0.962598150     0.775665370 
H15 H     0.227998100     0.963485370     0.792223510 
H16 H    -0.005358660     1.193339560     0.797523920 
H17 H     0.156902990     1.195450640     0.813997480 
H18 H    -0.066726180     0.955038560     0.818190640 
H19 H     0.094876800     0.959239560     0.834862300 
H20 H    -0.142253850     1.185393350     0.839640280 
H21 H     0.019833940     1.191606580     0.856144720 
H22 H    -0.199035310     0.946950830     0.860785780 
H23 H    -0.037822370     0.956042270     0.877527180 
H24 H    -0.280200700     1.176512820     0.881681570 
H25 H    -0.118058900     1.188706910     0.898107110 
H26 H    -0.330087400     0.938076780     0.903823800 
H27 H    -0.168521900     0.955373390     0.920540410 
H28 H    -0.416989210     1.168423720     0.924248050 
H29 H    -0.252623340     1.185458300     0.940200190 
H30 H    -0.481722940     0.982165580     0.952422280 
H31 H    -0.459740780     0.862736840     0.987603500 
H32 H    -0.493693500     0.721676790     1.022327830 
H33 H    -0.406390200     0.614654510     1.061929430 
H34 H    -0.003493310     0.822360110     1.050661290 
H35 H    -0.092424200     0.931400760     1.010350880 
H36 H    -0.155485550     0.537144240     1.112627790 
H37 H    -0.316781760     0.624409610     1.103510400 
H38 H    -0.255529210     0.468697870     1.086406710 

#END
data_-169.425_gel26b_60_68510 
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 9.4019
_cell_length_b 9.2105
_cell_length_c 52.4511
_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     1.045303240    -0.052236730     0.343372140 
C2 C     0.979297430    -0.141200800     0.321770930 
C3 C     0.912606340    -0.047053810     0.300903640 
C4 C     0.845970690    -0.134962020     0.279225830 
C5 C     0.779491190    -0.040779350     0.258355130 
C6 C     0.712027830    -0.128782460     0.236768820 
C7 C     0.645959950    -0.034673300     0.215847310 
C8 C     0.577198980    -0.122765970     0.194404450 
C9 C     0.512008810    -0.028746510     0.173382570 
C10 C     0.441520800    -0.116922540     0.152131460 
C11 C     0.378031680    -0.022990170     0.130933910 
C12 C     0.305482640    -0.111201930     0.109909460 
C13 C     0.245561560    -0.017217540     0.088408520 
C14 C     0.172120370    -0.107287110     0.067710310 
C15 C     0.206306740     0.018166890     0.026804220 
C16 C     0.200600640     0.165700490    -0.013482400 
C17 C     0.114457310     0.255336380    -0.028374930 
C18 C     0.164004840     0.316572700    -0.050985020 
C19 C     0.302574590     0.288324320    -0.059055540 
C20 C     0.389108130     0.198701930    -0.044175310 
C21 C     0.339986360     0.137665900    -0.021694150 
C22 C     0.277750840     0.432784580    -0.096511690 
N1 N     0.118267450    -0.020670240     0.046605530 
N2 N     0.141946950     0.108314330     0.009097490 
O1 O     0.328657850    -0.025313250     0.025247500 
O2 O     0.362505810     0.342173420    -0.080845260 
H1 H     1.092016160    -0.122061830     0.357999350 
H2 H     1.129357220     0.019048940     0.336187110 
H3 H     0.965483320     0.016401540     0.352609740 
H4 H     0.897998600    -0.214105890     0.329564850 
H5 H     1.060628030    -0.211360510     0.313246500 
H6 H     0.831329370     0.023379470     0.309423560 
H7 H     0.993957970     0.025820240     0.293066580 
H8 H     0.764542010    -0.207665080     0.287079660 
H9 H     0.927212480    -0.205517570     0.270735200 
H10 H     0.698675480     0.030227790     0.266861300 
H11 H     0.861042720     0.031475830     0.250418600 
H12 H     0.630205350    -0.200705780     0.244711740 
H13 H     0.792688510    -0.200130810     0.228305860 
H14 H     0.565990360     0.037401780     0.224334640 
H15 H     0.727998100     0.036514540     0.207776500 
H16 H     0.494641370    -0.193339570     0.202476090 
H17 H     0.656902980    -0.195450670     0.186002530 
H18 H     0.433273850     0.044961390     0.181809370 
H19 H     0.594876800     0.040760380     0.165137700 
H20 H     0.357746170    -0.185393340     0.160359730 
H21 H     0.519833930    -0.191606580     0.143855280 
H22 H     0.300964720     0.053049140     0.139214230 
H23 H     0.462177640     0.043957690     0.122472830 
H24 H     0.219799320    -0.176512780     0.118318430 
H25 H     0.381941100    -0.188706890     0.101892900 
H26 H     0.169912630     0.061923210     0.096176200 
H27 H     0.331478100     0.044626590     0.079459590 
H28 H     0.083010810    -0.168423670     0.075751950 
H29 H     0.247376660    -0.185458260     0.059799810 
H30 H     0.018277090     0.017834450     0.047577720 
H31 H     0.040259240     0.137263160     0.012396500 
H32 H     0.006306510     0.278323190    -0.022327830 
H33 H     0.093609780     0.385345450    -0.061929440 
H34 H     0.496506620     0.177639840    -0.050661290 
H35 H     0.407575750     0.068599220    -0.010350880 
H36 H     0.344514390     0.462855670    -0.112627800 
H37 H     0.183218190     0.375590350    -0.103510400 
H38 H     0.244470750     0.531302040    -0.086406710 

#END
data_-169.395_gel26b_61_41174 
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 9.2136
_cell_length_b 8.9185
_cell_length_c 59.287
_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     0.700249330     1.133057580     0.360478910 
C2 C     0.611207110     1.097755380     0.381600240 
C3 C     0.697930800     1.013628660     0.399622390 
C4 C     0.609794830     0.977440380     0.420805960 
C5 C     0.696607880     0.893520970     0.438827520 
C6 C     0.608117800     0.856478890     0.459944190 
C7 C     0.694993910     0.773017740     0.478005300 
C8 C     0.606005700     0.734621670     0.499016290 
C9 C     0.693076010     0.652116940     0.517153830 
C10 C     0.603458870     0.611909110     0.538022990 
C11 C     0.690977650     0.531227820     0.556290930 
C12 C     0.600672670     0.488842060     0.576991860 
C13 C     0.689318530     0.411898260     0.595473080 
C14 C     0.596802190     0.368960090     0.615925780 
C15 C     0.751113190     0.387276690     0.649633980 
C16 C     0.916340400     0.358991750     0.683085760 
C17 C     0.990215310     0.253870790     0.696210350 
C18 C     1.075363890     0.297297530     0.714502000 
C19 C     1.087718090     0.448875460     0.719934590 
C20 C     1.013961260     0.554394800     0.706814890 
C21 C     0.929190590     0.511400290     0.688627450 
C22 C     1.243480420     0.400814630     0.751223890 
N1 N     0.679627180     0.299956750     0.634069630 
N2 N     0.832641980     0.305306630     0.664902200 
O1 O     0.740771960     0.523735930     0.649792920 
O2 O     1.167847520     0.504469330     0.737453620 
H1 H     0.635759660     1.192992530     0.347898140 
H2 H     0.794310280     1.202816450     0.364593130 
H3 H     0.740780500     1.030235320     0.352617640 
H4 H     0.515904250     1.030979890     0.376933110 
H5 H     0.569153710     1.202227730     0.388834010 
H6 H     0.740263880     0.909141210     0.392388110 
H7 H     0.793243250     1.080483180     0.404327020 
H8 H     0.514617620     0.910456120     0.416085440 
H9 H     0.567317340     1.081912310     0.428016690 
H10 H     0.739617440     0.789358380     0.431590820 
H11 H     0.791434760     0.960780200     0.443624830 
H12 H     0.513538930     0.788854770     0.455140760 
H13 H     0.564714460     0.960555680     0.467149830 
H14 H     0.739255230     0.669444500     0.470758360 
H15 H     0.788996130     0.841104400     0.482927700 
H16 H     0.512464760     0.665845710     0.494092500 
H17 H     0.561038720     0.838049880     0.506200370 
H18 H     0.739255770     0.549397410     0.509919950 
H19 H     0.785772570     0.721556400     0.522239450 
H20 H     0.511543770     0.541283190     0.532951260 
H21 H     0.556141620     0.714394420     0.545144010 
H22 H     0.739909460     0.429654670     0.549129770 
H23 H     0.781660430     0.602722180     0.561582030 
H24 H     0.511214090     0.415376720     0.571746980 
H25 H     0.550016230     0.590073840     0.583950200 
H26 H     0.741904690     0.311162000     0.588699260 
H27 H     0.775824960     0.486721770     0.601235060 
H28 H     0.510731600     0.291064870     0.610997260 
H29 H     0.545138830     0.469100530     0.622817630 
H30 H     0.691123010     0.187780150     0.634163030 
H31 H     0.833091220     0.192971820     0.663107170 
H32 H     0.981631520     0.135422320     0.692178640 
H33 H     1.130674920     0.212075030     0.724211990 
H34 H     1.024478290     0.671750040     0.711216870 
H35 H     0.872651940     0.593686090     0.678612510 
H36 H     1.298957720     0.467309410     0.763983940 
H37 H     1.169012990     0.322368260     0.759520730 
H38 H     1.323901880     0.337190810     0.741517330 

#END
data_-169.395_gel26b_61_29036 
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 59.2871
_cell_length_b 9.2136
_cell_length_c 8.9185
_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     0.639521000     0.299750620     0.633058140 
C2 C     0.618399700     0.388792950     0.597755680 
C3 C     0.600377540     0.302069120     0.513629180 
C4 C     0.579194000     0.390205200     0.477440640 
C5 C     0.561172440     0.303392010     0.393521440 
C6 C     0.540055790     0.391882210     0.356479100 
C7 C     0.521994680     0.305005960     0.273018150 
C8 C     0.500983700     0.393994270     0.234621820 
C9 C     0.482846160     0.306923820     0.152117300 
C10 C     0.461977030     0.396541060     0.111909200 
C11 C     0.443709080     0.309022160     0.031228120 
C12 C     0.423008180     0.399327230    -0.011157890 
C13 C     0.404526960     0.310681250    -0.088101480 
C14 C     0.384074280     0.403197680    -0.131039920 
C15 C     0.350366070     0.248886860    -0.112722960 
C16 C     0.316914270     0.083659720    -0.141007500 
C17 C     0.303789670     0.009784590    -0.246128290 
C18 C     0.285498020    -0.075363810    -0.202701350 
C19 C     0.280065430    -0.087717600    -0.051123390 
C20 C     0.293185140    -0.013960540     0.054395770 
C21 C     0.311372580     0.070809940     0.011401060 
C22 C     0.248776110    -0.243479930    -0.099183860 
N1 N     0.365930430     0.320372590    -0.200043070 
N2 N     0.335097840     0.167357930    -0.194692820 
O1 O     0.350207120     0.259228450     0.023736250 
O2 O     0.262546390    -0.167846810     0.004470660 
H1 H     0.652101780     0.364240390     0.692992940 
H2 H     0.635406760     0.205689820     0.702817260 
H3 H     0.647382260     0.259219110     0.530236000 
H4 H     0.623066840     0.484095670     0.530979950 
H5 H     0.611165940     0.430846690     0.702227920 
H6 H     0.607611810     0.259735700     0.409141850 
H7 H     0.595672890     0.206756810     0.580483930 
H8 H     0.583914540     0.485382270     0.410456130 
H9 H     0.571983280     0.432683030     0.581912440 
H10 H     0.568409120     0.260382110     0.289358960 
H11 H     0.556375100     0.208565280     0.460780910 
H12 H     0.544859240     0.486460930     0.288854730 
H13 H     0.532850160     0.435285880     0.460555750 
H14 H     0.529241600     0.260744300     0.169445040 
H15 H     0.517072250     0.211003880     0.341105050 
H16 H     0.505907510     0.487535060     0.165845620 
H17 H     0.493799640     0.438961590     0.338049900 
H18 H     0.490080030     0.260743730     0.049397900 
H19 H     0.477760520     0.214227420     0.221556990 
H20 H     0.467048770     0.488456010     0.041283060 
H21 H     0.454856020     0.443858650     0.214394390 
H22 H     0.450870230     0.260090010    -0.070344890 
H23 H     0.438417970     0.218339540     0.102722720 
H24 H     0.428253080     0.488785650    -0.084623460 
H25 H     0.416049850     0.449984000     0.090073750 
H26 H     0.411300760     0.258094760    -0.188837600 
H27 H     0.398764960     0.224174990    -0.013277750 
H28 H     0.389002820     0.489268100    -0.208935360 
H29 H     0.377182450     0.454861380    -0.030899620 
H30 H     0.365837020     0.308876480    -0.312219630 
H31 H     0.336892870     0.166908390    -0.307027630 
H32 H     0.307821390     0.018368060    -0.364576780 
H33 H     0.275788020    -0.130675020    -0.287923720 
H34 H     0.288783150    -0.024477260     0.171751020 
H35 H     0.321387520     0.127348770     0.093686720 
H36 H     0.236016050    -0.298957000    -0.032688950 
H37 H     0.240479290    -0.169012580    -0.177630440 
H38 H     0.258482650    -0.323901660    -0.162807460 

#END
data_-169.292_gel26b_61_44835 
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 9.2318
_cell_length_b 9.0484
_cell_length_c 56.8463
_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     0.225512280     1.307818000     0.157924480 
C2 C     0.320643940     1.244895770     0.138297850 
C3 C     0.233115740     1.178210990     0.118040850 
C4 C     0.327224930     1.114632900     0.098332710 
C5 C     0.239658320     1.048167920     0.078073470 
C6 C     0.333853920     0.983714090     0.058445800 
C7 C     0.246365960     0.917687570     0.038142520 
C8 C     0.340638000     0.851859890     0.018640600 
C9 C     0.253248920     0.786765680    -0.001749750 
C10 C     0.347586790     0.719108760    -0.021083800 
C11 C     0.260298240     0.655816390    -0.041626130 
C12 C     0.354651670     0.585975890    -0.060762300 
C13 C     0.267324070     0.526446560    -0.081565140 
C14 C     0.363464110     0.455645740    -0.100392380 
C15 C     0.247920570     0.497107210    -0.138785770 
C16 C     0.110912380     0.496675310    -0.176982240 
C17 C     0.026745630     0.408701880    -0.191808280 
C18 C    -0.029572640     0.463574670    -0.212805360 
C19 C    -0.001837890     0.609476460    -0.219287020 
C20 C     0.082311650     0.697857250    -0.204470280 
C21 C     0.138454690     0.643448420    -0.183591100 
C22 C    -0.136148570     0.588692090    -0.254957770 
N1 N     0.283276090     0.402457220    -0.120744850 
N2 N     0.163559110     0.432291880    -0.156089840 
O1 O     0.289512170     0.625143340    -0.139246040 
O2 O    -0.051176430     0.675088890    -0.239419340 
H1 H     0.290685480     1.354586000     0.172150970 
H2 H     0.154778660     1.395360480     0.151254350 
H3 H     0.156216530     1.222050360     0.165513120 
H4 H     0.392793610     1.160121360     0.145555430 
H5 H     0.391254010     1.332117450     0.131385270 
H6 H     0.162233200     1.091041530     0.124947610 
H7 H     0.161006700     1.263049100     0.110744030 
H8 H     0.399160740     1.029708800     0.105643350 
H9 H     0.398222710     1.201762080     0.091453610 
H10 H     0.168199260     0.961470960     0.084965990 
H11 H     0.168187120     1.133242780     0.070690500 
H12 H     0.404997530     0.898351380     0.065830840 
H13 H     0.405645090     1.070247090     0.051594690 
H14 H     0.173832510     0.831855870     0.045014670 
H15 H     0.175983100     1.003310780     0.030646070 
H16 H     0.410417510     0.765687380     0.026130620 
H17 H     0.413762570     0.937408870     0.011850030 
H18 H     0.179081650     0.702201810     0.005061720 
H19 H     0.184569800     0.873311110    -0.009390090 
H20 H     0.415253160     0.631608710    -0.013471050 
H21 H     0.422697100     0.803220840    -0.027751850 
H22 H     0.183814590     0.572975930    -0.034957140 
H23 H     0.194200570     0.743771480    -0.049440520 
H24 H     0.419157420     0.496408620    -0.053015920 
H25 H     0.432541580     0.668156480    -0.067181180 
H26 H     0.187851170     0.445128970    -0.075382800 
H27 H     0.206402300     0.616416080    -0.089783050 
H28 H     0.423959720     0.362526010    -0.093032720 
H29 H     0.442012710     0.536568020    -0.106715320 
H30 H     0.246398780     0.297832000    -0.120666260 
H31 H     0.135661450     0.325603400    -0.153808800 
H32 H     0.004224910     0.294862630    -0.186988140 
H33 H    -0.094193220     0.391516800    -0.223760060 
H34 H     0.103035380     0.810970130    -0.209712550 
H35 H     0.203318660     0.712520140    -0.172282100 
H36 H    -0.163306280     0.660672910    -0.269656740 
H37 H    -0.075781800     0.492804210    -0.261512210 
H38 H    -0.236244290     0.550605630    -0.246529810 

#END
data_-168.600_gel26b_61_9401 
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 9.2087
_cell_length_b 9.3032
_cell_length_c 53.6552
_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     0.128737590     0.159076200     0.416811680 
C2 C     0.229849110     0.096197870     0.396990080 
C3 C     0.148828550     0.014129900     0.376544220 
C4 C     0.248976360    -0.049508820     0.356645800 
C5 C     0.167899460    -0.131368870     0.336194450 
C6 C     0.268201930    -0.195804940     0.316393410 
C7 C     0.187169530    -0.277257530     0.295889340 
C8 C     0.287655600    -0.342949640     0.276240560 
C9 C     0.206649300    -0.423538180     0.255631370 
C10 C     0.307343850    -0.490905460     0.236185740 
C11 C     0.226296780    -0.569823280     0.215390550 
C12 C     0.327177390    -0.639196780     0.196184800 
C13 C     0.245793730    -0.714617060     0.175061210 
C14 C     0.348523890    -0.784610850     0.156195360 
C15 C     0.231455550    -0.773856130     0.115067010 
C16 C     0.096381700    -0.805248990     0.074739230 
C17 C     0.020220430    -0.904816370     0.060329060 
C18 C    -0.039587330    -0.867266740     0.037380100 
C19 C    -0.023584480    -0.727367330     0.028470050 
C20 C     0.052526510    -0.627412760     0.042864630 
C21 C     0.112126500    -0.664589250     0.065682520 
C22 C    -0.154405660    -0.776897810    -0.008902450 
N1 N     0.273730160    -0.853081600     0.135457770 
N2 N     0.153308860    -0.852343220     0.097712310 
O1 O     0.262493480    -0.646972890     0.112768150 
O2 O    -0.077342920    -0.678421280     0.006282200 
H1 H     0.189341970     0.216958780     0.431171980 
H2 H     0.051183170     0.234306970     0.408523720 
H3 H     0.066219510     0.074351500     0.426034840 
H4 H     0.308563390     0.024059110     0.405859070 
H5 H     0.293529450     0.182782430     0.388460120 
H6 H     0.084872000    -0.072429940     0.385067290 
H7 H     0.070151440     0.086313480     0.367632910 
H8 H     0.327486890    -0.121782820     0.365572910 
H9 H     0.313050070     0.037035890     0.348152510 
H10 H     0.103328780    -0.217527760     0.344695740 
H11 H     0.089844000    -0.058947540     0.327188870 
H12 H     0.345953720    -0.268530510     0.325405230 
H13 H     0.333115960    -0.109755500     0.307938180 
H14 H     0.121455350    -0.362680810     0.304356800 
H15 H     0.110161420    -0.204273950     0.286756270 
H16 H     0.364106470    -0.416517310     0.285374610 
H17 H     0.353979790    -0.257708330     0.267863280 
H18 H     0.139201490    -0.507904380     0.264016670 
H19 H     0.131273910    -0.349595520     0.246333410 
H20 H     0.381787340    -0.565868610     0.245468040 
H21 H     0.375764320    -0.406823520     0.227958320 
H22 H     0.156399780    -0.652791220     0.223600840 
H23 H     0.153392210    -0.494393070     0.205889020 
H24 H     0.398627440    -0.716351520     0.205637280 
H25 H     0.398521980    -0.556620820     0.188248010 
H26 H     0.172807710    -0.796612650     0.182735940 
H27 H     0.177912580    -0.637016290     0.165105480 
H28 H     0.416277960    -0.865728740     0.165289670 
H29 H     0.420625590    -0.703146060     0.148377730 
H30 H     0.245493500    -0.957158070     0.137022010 
H31 H     0.134110950    -0.956536150     0.101631580 
H32 H     0.006865290    -1.014167110     0.067030670 
H33 H    -0.097709910    -0.947852240     0.026832580 
H34 H     0.064165670    -0.519129400     0.035727540 
H35 H     0.170721520    -0.586685990     0.076646450 
H36 H    -0.186780010    -0.717170810    -0.025443050 
H37 H    -0.085912650    -0.867821240    -0.014458280 
H38 H    -0.251652460    -0.817713720     0.000528570 

#END
data_-167.773_gel26b_14_19257 
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 31.4005
_cell_length_b 9.3852
_cell_length_c 9.1638
_cell_angle_alpha 90.0
_cell_angle_beta 58.2919
_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     1.172382840     0.512869220     0.213755470 
C2 C     1.129297830     0.447339380     0.204233860 
C3 C     1.088195240     0.384349980     0.375126610 
C4 C     1.044959020     0.318216140     0.366953960 
C5 C     1.003851190     0.255439620     0.537888170 
C6 C     0.960789110     0.188465940     0.529317900 
C7 C     0.919583900     0.126105440     0.700348210 
C8 C     0.876795010     0.057816220     0.691213750 
C9 C     0.835398020    -0.003656830     0.862487420 
C10 C     0.792974430    -0.073696390     0.852634990 
C11 C     0.751243030    -0.133449800     1.024399450 
C12 C     0.709251330    -0.205576840     1.013761660 
C13 C     0.666946920    -0.261725580     1.186557020 
C14 C     0.625584510    -0.334812400     1.172920420 
C15 C     0.545871660    -0.294196480     1.443846750 
C16 C     0.467189970    -0.293195100     1.735832060 
C17 C     0.437680580    -0.376347780     1.881397740 
C18 C     0.393789270    -0.323348240     2.022115710 
C19 C     0.378732980    -0.184274700     2.018596590 
C20 C     0.408220730    -0.100729770     1.873076620 
C21 C     0.451862220    -0.153286350     1.733007880 
C22 C     0.305478400    -0.202759010     2.297947920 
N1 N     0.584073960    -0.385056880     1.336748330 
N2 N     0.510976240    -0.355241540     1.599346690 
O1 O     0.543455120    -0.172295460     1.402255550 
O2 O     0.336495360    -0.121092200     2.148676630 
H1 H     1.201182620     0.556918280     0.090137260 
H2 H     1.159018980     0.599053110     0.308202790 
H3 H     1.190219920     0.433240980     0.251682090 
H4 H     1.143869480     0.363824120     0.105902670 
H5 H     1.112865710     0.528381250     0.162185410 
H6 H     1.104619650     0.303367210     0.417463050 
H7 H     1.073539140     0.467921900     0.473579770 
H8 H     1.059648070     0.234568450     0.268613970 
H9 H     1.028591540     0.399158530     0.324391420 
H10 H     1.020253210     0.174930500     0.580833470 
H11 H     0.988999250     0.339210600     0.636073060 
H12 H     0.975652900     0.104428970     0.431449990 
H13 H     0.944469930     0.268809320     0.485881410 
H14 H     0.935957440     0.046464800     0.744402810 
H15 H     0.904468220     0.210358010     0.797932680 
H16 H     0.891910890    -0.026945590     0.594256020 
H17 H     0.860585660     0.137171290     0.646251860 
H18 H     0.851665350    -0.082025510     0.908353520 
H19 H     0.819940860     0.081414020     0.958990240 
H20 H     0.808396400    -0.159654830     0.757254720 
H21 H     0.776997220     0.004217100     0.805266320 
H22 H     0.767240240    -0.210091310     1.073070110 
H23 H     0.735361820    -0.047123510     1.119080430 
H24 H     0.725025450    -0.293407980     0.920950230 
H25 H     0.693763680    -0.129597700     0.962699460 
H26 H     0.681955950    -0.336839480     1.240121430 
H27 H     0.650103940    -0.173669010     1.277831000 
H28 H     0.640628450    -0.425962490     1.085701330 
H29 H     0.610295540    -0.260059840     1.120848750 
H30 H     0.585468750    -0.484595650     1.374782890 
H31 H     0.516899580    -0.456886640     1.619544320 
H32 H     0.448940230    -0.484849480     1.885985600 
H33 H     0.372067110    -0.391503460     2.132204440 
H34 H     0.396100530     0.007097420     1.872007930 
H35 H     0.474348830    -0.087986310     1.621281360 
H36 H     0.274350560    -0.133734180     2.383725300 
H37 H     0.290974620    -0.297754580     2.268724240 
H38 H     0.325399830    -0.235328890     2.361220430 

#END
data_-166.700_gel26b_14_23293 
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 63.2186
_cell_length_b 4.956
_cell_length_c 14.4201
_cell_angle_alpha 90.0
_cell_angle_beta 29.6901
_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     0.276556810     0.782477590     2.645329300 
C2 C     0.319711670     0.650117520     2.460880640 
C3 C     0.356426870     0.773786080     2.376775170 
C4 C     0.399766410     0.643275240     2.191992520 
C5 C     0.436445580     0.766751800     2.108120330 
C6 C     0.479822790     0.637346670     1.922689620 
C7 C     0.516493850     0.760086980     1.839058270 
C8 C     0.559928310     0.632496970     1.652643530 
C9 C     0.596569590     0.753789770     1.569586410 
C10 C     0.640078090     0.628668060     1.381883860 
C11 C     0.676634440     0.747345810     1.300044460 
C12 C     0.720232170     0.625249530     1.110832780 
C13 C     0.756518380     0.739009540     1.031874230 
C14 C     0.799913920     0.616536760     0.841716460 
C15 C     0.843012010     0.599374660     0.819925880 
C16 C     0.892048850     0.658059960     0.769630330 
C17 C     0.924736150     0.818897730     0.680821090 
C18 C     0.943103080     0.765135100     0.696922660 
C19 C     0.928702370     0.546312120     0.803884290 
C20 C     0.895958070     0.385025570     0.893077020 
C21 C     0.877673790     0.438121630     0.877138860 
C22 C     0.977702180     0.632007060     0.740349080 
N1 N     0.834780610     0.715067880     0.766438160 
N2 N     0.875297600     0.726852110     0.745852320 
O1 O     0.823607850     0.401463520     0.921486390 
O2 O     0.944294660     0.474223030     0.829538280 
H1 H     0.250944720     0.690544120     2.702179310 
H2 H     0.268095700     0.763110580     2.750886520 
H3 H     0.277267980     0.997940490     2.626083120 
H4 H     0.326916360     0.666557560     2.359244580 
H5 H     0.317836740     0.433597240     2.483101100 
H6 H     0.358289330     0.990608820     2.354745350 
H7 H     0.349269540     0.757084580     2.478317860 
H8 H     0.406910990     0.660358610     2.090511920 
H9 H     0.397876070     0.426431620     2.214009100 
H10 H     0.438222550     0.983816390     2.086847290 
H11 H     0.429399620     0.748608230     2.209235360 
H12 H     0.486900670     0.656264430     1.821485880 
H13 H     0.478028820     0.420140790     1.943746910 
H14 H     0.518105210     0.977640230     1.819201300 
H15 H     0.509565030     0.739442810     1.939700750 
H16 H     0.566933880     0.654552290     1.551783940 
H17 H     0.558273750     0.414709780     1.672152320 
H18 H     0.597980080     0.972034990     1.551734380 
H19 H     0.589764680     0.729279100     1.669667110 
H20 H     0.647041570     0.655524450     1.281349360 
H21 H     0.638579730     0.410096430     1.399224660 
H22 H     0.677854010     0.966456480     1.284769870 
H23 H     0.669951910     0.717115770     1.399435320 
H24 H     0.727218490     0.659202000     1.010533990 
H25 H     0.718827040     0.405762790     1.125481700 
H26 H     0.758047070     0.958945660     1.018201770 
H27 H     0.750298480     0.698000950     1.128889650 
H28 H     0.807888480     0.658569510     0.738905870 
H29 H     0.798614670     0.397826730     0.855056520 
H30 H     0.850938410     0.879782210     0.684119560 
H31 H     0.889032050     0.888938410     0.663729680 
H32 H     0.936274900     0.990036890     0.597072700 
H33 H     0.968354880     0.894987620     0.625701200 
H34 H     0.885072220     0.215708810     0.975716580 
H35 H     0.852433310     0.312387650     0.946451190 
H36 H     0.985358780     0.541005140     0.777863230 
H37 H     1.006163450     0.628978650     0.587672390 
H38 H     0.967708240     0.841675140     0.789270600 

#END
data_-166.630_gel26b_14_24062 
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 34.1797
_cell_length_b 9.3105
_cell_length_c 9.2634
_cell_angle_alpha 90.0
_cell_angle_beta 128.6306
_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     0.145142250     0.133246830    -0.501617950 
C2 C     0.185344270     0.232691760    -0.346928670 
C3 C     0.228388840     0.151416710    -0.175399830 
C4 C     0.268765190     0.249883730    -0.019615870 
C5 C     0.311817430     0.168563550     0.151718050 
C6 C     0.352011550     0.267133160     0.307916860 
C7 C     0.395162000     0.185882970     0.479055560 
C8 C     0.435071820     0.284555030     0.635910990 
C9 C     0.478417590     0.203384930     0.806604630 
C10 C     0.517948260     0.302157720     0.964334120 
C11 C     0.561637660     0.221050120     1.134089400 
C12 C     0.600721600     0.319881120     1.292878530 
C13 C     0.645009740     0.238648460     1.460397210 
C14 C     0.683410120     0.339233330     1.618421010 
C15 C     0.766542350     0.229393630     1.781544920 
C16 C     0.848944340     0.099676300     1.984580220 
C17 C     0.880157790     0.021599190     2.148378230 
C18 C     0.925942970    -0.032752860     2.206671600 
C19 C     0.941212370    -0.009195050     2.099861550 
C20 C     0.910023640     0.068852690     1.935725630 
C21 C     0.864496170     0.123033960     1.877603960 
C22 C     1.017979560    -0.135948150     2.309152860 
N1 N     0.726754490     0.264788220     1.777232350 
N2 N     0.803300960     0.150729250     1.936044380 
O1 O     0.768676120     0.266337950     1.660164040 
O2 O     0.985225440    -0.057131630     2.143167540 
H1 H     0.114879950     0.193995900    -0.622224990 
H2 H     0.160959160     0.061262980    -0.546692840 
H3 H     0.128577660     0.066311060    -0.455212320 
H4 H     0.168298390     0.305892640    -0.307557630 
H5 H     0.200476790     0.300774330    -0.398238770 
H6 H     0.213271610     0.083063390    -0.124094580 
H7 H     0.245518600     0.078260080    -0.214633120 
H8 H     0.251606500     0.322869510     0.019637950 
H9 H     0.283822120     0.318348240    -0.071030580 
H10 H     0.296740940     0.099625360     0.202679620 
H11 H     0.329127820     0.096044270     0.112665080 
H12 H     0.334696170     0.339337330     0.347250340 
H13 H     0.366995240     0.336399380     0.256881080 
H14 H     0.380148100     0.115854410     0.529359550 
H15 H     0.412711010     0.114441090     0.440002190 
H16 H     0.417535120     0.355418810     0.675551410 
H17 H     0.449903860     0.355165920     0.585425950 
H18 H     0.463561510     0.131704530     0.856105900 
H19 H     0.496269100     0.133622180     0.767317690 
H20 H     0.500152770     0.370953830     1.004723160 
H21 H     0.532485980     0.374765100     0.914476980 
H22 H     0.547124540     0.147039150     1.182811180 
H23 H     0.579854140     0.153824240     1.094212300 
H24 H     0.582644290     0.385595200     1.334719750 
H25 H     0.614683040     0.395268250     1.243427810 
H26 H     0.631574980     0.161701120     1.510324560 
H27 H     0.664064430     0.176545080     1.420385530 
H28 H     0.666147540     0.401155670     1.665827610 
H29 H     0.697147120     0.415300460     1.569637610 
H30 H     0.725668170     0.231782240     1.878097790 
H31 H     0.797429540     0.126342990     2.027123830 
H32 H     0.868755790     0.002382960     2.232975960 
H33 H     0.948943580    -0.092612530     2.334525340 
H34 H     0.922330200     0.086379550     1.854071720 
H35 H     0.840704730     0.183180120     1.750759630 
H36 H     1.050322600    -0.162979500     2.317447300 
H37 H     1.030282090    -0.071877530     2.430257680 
H38 H     1.000451480    -0.235138790     2.307740690 

#END
data_-166.210_gel26b_14_22727 
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 30.4241
_cell_length_b 4.8889
_cell_length_c 15.0679
_cell_angle_alpha 90.0
_cell_angle_beta 80.294
_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     0.744586810     1.190905460     0.547361590 
C2 C     0.790099930     1.329070210     0.541510950 
C3 C     0.828190200     1.161924630     0.488146910 
C4 C     0.873889970     1.297978510     0.482045460 
C5 C     0.911944050     1.130957680     0.428587820 
C6 C     0.957675340     1.266283220     0.423034000 
C7 C     0.995725400     1.099835750     0.369323570 
C8 C     1.041504010     1.233921400     0.364612250 
C9 C     1.079532060     1.068568520     0.310364370 
C10 C     1.125371230     1.200942870     0.306766680 
C11 C     1.163327360     1.037527580     0.251500400 
C12 C     1.209239540     1.167758760     0.249209090 
C13 C     1.246946160     1.007880690     0.191904250 
C14 C     1.292639150     1.139749190     0.191242130 
C15 C     1.338512290     1.047592250     0.043784810 
C16 C     1.390213470     0.884265990    -0.093881400 
C17 C     1.423820080     0.695643640    -0.124287970 
C18 C     1.443721160     0.683708650    -0.214535180 
C19 C     1.429960500     0.863299340    -0.276318100 
C20 C     1.396297340     1.052251150    -0.246084870 
C21 C     1.376488230     1.064484150    -0.156363060 
C22 C     1.481426550     0.683084340    -0.399321490 
N1 N     1.328921900     0.996291200     0.134747630 
N2 N     1.371923290     0.882290500    -0.001501960 
O1 O     1.319296640     1.225008360     0.008042810 
O2 O     1.447041160     0.870516320    -0.366239130 
H1 H     0.718030190     1.314382910     0.585817700 
H2 H     0.736261880     1.158314890     0.480276690 
H3 H     0.744278340     0.990990890     0.580135460 
H4 H     0.797121570     1.365346100     0.609558910 
H5 H     0.789190130     1.531247410     0.510375900 
H6 H     0.829086460     0.959348850     0.519177580 
H7 H     0.821219640     1.125835950     0.419981680 
H8 H     0.880845600     1.333684070     0.550233420 
H9 H     0.872964020     1.500665050     0.451132990 
H10 H     0.912752470     0.927845990     0.459264480 
H11 H     0.905096100     1.096272140     0.360272520 
H12 H     0.964553340     1.300179590     0.491371980 
H13 H     0.956848180     1.469738540     0.392612040 
H14 H     0.996363320     0.895702110     0.399362510 
H15 H     0.989010670     1.067609200     0.300791060 
H16 H     1.048293020     1.264695640     0.433165860 
H17 H     1.040819110     1.438661010     0.335044620 
H18 H     1.079964360     0.862890620     0.339370790 
H19 H     1.072963290     1.040187990     0.241559840 
H20 H     1.132095950     1.226886560     0.375573110 
H21 H     1.124843830     1.407564470     0.278548030 
H22 H     1.163567160     0.829693320     0.278917700 
H23 H     1.156910410     1.014910640     0.182397280 
H24 H     1.215958470     1.186493110     0.318288550 
H25 H     1.208800110     1.376950730     0.223058850 
H26 H     1.247520840     0.797185460     0.216706470 
H27 H     1.241056380     0.996229570     0.122343100 
H28 H     1.300360830     1.149494090     0.259504450 
H29 H     1.292301600     1.348815190     0.165963870 
H30 H     1.344936000     0.847018790     0.162410180 
H31 H     1.385368050     0.742472950     0.035115140 
H32 H     1.434875810     0.554456900    -0.076945540 
H33 H     1.469643320     0.534373530    -0.235136340 
H34 H     1.385922850     1.190556940    -0.294766730 
H35 H     1.350548910     1.211115800    -0.133693550 
H36 H     1.490203440     0.723302550    -0.471193690 
H37 H     1.510891510     0.713773320    -0.367434890 
H38 H     1.470127740     0.470695630    -0.389096220 

#END
data_-165.915_gel26b_15_13905 
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 123.6354
_cell_length_b 4.9222
_cell_length_c 8.6796
_cell_angle_alpha 90.0
_cell_angle_beta 122.6997
_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     0.013039390     1.199060020     0.006195210 
C2 C     0.020569320     1.329983260     0.196068290 
C3 C     0.033632700     1.195799650     0.324720460 
C4 C     0.041234800     1.324803750     0.515195600 
C5 C     0.054300140     1.190806620     0.643656300 
C6 C     0.061859320     1.318748980     0.834502850 
C7 C     0.074944620     1.185470680     0.962842040 
C8 C     0.082438400     1.311663850     1.154251940 
C9 C     0.095564680     1.179795080     1.282273550 
C10 C     0.102972180     1.303606130     1.474418000 
C11 C     0.116171830     1.174280270     1.601708800 
C12 C     0.123479430     1.295164820     1.794719580 
C13 C     0.136809920     1.170613940     1.920100250 
C14 C     0.143908080     1.292083260     2.113014070 
C15 C     0.167008200     1.289572470     2.231392190 
C16 C     0.190673940     1.210785660     2.376776790 
C17 C     0.200860130     1.041784690     2.497115850 
C18 C     0.213254530     1.084701670     2.536757400 
C19 C     0.215622600     1.300687440     2.454986460 
C20 C     0.205441160     1.470127720     2.334338970 
C21 C     0.193112130     1.427821250     2.294838400 
C22 C     0.237931980     1.196176940     2.605899200 
N1 N     0.156793710     1.183184660     2.233287670 
N2 N     0.178451020     1.152747930     2.344477070 
O1 O     0.165890070     1.487672680     2.139231660 
O2 O     0.227356370     1.362434500     2.483560870 
H1 H     0.003759620     1.298559560    -0.082729860 
H2 H     0.018387690     1.211486920    -0.060989060 
H3 H     0.011201600     0.984009460     0.015261540 
H4 H     0.014873030     1.320722600     0.258389540 
H5 H     0.022017930     1.546373890     0.182775270 
H6 H     0.032194790     0.979090560     0.337897470 
H7 H     0.039348050     1.205309120     0.262560680 
H8 H     0.035517350     1.314909960     0.577294190 
H9 H     0.042655170     1.541549600     0.501954050 
H10 H     0.052885390     0.973816360     0.656287020 
H11 H     0.060041580     1.201755860     0.581971140 
H12 H     0.056126530     1.307014060     0.896303200 
H13 H     0.063243410     1.535913410     0.821923770 
H14 H     0.073569840     0.967920900     0.974436120 
H15 H     0.080713040     1.198926530     0.901671010 
H16 H     0.076691220     1.296772380     1.215703980 
H17 H     0.083754510     1.529508790     1.142701460 
H18 H     0.094266130     0.961435720     1.292484720 
H19 H     0.101357790     1.197137830     1.221679520 
H20 H     0.097223470     1.283871090     1.535597790 
H21 H     0.104170280     1.522394210     1.464209070 
H22 H     0.115010650     0.954869880     1.610312250 
H23 H     0.121979580     1.197388620     1.541753100 
H24 H     0.117754360     1.268253640     1.855818210 
H25 H     0.124472020     1.515116420     1.785921780 
H26 H     0.135983640     0.950041330     1.928782910 
H27 H     0.142676340     1.204584960     1.862401110 
H28 H     0.138502090     1.256806880     2.177659120 
H29 H     0.144833970     1.511340480     2.105049000 
H30 H     0.157943660     1.018070280     2.309050870 
H31 H     0.178208430     0.991500660     2.414050170 
H32 H     0.199160240     0.872732960     2.561806390 
H33 H     0.220859640     0.948791390     2.630831020 
H34 H     0.207411610     1.637130570     2.271769860 
H35 H     0.185320780     1.559788510     2.201602840 
H36 H     0.246214240     1.279744870     2.609375330 
H37 H     0.239732610     1.201100510     2.744191560 
H38 H     0.236473170     0.985090020     2.558312220 

#END
data_-165.701_gel26b_60_41174 
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 9.1352
_cell_length_b 9.0008
_cell_length_c 61.5622
_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     0.680629660     1.063097280     0.383154620 
C2 C     0.594191990     1.032646610     0.403966970 
C3 C     0.681387370     0.944378660     0.420827240 
C4 C     0.595830580     0.913000880     0.441694430 
C5 C     0.683126530     0.824933210     0.458553670 
C6 C     0.597153100     0.792731050     0.479358340 
C7 C     0.684545710     0.705112680     0.496255340 
C8 C     0.597975500     0.671599730     0.516960910 
C9 C     0.685631400     0.584915810     0.533930490 
C10 C     0.598300410     0.549646860     0.554502840 
C11 C     0.686533350     0.464740520     0.571595630 
C12 C     0.598357010     0.427356930     0.592009630 
C13 C     0.687969080     0.346083680     0.609301860 
C14 C     0.597479420     0.308278060     0.629489070 
C15 C     0.761745220     0.317426350     0.661084460 
C16 C     0.934516680     0.279875050     0.692368660 
C17 C     1.006526770     0.171617570     0.704584040 
C18 C     1.098825700     0.209639270     0.721724670 
C19 C     1.120422510     0.358853360     0.726899840 
C20 C     1.048553120     0.467498510     0.714688550 
C21 C     0.956681740     0.429882130     0.697646180 
C22 C     1.282127200     0.302286820     0.756152910 
N1 N     0.681565220     0.235184000     0.646489320 
N2 N     0.843170160     0.231622380     0.675323090 
O1 O     0.758462140     0.453006630     0.661307400 
O2 O     1.208118260     0.409200250     0.743325640 
H1 H     0.615847880     1.126125250     0.371406710 
H2 H     0.779900090     1.126933160     0.386604600 
H3 H     0.714216510     0.959289930     0.375356550 
H4 H     0.493695280     0.971839750     0.399991970 
H5 H     0.559009760     1.138180280     0.411169640 
H6 H     0.716850180     0.838814850     0.413622540 
H7 H     0.781906750     1.005262550     0.424838290 
H8 H     0.495436810     0.851981540     0.437667340 
H9 H     0.560216020     1.018557600     0.448877260 
H10 H     0.719286510     0.719654070     0.451342960 
H11 H     0.783200210     0.886242350     0.462656620 
H12 H     0.497308630     0.731047470     0.475248110 
H13 H     0.560584970     0.897947240     0.486541310 
H14 H     0.721993740     0.600348770     0.489027960 
H15 H     0.783862070     0.767283240     0.500483280 
H16 H     0.499087290     0.608722070     0.512729040 
H17 H     0.559794790     0.776259610     0.524131650 
H18 H     0.725057730     0.480892030     0.526705230 
H19 H     0.783742650     0.648493120     0.538322810 
H20 H     0.500917360     0.484852870     0.550119490 
H21 H     0.557690250     0.653502720     0.561625700 
H22 H     0.728806370     0.361700070     0.564425370 
H23 H     0.782773280     0.530457060     0.576196950 
H24 H     0.503257800     0.359622800     0.587445880 
H25 H     0.554282290     0.530156910     0.598994140 
H26 H     0.734055570     0.243665830     0.602484400 
H27 H     0.780290330     0.415313320     0.614379600 
H28 H     0.505635190     0.235971010     0.625210750 
H29 H     0.552318790     0.410054130     0.636415000 
H30 H     0.687331480     0.123563190     0.646505250 
H31 H     0.837361670     0.120478470     0.673582220 
H32 H     0.990778100     0.054954390     0.700739590 
H33 H     1.152374360     0.122139150     0.730757680 
H34 H     1.066278690     0.582968430     0.718878630 
H35 H     0.901672570     0.514548550     0.688326140 
H36 H     1.344447290     0.364842730     0.768135060 
H37 H     1.205072890     0.228575200     0.764538880 
H38 H     1.357460540     0.235126570     0.746363810 

#END
data_-165.639_gel26b_19_21570 
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 4.6589
_cell_length_b 9.8949
_cell_length_c 50.3422
_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    -0.643211020     0.675053490     0.398154250 
C2 C    -0.807114900     0.649344650     0.423996170 
C3 C    -0.629078790     0.573759160     0.444789000 
C4 C    -0.791206240     0.547234270     0.470700010 
C5 C    -0.612981550     0.471832620     0.491490280 
C6 C    -0.775904210     0.444539220     0.517330190 
C7 C    -0.597501000     0.369554540     0.538164090 
C8 C    -0.761559220     0.341040520     0.563891160 
C9 C    -0.582663920     0.266923190     0.584808340 
C10 C    -0.748167660     0.236774640     0.610383550 
C11 C    -0.568189940     0.164306130     0.631440790 
C12 C    -0.735295240     0.132190950     0.656835480 
C13 C    -0.552724360     0.063087050     0.678114330 
C14 C    -0.724392990     0.030503400     0.703240670 
C15 C    -0.396320070     0.047563420     0.741332610 
C16 C    -0.049697520     0.022280770     0.779252200 
C17 C     0.098453120    -0.072587760     0.794511870 
C18 C     0.281301200    -0.033217780     0.815002770 
C19 C     0.318491610     0.103758110     0.820521020 
C20 C     0.170601470     0.198982510     0.805264020 
C21 C    -0.011405260     0.160006580     0.784889940 
C22 C     0.643796210     0.060617200     0.856085210 
N1 N    -0.553054160    -0.031323770     0.724138020 
N2 N    -0.230234010    -0.026354720     0.758925720 
O1 O    -0.408345020     0.170791550     0.740938670 
O2 O     0.491658130     0.154117550     0.840090210 
H1 H    -0.775217510     0.729027640     0.383670370 
H2 H    -0.450573610     0.735622100     0.401762820 
H3 H    -0.574657760     0.579968710     0.389042660 
H4 H    -1.002389390     0.591413600     0.419734390 
H5 H    -0.878988980     0.745863210     0.432376100 
H6 H    -0.556653870     0.477218300     0.436405930 
H7 H    -0.433755680     0.631767000     0.449094400 
H8 H    -0.986280810     0.489102920     0.466375310 
H9 H    -0.863932790     0.643761890     0.479056830 
H10 H    -0.539203150     0.375563060     0.483096400 
H11 H    -0.418530930     0.530234520     0.495907180 
H12 H    -0.969891470     0.385800120     0.512905580 
H13 H    -0.850485710     0.540738750     0.525691660 
H14 H    -0.521222660     0.273775490     0.529743520 
H15 H    -0.404545050     0.428746740     0.542731680 
H16 H    -0.953647360     0.281213150     0.559321040 
H17 H    -0.839281000     0.436700800     0.572245170 
H18 H    -0.502538150     0.171855840     0.576380890 
H19 H    -0.392094980     0.327399660     0.589573350 
H20 H    -0.937256840     0.175207850     0.605633460 
H21 H    -0.830627890     0.331648340     0.618690150 
H22 H    -0.482513860     0.070197730     0.623067340 
H23 H    -0.381335170     0.226727620     0.636456040 
H24 H    -0.919822450     0.067964110     0.651872880 
H25 H    -0.824530930     0.226013090     0.664988350 
H26 H    -0.459527000    -0.030319230     0.670157850 
H27 H    -0.373599280     0.128709650     0.683705800 
H28 H    -0.902291470    -0.037767140     0.698640240 
H29 H    -0.815726680     0.123363300     0.711330220 
H30 H    -0.537108770    -0.132680670     0.724697200 
H31 H    -0.237356310    -0.127811720     0.757369100 
H32 H     0.071645380    -0.179624950     0.790440690 
H33 H     0.391750460    -0.110134240     0.826323210 
H34 H     0.201404580     0.305034090     0.809757800 
H35 H    -0.124658330     0.234268160     0.773237070 
H36 H     0.765805590     0.120801650     0.870236410 
H37 H     0.497539190    -0.006418680     0.866927400 
H38 H     0.792247830    -0.000690100     0.844235470 

#END
data_-165.639_gel26b_19_20483 
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 9.8949
_cell_length_b 4.6589
_cell_length_c 50.3422
_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     0.425053380     0.606788990     0.851845770 
C2 C     0.399344580     0.442885140     0.826003850 
C3 C     0.323759080     0.620921200     0.805211020 
C4 C     0.297234240     0.458793770     0.779300010 
C5 C     0.221832580     0.637018410     0.758509740 
C6 C     0.194539230     0.474095770     0.732669820 
C7 C     0.119554540     0.652498940     0.711835920 
C8 C     0.091040560     0.488440740     0.686108850 
C9 C     0.016923230     0.667336010     0.665191660 
C10 C    -0.013225280     0.501832270     0.639616450 
C11 C    -0.085693800     0.681809950     0.618559210 
C12 C    -0.117808930     0.514704680     0.593164520 
C13 C    -0.186912840     0.697275510     0.571885670 
C14 C    -0.219496450     0.525606900     0.546759320 
C15 C    -0.202436450     0.853679830     0.508667380 
C16 C    -0.227719130     1.200302370     0.470747790 
C17 C    -0.322587660     1.348452940     0.455488130 
C18 C    -0.283217700     1.531301050     0.434997230 
C19 C    -0.146241820     1.568491540     0.429478990 
C20 C    -0.051017410     1.420601460     0.444735990 
C21 C    -0.089993330     1.238594710     0.465110060 
C22 C    -0.189382750     1.893796110     0.393914790 
N1 N    -0.281323630     0.696945690     0.525861970 
N2 N    -0.276354600     1.019765850     0.491074270 
O1 O    -0.079208330     0.841654960     0.509061330 
O2 O    -0.095882390     1.741658090     0.409909800 
H1 H     0.479027530     0.474782540     0.866329660 
H2 H     0.485621960     0.799426430     0.848237210 
H3 H     0.329968580     0.675342190     0.860957360 
H4 H     0.341413570     0.247610620     0.830265630 
H5 H     0.495863150     0.371011120     0.817623920 
H6 H     0.227218220     0.693346040     0.813594090 
H7 H     0.381766890     0.816244330     0.800905630 
H8 H     0.239102920     0.263719180     0.783624700 
H9 H     0.393761860     0.386067290     0.770943190 
H10 H     0.125563010     0.710796740     0.766903610 
H11 H     0.280234450     0.831469060     0.754092840 
H12 H     0.135800150     0.280108490     0.737094420 
H13 H     0.290738760     0.399514350     0.724308350 
H14 H     0.023775480     0.728777210     0.720256490 
H15 H     0.178746710     0.845454910     0.707268340 
H16 H     0.031213220     0.296352580     0.690678960 
H17 H     0.186700850     0.410719040     0.677754840 
H18 H    -0.078144140     0.747461700     0.673619110 
H19 H     0.077399660     0.857904960     0.660426660 
H20 H    -0.074792040     0.312743080     0.644366540 
H21 H     0.081648420     0.419372110     0.631309850 
H22 H    -0.179802210     0.767485970     0.626932660 
H23 H    -0.023272340     0.868664750     0.613543970 
H24 H    -0.182035750     0.330177430     0.598127110 
H25 H    -0.023986780     0.425469060     0.585011650 
H26 H    -0.280319130     0.790472810     0.579842150 
H27 H    -0.121290270     0.876400620     0.566294200 
H28 H    -0.287766960     0.347708380     0.551359750 
H29 H    -0.126636530     0.434273280     0.538669770 
H30 H    -0.382680510     0.712891030     0.525302780 
H31 H    -0.377811590     1.012643490     0.492630890 
H32 H    -0.429624840     1.321645150     0.459559300 
H33 H    -0.360134160     1.641750270     0.423676790 
H34 H     0.055034150     1.451404630     0.440242200 
H35 H    -0.015731750     1.125341680     0.476762930 
H36 H    -0.129198310     2.015805530     0.379763600 
H37 H    -0.256418590     1.747539090     0.383072600 
H38 H    -0.250690080     2.042247680     0.405764530 

#END
data_-165.456_gel26b_33_25193 
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 8.6669
_cell_length_b 4.922
_cell_length_c 52.1225
_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     1.260000070     0.053070850     0.799616110 
C2 C     1.127980010    -0.077564300     0.814693550 
C3 C     1.100594480     0.056085080     0.840816830 
C4 C     0.968534000    -0.072634390     0.856038820 
C5 C     0.941355070     0.060827330     0.882165830 
C6 C     0.808591800    -0.066824460     0.897302800 
C7 C     0.781688070     0.065915910     0.923469330 
C8 C     0.647856790    -0.059977630     0.938476800 
C9 C     0.621586280     0.071347720     0.964724430 
C10 C     0.486354870    -0.052151790     0.979561060 
C11 C     0.461380370     0.076619930     1.005953760 
C12 C     0.324512200    -0.043939190     1.020592640 
C13 C     0.302456520     0.080035310     1.047243690 
C14 C     0.164061520    -0.041089720     1.061465270 
C15 C     0.224516850    -0.040101200     1.107540140 
C16 C     0.262438000     0.037254550     1.154775200 
C17 C     0.221141220     0.205945700     1.175171700 
C18 C     0.277413000     0.162085830     1.199868810 
C19 C     0.377288460    -0.054553580     1.204486210 
C20 C     0.418930260    -0.223686120     1.184098890 
C21 C     0.363022780    -0.180442090     1.159531900 
C22 C     0.399206540     0.048681260     1.249029320 
N1 N     0.143646730     0.067246520     1.087223700 
N2 N     0.200168020     0.096258130     1.130427460 
O1 O     0.307812850    -0.238585660     1.105212730 
O2 O     0.439492590    -0.117240750     1.227856750 
H1 H     1.276978270    -0.046036480     0.781059530 
H2 H     1.368704180     0.039797660     0.810224840 
H3 H     1.237042030     0.268346680     0.796011670 
H4 H     1.021444040    -0.067450610     0.803388180 
H5 H     1.152152850    -0.294166240     0.817520120 
H6 H     1.076621230     0.273003920     0.838011570 
H7 H     1.207116000     0.045721650     0.852160200 
H8 H     0.862058120    -0.061886740     0.844691320 
H9 H     0.992435870    -0.289588700     0.858809080 
H10 H     0.918108830     0.278022340     0.879406440 
H11 H     1.047601030     0.049024120     0.893561100 
H12 H     0.702298830    -0.054235750     0.885925000 
H13 H     0.831548470    -0.284190540     0.900001120 
H14 H     0.759790660     0.283661360     0.920789070 
H15 H     0.887624010     0.051606200     0.934918060 
H16 H     0.541806490    -0.044232730     0.927070880 
H17 H     0.669255420    -0.278012580     0.941040180 
H18 H     0.601665840     0.289888500     0.962195350 
H19 H     0.727129150     0.053151680     0.976221760 
H20 H     0.380573450    -0.031564430     0.968153060 
H21 H     0.505493910    -0.271111990     0.981889980 
H22 H     0.444136290     0.296190680     1.003697580 
H23 H     0.566387740     0.052660070     1.017479280 
H24 H     0.219007400    -0.016178050     1.009233360 
H25 H     0.340643710    -0.264036550     1.022512860 
H26 H     0.287730080     0.300737700     1.045654770 
H27 H     0.405640370     0.045218720     1.058884850 
H28 H     0.057491700    -0.004974130     1.050745470 
H29 H     0.178843350    -0.260482150     1.063253290 
H30 H     0.076962770     0.232655470     1.089597100 
H31 H     0.128885960     0.257896560     1.130023030 
H32 H     0.143469460     0.375498400     1.171863970 
H33 H     0.242363320     0.297787190     1.215101800 
H34 H     0.496577520    -0.391203860     1.187947190 
H35 H     0.395796640    -0.312178680     1.143929420 
H36 H     0.459763100    -0.035638740     1.265506190 
H37 H     0.274658420     0.044312020     1.252695730 
H38 H     0.435913920     0.259662720     1.246145290 

#END
data_-165.197_gel26b_1_4952 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
_cell_length_a 26.8762
_cell_length_b 33.8567
_cell_length_c 4.5238
_cell_angle_alpha 135.7928
_cell_angle_beta 57.573
_cell_angle_gamma 163.2297
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -0.839461970    -0.541467690     0.310123220 
C2 C    -0.639331950    -0.387574370     0.319718320 
C3 C    -0.417294540    -0.202733360     0.793608610 
C4 C    -0.215645780    -0.047394930     0.808143870 
C5 C     0.006078880     0.137108150     1.281347740 
C6 C     0.208567260     0.293562450     1.298709710 
C7 C     0.429884680     0.477504130     1.770201630 
C8 C     0.633697260     0.635718070     1.792144300 
C9 C     0.854115540     0.818452560     2.260157840 
C10 C     1.059691260     0.979012470     2.288287790 
C11 C     1.278284520     1.159370790     2.749785590 
C12 C     1.485983680     1.322747360     2.785459230 
C13 C     1.700455930     1.497984390     3.233905520 
C14 C     1.907690710     1.661636100     3.268285350 
C15 C     2.074338590     1.738218670     3.444144380 
C16 C     2.303913190     1.883581210     3.822017690 
C17 C     2.526313680     2.083789240     4.358002470 
C18 C     2.568886860     2.073508330     4.322490180 
C19 C     2.386288320     1.859202120     3.740697760 
C20 C     2.163334060     1.658378240     3.203313040 
C21 C     2.120757340     1.668335420     3.237722900 
C22 C     2.631563560     2.028223470     4.181902740 
N1 N     2.109610390     1.824372940     3.676079600 
N2 N     2.276400490     1.909825060     3.900580960 
O1 O     1.882870910     1.530540950     2.885779580 
O2 O     2.407369550     1.828048290     3.648831490 
H1 H    -0.995558900    -0.671641490    -0.031584910 
H2 H    -0.926987280    -0.649838420     0.179228610 
H3 H    -0.750153640    -0.421476480     0.778930170 
H4 H    -0.559413840    -0.285752900     0.436663370 
H5 H    -0.734786920    -0.512304220    -0.158193950 
H6 H    -0.321865270    -0.078033230     1.272012230 
H7 H    -0.497085200    -0.304530410     0.676376000 
H8 H    -0.135794060     0.054514670     0.926095910 
H9 H    -0.311181840    -0.172137670     0.329571750 
H10 H     0.100924260     0.261175070     1.759502930 
H11 H    -0.073614720     0.035141710     1.161786270 
H12 H     0.288701650     0.396021620     1.420102450 
H13 H     0.113705890     0.169577000     0.820278350 
H14 H     0.523629240     0.600394730     2.247942020 
H15 H     0.349948550     0.374906740     1.646117890 
H16 H     0.714532570     0.739287650     1.919679420 
H17 H     0.539865280     0.512931610     1.313871920 
H18 H     0.946428440     0.939729980     2.737468460 
H19 H     0.773510490     0.714653040     2.128733230 
H20 H     1.141950790     1.084551870     2.425638850 
H21 H     0.967163830     0.857858100     1.810117760 
H22 H     1.369002570     1.278667620     3.226807940 
H23 H     1.196394950     1.053583390     2.607149870 
H24 H     1.570782210     1.431529810     2.937833360 
H25 H     1.394716820     1.203490940     2.307069330 
H26 H     1.791902460     1.616853490     3.713360860 
H27 H     1.617516890     1.389687110     3.071740140 
H28 H     2.000294720     1.777871910     3.443595940 
H29 H     1.817706430     1.543981980     2.792659380 
H30 H     2.267978520     1.995432540     4.139775450 
H31 H     2.424575010     2.075695130     4.347269080 
H32 H     2.670208800     2.251902720     4.814354400 
H33 H     2.743921460     2.232985360     4.749659220 
H34 H     2.023073400     1.493056370     2.754406070 
H35 H     1.948130450     1.512403070     2.820238150 
H36 H     2.610382040     1.966006040     4.007172490 
H37 H     2.808243670     2.195344890     4.381462800 
H38 H     2.646972130     2.073289840     4.555850580 

#END
data_-165.190_gel26b_14_21437 
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 33.9155
_cell_length_b 8.7455
_cell_length_c 9.1284
_cell_angle_alpha 90.0
_cell_angle_beta 62.0206
_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     0.287341940     0.810709740    -0.531548890 
C2 C     0.248114910     0.711715790    -0.412932860 
C3 C     0.209021070     0.805342760    -0.284631720 
C4 C     0.169633570     0.707419130    -0.165087220 
C5 C     0.130540490     0.801094550    -0.037004240 
C6 C     0.091285860     0.703035370     0.083206120 
C7 C     0.052118210     0.796650770     0.210963790 
C8 C     0.013071520     0.698441380     0.332221520 
C9 C    -0.026241670     0.792000020     0.459270070 
C10 C    -0.065010410     0.693628490     0.581921880 
C11 C    -0.104573360     0.787170060     0.707555300 
C12 C    -0.143014550     0.688671880     0.831879810 
C13 C    -0.182989520     0.782430280     0.954400470 
C14 C    -0.220880380     0.681959870     1.078786220 
C15 C    -0.291763390     0.812077160     1.148705060 
C16 C    -0.363006880     0.963357660     1.261497810 
C17 C    -0.392304760     1.051741100     1.396012690 
C18 C    -0.430432530     1.116760160     1.401078080 
C19 C    -0.439783910     1.093675970     1.269386530 
C20 C    -0.410494770     1.005326330     1.134480890 
C21 C    -0.372578820     0.940529010     1.129280970 
C22 C    -0.506704580     1.240962730     1.395763370 
N1 N    -0.259922010     0.768326270     1.193357570 
N2 N    -0.325252910     0.901902690     1.266566780 
O1 O    -0.290208750     0.772693130     1.017795480 
O2 O    -0.476098490     1.151548880     1.260808610 
H1 H     0.314767650     0.741048910    -0.621669920 
H2 H     0.277140630     0.889502030    -0.600680670 
H3 H     0.300398200     0.879493480    -0.463783140 
H4 H     0.259476480     0.631420550    -0.348352670 
H5 H     0.236359220     0.641475460    -0.484153950 
H6 H     0.220768970     0.875873270    -0.213441550 
H7 H     0.197586280     0.885604320    -0.349165840 
H8 H     0.181093990     0.627334830    -0.100500660 
H9 H     0.157936280     0.636760770    -0.236317820 
H10 H     0.142276010     0.872251850     0.033754800 
H11 H     0.118942840     0.880706920    -0.101548630 
H12 H     0.102883770     0.623758240     0.148047030 
H13 H     0.079622620     0.631514830     0.012489410 
H14 H     0.063842020     0.868974490     0.280917390 
H15 H     0.040309160     0.875154370     0.146157900 
H16 H     0.024861270     0.620556360     0.397622450 
H17 H     0.001491490     0.625470020     0.262311330 
H18 H    -0.014592920     0.866101160     0.528133080 
H19 H    -0.038316380     0.868764130     0.393892710 
H20 H    -0.053000580     0.617904580     0.648379530 
H21 H    -0.076404680     0.618491730     0.513090930 
H22 H    -0.093139460     0.863798680     0.775109650 
H23 H    -0.116967120     0.861291110     0.641173600 
H24 H    -0.130771810     0.616186440     0.900144660 
H25 H    -0.154000070     0.610492960     0.764255320 
H26 H    -0.172420950     0.862350420     1.021851790 
H27 H    -0.196143630     0.851233750     0.886993850 
H28 H    -0.209414860     0.613650500     1.151889670 
H29 H    -0.231716410     0.603025990     1.012163140 
H30 H    -0.261733190     0.803610530     1.301246080 
H31 H    -0.323009220     0.927253660     1.370069360 
H32 H    -0.385450400     1.070723590     1.499462630 
H33 H    -0.452212820     1.184386840     1.507758610 
H34 H    -0.418149760     0.988289230     1.033023730 
H35 H    -0.350193910     0.872479980     1.024643470 
H36 H    -0.532770430     1.274694180     1.364613430 
H37 H    -0.521630840     1.175172290     1.511536100 
H38 H    -0.490799990     1.343717140     1.412904010 

#END
data_-165.170_gel26b_1_5221 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
_cell_length_a 24.7484
_cell_length_b 4.5237
_cell_length_c 33.8576
_cell_angle_alpha 135.7891
_cell_angle_beta 155.3433
_cell_angle_gamma 66.4528
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -1.192521330    -3.663997930    -1.312176330 
C2 C    -0.992384940    -3.454229930    -1.158271590 
C3 C    -0.770345340    -2.758308050    -0.973433420 
C4 C    -0.568690150    -2.542081130    -0.818083580 
C5 C    -0.346963330    -1.847158550    -0.633583380 
C6 C    -0.144468340    -1.627264670    -0.477117540 
C7 C     0.076851140    -0.934461580    -0.293178800 
C8 C     0.280670600    -0.708661800    -0.134953090 
C9 C     0.501090770    -0.020236860     0.047778320 
C10 C     0.706673750     0.213514660     0.208350280 
C11 C     0.925268530     0.893597600     0.388705270 
C12 C     1.132975400     1.137017800     0.552094220 
C13 C     1.347448430     1.799925630     0.727327340 
C14 C     1.554691230     2.041589060     0.890991780 
C15 C     1.721315800     2.383996690     0.967550920 
C16 C     1.950873780     2.991365110     1.112893870 
C17 C     2.173282090     3.749764440     1.313103340 
C18 C     2.215837170     3.756753320     1.302805940 
C19 C     2.033212090     2.992274070     1.088481290 
C20 C     1.810249950     2.231920780     0.887655900 
C21 C     1.767691200     2.223825470     0.897629480 
C22 C     2.278475150     3.678690720     1.257486510 
N1 N     1.756610960     2.651290890     1.053724570 
N2 N     1.923380670     3.042492340     1.139155140 
O1 O     1.529827080     1.634097230     0.759859590 
O2 O     2.054273860     2.921413380     1.057310310 
H1 H    -1.348619710    -4.161797850    -1.442347820 
H2 H    -1.280065730    -3.882497920    -1.420565750 
H3 H    -1.103197420    -3.105841160    -1.192177670 
H4 H    -0.912447980    -3.257287350    -1.056431540 
H5 H    -1.087855480    -4.027638430    -1.283008820 
H6 H    -0.674900530    -2.184434010    -0.848725940 
H7 H    -0.850154870    -2.955410800    -1.075249060 
H8 H    -0.488819540    -2.344197850    -0.716155400 
H9 H    -0.664241730    -3.116230360    -0.942833660 
H10 H    -0.252102510    -1.274117300    -0.509509220 
H11 H    -0.426675870    -2.046493190    -0.735568410 
H12 H    -0.064314990    -1.425657890    -0.374639760 
H13 H    -0.239345100    -2.200597840    -0.601110170 
H14 H     0.170610960    -0.362936790    -0.170281160 
H15 H    -0.003104020    -1.138561170    -0.395794780 
H16 H     0.361525030    -0.500211480    -0.031364890 
H17 H     0.186823460    -1.280805560    -0.257746490 
H18 H     0.593418640     0.549425200     0.169062480 
H19 H     0.420466520    -0.232346480    -0.056039810 
H20 H     0.788952600     0.433205500     0.313908330 
H21 H     0.614131490    -0.357220650     0.087189350 
H22 H     1.016001160     1.461374700     0.508008380 
H23 H     0.843359530     0.668992000     0.282899230 
H24 H     1.217793570     1.374271240     0.660895370 
H25 H     1.041694190     0.567325400     0.432831770 
H26 H     1.438909040     2.370861930     0.846202180 
H27 H     1.264489600     1.554740650     0.619011490 
H28 H     1.647315270     2.309585080     1.007246350 
H29 H     1.464692880     1.475944230     0.773331870 
H30 H     1.914996100     3.273408470     1.224794980 
H31 H     2.071573570     3.637414740     1.305037530 
H32 H     2.317197810     4.350079870     1.481231080 
H33 H     2.390878690     4.358970970     1.462284780 
H34 H     1.669968620     1.642684260     0.722319630 
H35 H     1.595058030     1.633702090     0.741695810 
H36 H     2.257275520     3.482711500     1.195254100 
H37 H     2.455170930     4.054998630     1.424623880 
H38 H     2.293890640     4.068052030     1.302551790 

#END
data_-164.984_gel26b_14_26627 
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 5.7933
_cell_length_b 8.7629
_cell_length_c 54.706
_cell_angle_alpha 90.0
_cell_angle_beta 127.3893
_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     0.958252890     1.609153380     0.892179530 
C2 C     0.964400100     1.703000230     0.869000900 
C3 C     1.040713140     1.607991840     0.851323250 
C4 C     1.048119680     1.700823360     0.828120540 
C5 C     1.124034520     1.605739320     0.810427270 
C6 C     1.133325480     1.698855810     0.787376800 
C7 C     1.208238610     1.603752460     0.769598670 
C8 C     1.220505160     1.697254490     0.746788360 
C9 C     1.293338220     1.602044220     0.728840160 
C10 C     1.309581230     1.696022680     0.706351320 
C11 C     1.378489120     1.600524000     0.688097410 
C12 C     1.399491960     1.695004160     0.665991330 
C13 C     1.460509690     1.598687250     0.647176980 
C14 C     1.483815520     1.695392100     0.625452770 
C15 C     1.302269890     1.541237270     0.579488550 
C16 C     1.206088630     1.371552720     0.537169580 
C17 C     1.341059490     1.287323660     0.527414680 
C18 C     1.180205440     1.205105690     0.499979170 
C19 C     0.877623880     1.206294870     0.481724580 
C20 C     0.741875920     1.290435770     0.491442430 
C21 C     0.901490030     1.372313670     0.518709220 
C22 C     0.827498300     1.044426820     0.443725020 
N1 N     1.532352270     1.605803120     0.606547420 
N2 N     1.385318260     1.451378550     0.565209660 
O1 O     1.050550440     1.563963380     0.569314470 
O2 O     0.697859020     1.130257270     0.454428910 
H1 H     0.903445970     1.679718110     0.904476440 
H2 H     0.797468360     1.517430100     0.880699530 
H3 H     1.169642160     1.556398900     0.909297080 
H4 H     1.121843880     1.796187560     0.880976960 
H5 H     0.752457740     1.757383400     0.852576030 
H6 H     1.252635350     1.553314380     0.867746620 
H7 H     0.882987580     1.514807850     0.839293590 
H8 H     1.206118220     1.793851680     0.840178400 
H9 H     0.836335890     1.755646620     0.811729910 
H10 H     1.335242210     1.550381250     0.826821810 
H11 H     0.965315300     1.513115140     0.798255610 
H12 H     1.292698700     1.791187460     0.799580320 
H13 H     0.922457800     1.754613400     0.771032640 
H14 H     1.418166490     1.547132960     0.785948050 
H15 H     1.047687180     1.512085580     0.757216550 
H16 H     1.382257130     1.788378090     0.759217860 
H17 H     1.011195990     1.754589450     0.730537750 
H18 H     1.501294190     1.543492170     0.745087480 
H19 H     1.129930660     1.511890710     0.716165880 
H20 H     1.474999450     1.785257040     0.719086600 
H21 H     1.102664520     1.755726000     0.690277910 
H22 H     1.583569200     1.539202200     0.704135540 
H23 H     1.210899720     1.512693830     0.675033610 
H24 H     1.570352410     1.781388890     0.679127940 
H25 H     1.196074980     1.758067150     0.650256120 
H26 H     1.662006250     1.533678510     0.662618700 
H27 H     1.285817130     1.515602080     0.633317510 
H28 H     1.661157570     1.777898420     0.638475770 
H29 H     1.282838550     1.759403130     0.609894470 
H30 H     1.737946060     1.584023690     0.614591590 
H31 H     1.599902510     1.440825920     0.575792640 
H32 H     1.576556270     1.285310680     0.541395830 
H33 H     1.293757820     1.141455310     0.493305590 
H34 H     0.506742360     1.290393390     0.477049350 
H35 H     0.794687520     1.436941290     0.526001600 
H36 H     0.648871100     0.994327760     0.421954530 
H37 H     0.956697890     1.117030590     0.439856100 
H38 H     0.965658330     0.952986190     0.459822700 

#END
data_-164.771_gel26b_4_14331 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 94.4939
_cell_length_b 4.6708
_cell_length_c 7.5687
_cell_angle_alpha 90.0
_cell_angle_beta 160.4069
_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     0.742915690     0.036326560     2.566914070 
C2 C     0.701637780     0.200201490     2.053836870 
C3 C     0.662488530     0.024206240     1.640703430 
C4 C     0.621011130     0.185884510     1.125378680 
C5 C     0.581890550     0.009961310     0.712817290 
C6 C     0.540411070     0.171128030     0.196296360 
C7 C     0.501283280    -0.004307930    -0.215800160 
C8 C     0.459800930     0.155947500    -0.734166450 
C9 C     0.420669400    -0.018588330    -1.145134050 
C10 C     0.379184620     0.140386510    -1.665927700 
C11 C     0.340072910    -0.032600480    -2.074417750 
C12 C     0.298582600     0.124732530    -2.598104310 
C13 C     0.259605340    -0.045561460    -3.000431290 
C14 C     0.218420820     0.114032810    -3.523325510 
C15 C     0.167177170    -0.019336250    -3.896550840 
C16 C     0.110686270    -0.219433160    -4.363396140 
C17 C     0.076842840    -0.410437880    -4.755945740 
C18 C     0.053277250    -0.450135820    -4.879635700 
C19 C     0.063512410    -0.296654210    -4.607158210 
C20 C     0.097399920    -0.105408710    -4.213658430 
C21 C     0.120852640    -0.065573210    -4.090343800 
C22 C     0.007974430    -0.508288700    -5.092730450 
N1 N     0.180903900    -0.039632690    -3.907041190 
N2 N     0.132805310    -0.192447240    -4.263913070 
O1 O     0.183912040     0.139924050    -3.592723250 
O2 O     0.042680110    -0.317803110    -4.694512400 
H1 H     0.770327150     0.166744760     2.854474650 
H2 H     0.746491560    -0.029508340     2.746929790 
H3 H     0.743807880    -0.157400010     2.496169360 
H4 H     0.699338700     0.269592780     1.888733040 
H5 H     0.701974080     0.396333690     2.137382330 
H6 H     0.662156120    -0.172389180     1.557388740 
H7 H     0.664735120    -0.045013730     1.805378630 
H8 H     0.618777120     0.254709310     0.960790360 
H9 H     0.621378360     0.382628660     1.208914080 
H10 H     0.581615020    -0.187380960     0.630917230 
H11 H     0.584024790    -0.057804590     0.876449500 
H12 H     0.538245470     0.238100790     0.032148570 
H13 H     0.540720700     0.368922550     0.278149210 
H14 H     0.501121140    -0.203060440    -0.295014400 
H15 H     0.503298330    -0.069548050    -0.053080070 
H16 H     0.457709540     0.219729110    -0.898035250 
H17 H     0.460037290     0.355499620    -0.654897500 
H18 H     0.420626840    -0.219473960    -1.220822210 
H19 H     0.422559270    -0.079881590    -0.983183000 
H20 H     0.377135960     0.199234570    -1.830136870 
H21 H     0.379366030     0.342528590    -1.589961520 
H22 H     0.340101870    -0.236477810    -2.146122280 
H23 H     0.341842940    -0.087967810    -1.912960640 
H24 H     0.296508830     0.176220030    -2.763763410 
H25 H     0.298818800     0.330441060    -2.525422030 
H26 H     0.259157540    -0.253318340    -3.073243200 
H27 H     0.260934740    -0.089487320    -2.842898010 
H28 H     0.215320920     0.156375220    -3.701358000 
H29 H     0.218612850     0.320024340    -3.452996650 
H30 H     0.166825760    -0.174707010    -4.157754280 
H31 H     0.121664890    -0.315314120    -4.493917160 
H32 H     0.068507170    -0.531487770    -4.971416760 
H33 H     0.027312200    -0.600264460    -5.186704870 
H34 H     0.105013930     0.012446150    -4.005065110 
H35 H     0.146935330     0.082603290    -3.786159480 
H36 H    -0.003975550    -0.491970220    -5.098800400 
H37 H    -0.017069080    -0.448286190    -5.480145900 
H38 H     0.017587190    -0.729881080    -5.005480470 

#END
data_-164.719_gel26b_60_30677 
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 8.8097
_cell_length_b 9.1757
_cell_length_c 58.4254
_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    -0.188539350     0.455820120     0.646514860 
C2 C    -0.286443800     0.502360890     0.626162400 
C3 C    -0.194009660     0.568498320     0.606560000 
C4 C    -0.290877060     0.615744460     0.586130170 
C5 C    -0.198382960     0.681668930     0.566527940 
C6 C    -0.295444450     0.729794140     0.546167370 
C7 C    -0.202978980     0.795266420     0.526525890 
C8 C    -0.300283140     0.844775750     0.506273930 
C9 C    -0.207809590     0.909294860     0.486555910 
C10 C    -0.305399510     0.960650410     0.466449260 
C11 C    -0.212821510     1.023340960     0.446599820 
C12 C    -0.310685970     1.076905070     0.426664670 
C13 C    -0.217649810     1.135818400     0.406597860 
C14 C    -0.317567160     1.190273310     0.386939800 
C15 C    -0.180256400     1.146554820     0.350965000 
C16 C    -0.024281500     1.145887530     0.314955280 
C17 C     0.060922670     1.234482580     0.300397350 
C18 C     0.131655970     1.178387470     0.280970260 
C19 C     0.117676760     1.030603260     0.275829080 
C20 C     0.032529210     0.941606990     0.290381910 
C21 C    -0.037940350     0.997221830     0.309700300 
C22 C     0.268196560     1.050531150     0.242059350 
N1 N    -0.231578070     1.242492890     0.367314320 
N2 N    -0.091978780     1.211598500     0.334220350 
O1 O    -0.212313910     1.017148370     0.351392700 
O2 O     0.181769890     0.963657250     0.257287500 
H1 H    -0.257321510     0.409108480     0.660252710 
H2 H    -0.104868030     0.373901040     0.641400320 
H3 H    -0.126371980     0.548676390     0.653607580 
H4 H    -0.371552940     0.581642860     0.631861750 
H5 H    -0.350087890     0.408195870     0.619729000 
H6 H    -0.130074940     0.662634170     0.612990330 
H7 H    -0.108923820     0.489136730     0.600822860 
H8 H    -0.375794540     0.695210440     0.591881240 
H9 H    -0.354944980     0.521647490     0.579725430 
H10 H    -0.133801080     0.775387330     0.572953260 
H11 H    -0.113911850     0.601989100     0.560704560 
H12 H    -0.379599780     0.809785920     0.551992570 
H13 H    -0.360401140     0.636221520     0.539778150 
H14 H    -0.137194540     0.888224000     0.532947720 
H15 H    -0.119555780     0.714913540     0.520589210 
H16 H    -0.383122880     0.925718420     0.512203870 
H17 H    -0.366736640     0.752071440     0.499924080 
H18 H    -0.140190350     1.001132240     0.492943180 
H19 H    -0.126032890     0.827837410     0.480475210 
H20 H    -0.386193900     1.043124010     0.472502050 
H21 H    -0.374090770     0.869222400     0.460189700 
H22 H    -0.142587940     1.113643330     0.452882630 
H23 H    -0.133553610     0.940212980     0.440343660 
H24 H    -0.388411020     1.161731310     0.432852010 
H25 H    -0.382529420     0.987212090     0.420607590 
H26 H    -0.143999230     1.224723050     0.412445620 
H27 H    -0.143464070     1.050118510     0.399929440 
H28 H    -0.391287140     1.278804250     0.392749570 
H29 H    -0.390240010     1.101789440     0.380959020 
H30 H    -0.202265800     1.348390340     0.366698310 
H31 H    -0.072967660     1.319487180     0.335653000 
H32 H     0.072829960     1.349786460     0.304185420 
H33 H     0.196532350     1.250983690     0.270166550 
H34 H     0.022577760     0.827028430     0.286191320 
H35 H    -0.103452600     0.927655200     0.320818030 
H36 H     0.307845290     0.977256670     0.228678200 
H37 H     0.199164430     1.136985400     0.234346680 
H38 H     0.366340040     1.099630890     0.250645730 

#END
data_-164.535_gel26b_61_32389 
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 4.5835
_cell_length_b 9.6764
_cell_length_c 102.7345
_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     0.908777610     0.358605010     0.012224770 
C2 C     1.080475250     0.447877260     0.021834660 
C3 C     0.894184760     0.500906180     0.033147090 
C4 C     1.063642940     0.590595820     0.042804780 
C5 C     0.877381780     0.643418640     0.054120330 
C6 C     1.046537320     0.733873060     0.063726820 
C7 C     0.860668680     0.786341870     0.075069140 
C8 C     1.029234420     0.877983410     0.084596030 
C9 C     0.844061800     0.929680680     0.095992180 
C10 C     1.011771640     1.022894700     0.105413120 
C11 C     0.827754630     1.073071450     0.116905030 
C12 C     0.994321680     1.168150230     0.126201350 
C13 C     0.812187510     1.215063690     0.137863870 
C14 C     0.981555010     1.311222870     0.146969970 
C15 C     0.805145940     1.270796270     0.169241350 
C16 C     0.567111810     1.263480460     0.191264550 
C17 C     0.373222140     1.333347560     0.199413530 
C18 C     0.305192730     1.283593540     0.211774050 
C19 C     0.432498830     1.161362590     0.216179200 
C20 C     0.626552260     1.091128350     0.208038410 
C21 C     0.694547780     1.140492780     0.195747350 
C22 C     0.188267500     1.171588770     0.236647150 
N1 N     0.815972780     1.353696780     0.158376740 
N2 N     0.623613590     1.321101730     0.178920680 
O1 O     0.946487610     1.164258960     0.170103830 
O2 O     0.382439610     1.102909450     0.228089230 
H1 H     1.046809270     0.322232470     0.004251540 
H2 H     0.816690370     0.267747150     0.017057800 
H3 H     0.727509960     0.416641260     0.007960320 
H4 H     1.176162550     0.536196140     0.016688090 
H5 H     1.264462020     0.388417650     0.025728160 
H6 H     0.709694790     0.560262210     0.029259230 
H7 H     0.798637100     0.412561440     0.038315380 
H8 H     1.158801430     0.678972380     0.037629600 
H9 H     1.248317630     0.531285340     0.046676280 
H10 H     0.691997500     0.702228890     0.050248070 
H11 H     0.783257310     0.555049610     0.059332830 
H12 H     1.139886070     0.822429710     0.058513590 
H13 H     1.232461430     0.675259810     0.067572630 
H14 H     0.673605880     0.844145270     0.071222460 
H15 H     0.769013970     0.697781120     0.080339710 
H16 H     1.119459460     0.966913050     0.079329590 
H17 H     1.217256160     0.820517820     0.088391370 
H18 H     0.654447220     0.986013740     0.092200360 
H19 H     0.756276790     0.840742290     0.101335570 
H20 H     1.097154730     1.112491590     0.100085660 
H21 H     1.202905410     0.967093510     0.109115720 
H22 H     0.634531600     1.127419950     0.113221490 
H23 H     0.745804460     0.983524040     0.122334690 
H24 H     1.072463440     1.258848200     0.120809470 
H25 H     1.189788370     1.114561150     0.129732030 
H26 H     0.614216280     1.267662790     0.134481390 
H27 H     0.741599850     1.125062150     0.143490610 
H28 H     1.050508260     1.404484400     0.141795320 
H29 H     1.177646100     1.258861290     0.150433870 
H30 H     0.695061400     1.440294640     0.157857330 
H31 H     0.517561320     1.410248490     0.177108140 
H32 H     0.272356570     1.428663280     0.196113410 
H33 H     0.153889840     1.341072510     0.217762650 
H34 H     0.723898010     0.996323110     0.211578850 
H35 H     0.844656440     1.085563730     0.189540660 
H36 H     0.180268510     1.109055990     0.245449590 
H37 H     0.266509140     1.275455080     0.239099180 
H38 H    -0.031549890     1.179218590     0.232499060 

#END
data_-164.423_gel26b_15_77067 
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 71.947
_cell_length_b 9.2186
_cell_length_c 8.9953
_cell_angle_alpha 90.0
_cell_angle_beta 124.0963
_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     0.125314410     1.172748560     0.162985130 
C2 C     0.103548390     1.101621530     0.118547910 
C3 C     0.087104510     1.209497300     0.114621290 
C4 C     0.065291740     1.139435360     0.070691700 
C5 C     0.048848340     1.247364990     0.066549150 
C6 C     0.027102480     1.177060080     0.023805090 
C7 C     0.010618120     1.284997210     0.019026230 
C8 C    -0.011021320     1.214369500    -0.021847360 
C9 C    -0.027584400     1.322380680    -0.027935710 
C10 C    -0.049080580     1.251357760    -0.066309190 
C11 C    -0.065777690     1.359579250    -0.074837940 
C12 C    -0.087103140     1.288149380    -0.110224230 
C13 C    -0.104019020     1.396979000    -0.123548650 
C14 C    -0.125120340     1.323341970    -0.157043060 
C15 C    -0.156905390     1.488870840    -0.339217000 
C16 C    -0.188063460     1.672549740    -0.474996890 
C17 C    -0.199682940     1.768749530    -0.435287500 
C18 C    -0.217094130     1.854530250    -0.567831230 
C19 C    -0.223153190     1.844814530    -0.744391000 
C20 C    -0.211539350     1.748668580    -0.784534630 
C21 C    -0.194229560     1.663241300    -0.652917780 
C22 C    -0.252167760     2.021317370    -0.849922060 
N1 N    -0.141809890     1.424997140    -0.176147140 
N2 N    -0.170688200     1.589911120    -0.332829840 
O1 O    -0.157909790     1.456665820    -0.475191290 
O2 O    -0.239919930     1.923304300    -0.885173300 
H1 H     0.136742320     1.093367450     0.165003840 
H2 H     0.121924300     1.255892650     0.063900470 
H3 H     0.134119400     1.225284060     0.294666020 
H4 H     0.107456880     1.016496120     0.217175390 
H5 H     0.095339720     1.047008110    -0.011900770 
H6 H     0.095316920     1.264387620     0.245052790 
H7 H     0.083158510     1.294638150     0.015752400 
H8 H     0.069255720     1.054440410     0.169742040 
H9 H     0.057101130     1.084393890    -0.059605290 
H10 H     0.057069060     1.302865880     0.196582520 
H11 H     0.044802760     1.332009830    -0.033063130 
H12 H     0.031158880     1.092714950     0.123778230 
H13 H     0.018908570     1.121170740    -0.105960430 
H14 H     0.018860000     1.341626900     0.148359450 
H15 H     0.006434740     1.368760700    -0.081849880 
H16 H    -0.006827650     1.131170180     0.079667670 
H17 H    -0.019208060     1.157038630    -0.150678420 
H18 H    -0.019338350     1.380762840     0.100250580 
H19 H    -0.031951670     1.404724320    -0.130705950 
H20 H    -0.044711920     1.169981050     0.037492400 
H21 H    -0.057226310     1.191839610    -0.193635970 
H22 H    -0.057578770     1.420515190     0.051549360 
H23 H    -0.070382500     1.439714890    -0.180299250 
H24 H    -0.082519790     1.209558990    -0.003139880 
H25 H    -0.095118580     1.225472950    -0.235185950 
H26 H    -0.096167430     1.461563190    -0.000113510 
H27 H    -0.109155880     1.472709190    -0.233849940 
H28 H    -0.120788750     1.248956580    -0.047302170 
H29 H    -0.133075370     1.259820070    -0.280502760 
H30 H    -0.141172590     1.454525450    -0.065701020 
H31 H    -0.168302000     1.607666340    -0.212750370 
H32 H    -0.195147830     1.777500190    -0.298366550 
H33 H    -0.225643330     1.927554430    -0.531077340 
H34 H    -0.216413990     1.742180040    -0.922190570 
H35 H    -0.185376080     1.589334350    -0.685271180 
H36 H    -0.264551570     2.071435250    -0.978128860 
H37 H    -0.260818930     1.965060880    -0.797880100 
H38 H    -0.241291260     2.105751260    -0.754459840 

#END
data_-164.423_gel26b_15_57965 
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 59.7377
_cell_length_b 9.2186
_cell_length_c 8.9953
_cell_angle_alpha 90.0
_cell_angle_beta 94.1772
_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     0.625314430     0.672748410     0.661727380 
C2 C     0.603548410     0.601621400     0.704354270 
C3 C     0.587104520     0.709497190     0.766203180 
C4 C     0.565291750     0.639435280     0.809524710 
C5 C     0.548848350     0.747364920     0.871155720 
C6 C     0.527102490     0.677060030     0.915395130 
C7 C     0.510618130     0.784997170     0.976553700 
C8 C     0.488978690     0.714369490     1.022237900 
C9 C     0.472415600     0.822380680     1.082401880 
C10 C     0.450919420     0.751357780     1.130013160 
C11 C     0.434222310     0.859579290     1.188272790 
C12 C     0.412896850     0.788149440     1.238188370 
C13 C     0.395980970     0.896979070     1.292527440 
C14 C     0.374879650     0.823342070     1.343438360 
C15 C     0.343094610     0.988870900     1.288404570 
C16 C     0.311936540     1.172549790     1.277256920 
C17 C     0.300317050     1.268749600     1.363444210 
C18 C     0.282905870     1.354530300     1.300545210 
C19 C     0.276846810     1.344814530     1.148221710 
C20 C     0.288460650     1.248668550     1.061622750 
C21 C     0.305770440     1.163241300     1.124000440 
C22 C     0.247832240     1.521317360     1.158748860 
N1 N     0.358190100     0.924997240     1.391092460 
N2 N     0.329311790     1.089911200     1.349922950 
O1 O     0.342090210     0.956665840     1.156447900 
O2 O     0.260080070     1.423304260     1.074506340 
H1 H     0.636742340     0.593367290     0.618034470 
H2 H     0.621924330     0.755892470     0.576203130 
H3 H     0.634119420     0.725283940     0.758188280 
H4 H     0.607456890     0.516496030     0.787347860 
H5 H     0.595339750     0.547007960     0.606740300 
H6 H     0.595316930     0.764387540     0.863784990 
H7 H     0.583158530     0.794638010     0.683118250 
H8 H     0.569255730     0.554440350     0.892719160 
H9 H     0.557101150     0.584393770     0.711990190 
H10 H     0.557069070     0.802865840     0.968306180 
H11 H     0.544802780     0.832009720     0.787725730 
H12 H     0.531158890     0.592714930     0.999142720 
H13 H     0.518908580     0.621170650     0.818405290 
H14 H     0.518860000     0.841626890     1.072919390 
H15 H     0.506434750     0.868760620     0.892411100 
H16 H     0.493172350     0.631170200     1.106978320 
H17 H     0.480791950     0.657038590     0.926153830 
H18 H     0.480661650     0.880762860     1.177603900 
H19 H     0.468048340     0.904724280     0.997100650 
H20 H     0.455288080     0.669981110     1.216340130 
H21 H     0.442773690     0.691839610     1.035269320 
H22 H     0.442421220     0.920515260     1.281864420 
H23 H     0.429617500     0.939714890     1.101230710 
H24 H     0.417480210     0.709559090     1.326939330 
H25 H     0.404881420     0.725472980     1.145288420 
H26 H     0.403832560     0.961563280     1.384556210 
H27 H     0.390844120     0.972709220     1.202773560 
H28 H     0.379211240     0.748956710     1.435852910 
H29 H     0.366924630     0.759820140     1.251798800 
H30 H     0.358827400     0.954525590     1.498989360 
H31 H     0.331697980     1.107666460     1.460457630 
H32 H     0.304852160     1.277500300     1.482224700 
H33 H     0.274356660     1.427554500     1.371495890 
H34 H     0.283586020     1.242179970     0.943465350 
H35 H     0.314623920     1.089334330     1.056233160 
H36 H     0.235448440     1.571435200     1.080077300 
H37 H     0.239181070     1.465060900     1.245395540 
H38 H     0.258708740     1.605751260     1.210705060 

#END
data_-164.411_gel26b_14_5844 
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 4.965
_cell_length_b 9.9051
_cell_length_c 49.1515
_cell_angle_alpha 90.0
_cell_angle_beta 103.8002
_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     0.156205630     0.064688460     0.889792070 
C2 C     0.349828550     0.095784700     0.918303900 
C3 C     0.206170200     0.172030870     0.937975940 
C4 C     0.398150410     0.203930710     0.966538480 
C5 C     0.254318590     0.279990830     0.986207160 
C6 C     0.446908920     0.312657340     1.014698000 
C7 C     0.302995400     0.388305100     1.034413290 
C8 C     0.496433000     0.422187860     1.062789100 
C9 C     0.352222980     0.496975430     1.082592360 
C10 C     0.546722280     0.532485880     1.110812640 
C11 C     0.401780980     0.605634090     1.130762570 
C12 C     0.597429320     0.643101640     1.158796720 
C13 C     0.450532890     0.712891280     1.178974960 
C14 C     0.650117750     0.750842530     1.206767960 
C15 C     0.394096860     0.735233280     1.243729730 
C16 C     0.117639310     0.761657290     1.280078640 
C17 C    -0.006788940     0.856742040     1.294111590 
C18 C    -0.148852760     0.818129880     1.314116920 
C19 C    -0.168286700     0.681710670     1.320383380 
C20 C    -0.044082960     0.586268000     1.306352910 
C21 C     0.097372990     0.624493050     1.286464570 
C22 C    -0.428898120     0.725886780     1.354354860 
N1 N     0.513812460     0.813445300     1.226696390 
N2 N     0.257202220     0.809515110     1.260167840 
O1 O     0.412128700     0.612298230     1.244176090 
O2 O    -0.301830140     0.632113330     1.339579880 
H1 H     0.263990080     0.010348650     0.876172630 
H2 H    -0.019089520     0.002489820     0.892119400 
H3 H     0.071628250     0.157573500     0.879006820 
H4 H     0.526826080     0.155291310     0.915332150 
H5 H     0.436575760     0.001406540     0.928361610 
H6 H     0.118890440     0.266424500     0.927909580 
H7 H     0.029195470     0.112453020     0.940993450 
H8 H     0.574851690     0.263626370     0.963497610 
H9 H     0.485678740     0.109550200     0.976580080 
H10 H     0.165744530     0.374096490     0.976118280 
H11 H     0.078366510     0.220044920     0.989352330 
H12 H     0.622387090     0.372933480     1.011538330 
H13 H     0.536198520     0.218626440     1.024760070 
H14 H     0.212020070     0.481888540     1.024275680 
H15 H     0.128741890     0.327608110     1.037735500 
H16 H     0.669816420     0.483508560     1.059452170 
H17 H     0.588682440     0.328730550     1.072869840 
H18 H     0.257600440     0.589802970     1.072415380 
H19 H     0.180619160     0.435050950     1.086152100 
H20 H     0.716870610     0.595483780     1.107247920 
H21 H     0.643385700     0.439862110     1.120883770 
H22 H     0.301988060     0.697447540     1.120595460 
H23 H     0.234212310     0.541845040     1.134631840 
H24 H     0.762746810     0.708673300     1.154949710 
H25 H     0.700280740     0.551584910     1.168764400 
H26 H     0.344210130     0.803973940     1.169178320 
H27 H     0.291395390     0.646074710     1.183541450 
H28 H     0.809402910     0.820424020     1.203213660 
H29 H     0.754825090     0.660301980     1.216683260 
H30 H     0.493542360     0.914523350     1.226518620 
H31 H     0.255833460     0.910670100     1.257988080 
H32 H     0.006600730     0.963351150     1.289446240 
H33 H    -0.242057430     0.895189430     1.324482610 
H34 H    -0.060720880     0.480654510     1.311417860 
H35 H     0.192610450     0.550070800     1.275760590 
H36 H    -0.521022420     0.666330690     1.368410830 
H37 H    -0.276833080     0.795983510     1.366711130 
H38 H    -0.591976390     0.783753310     1.340143940 

#END
data_-164.283_gel26b_2_12006 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 5.4682
_cell_length_b 8.3533
_cell_length_c 33.5206
_cell_angle_alpha 74.872
_cell_angle_beta 119.0295
_cell_angle_gamma 122.829
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.859160440     0.208232930     0.754269160 
C2 C     0.615622420     0.169332920     0.704225770 
C3 C     0.771297830     0.231417600     0.671333440 
C4 C     0.529745760     0.192759800     0.621181800 
C5 C     0.685566660     0.255091840     0.588314740 
C6 C     0.443642000     0.215206870     0.538189980 
C7 C     0.599378750     0.278099740     0.505290670 
C8 C     0.356998830     0.236324650     0.455213280 
C9 C     0.512712210     0.300422520     0.422263520 
C10 C     0.269805440     0.256149250     0.372253590 
C11 C     0.425686300     0.322563190     0.339243080 
C12 C     0.182286750     0.275352860     0.289315870 
C13 C     0.339112210     0.346521380     0.256299960 
C14 C     0.091779310     0.296158090     0.206602110 
C15 C     0.324549420     0.551452210     0.158319670 
C16 C     0.592558150     0.776610000     0.107769050 
C17 C     0.739367040     0.794613110     0.081267630 
C18 C     0.860834960     0.962191220     0.057843620 
C19 C     0.836356580     1.116059110     0.060757690 
C20 C     0.689694510     1.098504280     0.087291760 
C21 C     0.568644000     0.931942140     0.110587690 
C22 C     1.094751180     1.309756620     0.011867980 
N1 N     0.235142050     0.367838320     0.174342990 
N2 N     0.476326630     0.602100180     0.130303310 
O1 O     0.269659080     0.656443400     0.167941680 
O2 O     0.946328640     1.286968310     0.039309560 
H1 H     0.741686970     0.162494630     0.776984130 
H2 H     1.033841470     0.360304250     0.760241440 
H3 H     0.993052990     0.132716150     0.764344560 
H4 H     0.439129100     0.016913400     0.699417350 
H5 H     0.479838860     0.242914980     0.695323910 
H6 H     0.907689310     0.158062300     0.680259270 
H7 H     0.947686860     0.384030280     0.676078760 
H8 H     0.353723900     0.040105300     0.616467650 
H9 H     0.393113370     0.265902950     0.612286310 
H10 H     0.823346870     0.182581550     0.597329420 
H11 H     0.860550700     0.407917160     0.592876590 
H12 H     0.269295930     0.062272550     0.533632130 
H13 H     0.305121180     0.287207940     0.529192550 
H14 H     0.739747750     0.207124940     0.514479610 
H15 H     0.772035350     0.431299880     0.509612560 
H16 H     0.185503000     0.082944680     0.450879300 
H17 H     0.215320950     0.306371280     0.446069400 
H18 H     0.656978930     0.231851180     0.431661810 
H19 H     0.681772490     0.454140890     0.426274050 
H20 H     0.102669920     0.102162310     0.368190680 
H21 H     0.123461650     0.323187360     0.362949500 
H22 H     0.575409740     0.257546300     0.348834390 
H23 H     0.589338450     0.476907560     0.342857480 
H24 H     0.021607000     0.120572110     0.285564750 
H25 H     0.029500810     0.337955780     0.279927810 
H26 H     0.495418330     0.286579070     0.265548980 
H27 H     0.491641300     0.501531400     0.258935170 
H28 H    -0.061450010     0.141620290     0.202201100 
H29 H    -0.062731750     0.356775370     0.197164840 
H30 H     0.286085700     0.284822090     0.166273100 
H31 H     0.508847820     0.503434060     0.124799180 
H32 H     0.760197140     0.675975770     0.078683490 
H33 H     0.972618270     0.969884300     0.037703330 
H34 H     0.672239770     1.219075440     0.089263590 
H35 H     0.455770650     0.919781900     0.130959740 
H36 H     1.162504120     1.453361190    -0.001942850 
H37 H     0.929163520     1.206795080    -0.016327560 
H38 H     1.310639590     1.295309380     0.031958150 

#END
data_-164.283_gel26b_2_16229 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 33.8087
_cell_length_b 5.4682
_cell_length_c 8.3533
_cell_angle_alpha 57.1711
_cell_angle_beta 60.1026
_cell_angle_gamma 74.2175
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.254269190     0.096353320     0.283229140 
C2 C     0.204225810     0.002945330     0.422215700 
C3 C     0.171333460     0.257297750     0.425915810 
C4 C     0.121181810     0.166200520     0.564876690 
C5 C     0.088314740     0.420622610     0.568278880 
C6 C     0.038189980     0.329072120     0.708413160 
C7 C     0.005290660     0.583506800     0.711319020 
C8 C    -0.044786740     0.491358960     0.853248700 
C9 C    -0.077736510     0.745921630     0.855050460 
C10 C    -0.127746450     0.653044550     0.999343390 
C11 C    -0.160756970     0.907956950     0.998950590 
C12 C    -0.210684180     0.814338910     1.146015130 
C13 C    -0.243700110     1.070212150     1.140878560 
C14 C    -0.293397960     0.971972680     1.290637330 
C15 C    -0.341680380     1.349590210     1.131908170 
C16 C    -0.392230990     1.769250850     1.007851740 
C17 C    -0.418732440     1.995564020     1.042851620 
C18 C    -0.442156430     2.187304040     0.922121550 
C19 C    -0.439242320     2.154083490     0.762425380 
C20 C    -0.412708230     1.927819230     0.726911920 
C21 C    -0.389412320     1.736880860     0.846882190 
C22 C    -0.488132030     2.559147310     0.666507440 
N1 N    -0.325657090     1.212112800     1.283475460 
N2 N    -0.369696750     1.585416500     1.137293040 
O1 O    -0.332058330     1.265833870     1.007672810 
O2 O    -0.460690430     2.328400030     0.634412430 
H1 H     0.276984170    -0.089265090     0.283537400 
H2 H     0.260241490     0.253117590     0.119213320 
H3 H     0.264344560     0.200019660     0.338595300 
H4 H     0.199417360    -0.159122800     0.584252000 
H5 H     0.195323980    -0.106132650     0.366437160 
H6 H     0.180259260     0.366911750     0.481419640 
H7 H     0.176078800     0.419450920     0.263812570 
H8 H     0.116467650     0.004321010     0.726959410 
H9 H     0.112286350     0.056254590     0.509524320 
H10 H     0.097329390     0.531358790     0.622760020 
H11 H     0.092876610     0.581921180     0.406329930 
H12 H     0.033632110     0.168399520     0.870463120 
H13 H     0.029192570     0.217543600     0.654406760 
H14 H     0.014479570     0.696309000     0.763916150 
H15 H     0.009612560     0.743197840     0.549475190 
H16 H    -0.049120740     0.332864970     1.015296560 
H17 H    -0.053930590     0.377112710     0.801489620 
H18 H    -0.068338250     0.861993500     0.904825430 
H19 H    -0.073725960     0.902950410     0.693311100 
H20 H    -0.131809380     0.498097680     1.161456090 
H21 H    -0.137050510     0.534613020     0.950913260 
H22 H    -0.151165690     1.028906480     1.044785070 
H23 H    -0.157142540     1.060765990     0.837377470 
H24 H    -0.214435320     0.664912440     1.308298060 
H25 H    -0.220072210     0.689717160     1.102188130 
H26 H    -0.234451110     1.198771200     1.182323030 
H27 H    -0.241064880     1.214835700     0.980598170 
H28 H    -0.297798990     0.831946300     1.453977100 
H29 H    -0.302835200     0.845773430     1.248894400 
H30 H    -0.333727000     1.287266080     1.382631580 
H31 H    -0.375200920     1.634450060     1.246967540 
H32 H    -0.421316610     2.024146500     1.166657350 
H33 H    -0.462296740     2.359508230     0.954709170 
H34 H    -0.410736370     1.904449050     0.602396990 
H35 H    -0.369040240     1.562891340     0.818298200 
H36 H    -0.501942840     2.668332790     0.550524500 
H37 H    -0.516327580     2.478146160     0.825859950 
H38 H    -0.468041880     2.714765250     0.640774570 

#END
data_-164.155_gel26b_9_17711 
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 62.7486
_cell_length_b 4.9182
_cell_length_c 58.5261
_cell_angle_alpha 90.0
_cell_angle_beta 7.124
_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     0.628903870     2.055044020     0.782760110 
C2 C     0.715609650     1.923930830     0.711226640 
C3 C     0.665352640     2.057697930     0.787343730 
C4 C     0.751670840     1.928502350     0.716340660 
C5 C     0.701196330     2.062082340     0.792678540 
C6 C     0.788470020     1.933952620     0.720637400 
C7 C     0.737602480     2.066811760     0.797406800 
C8 C     0.826329210     1.940437630     0.723786820 
C9 C     0.774586880     2.071883050     0.801509880 
C10 C     0.865221780     1.947899520     0.725815780 
C11 C     0.811751670     2.076794180     0.805407320 
C12 C     0.904611570     1.955747150     0.727296140 
C13 C     0.847454750     2.079851490     0.810823760 
C14 C     0.943079220     1.958231410     0.729538930 
C15 C     0.745650750     1.959603260     0.972361180 
C16 C     0.567342800     2.037332210     1.197253120 
C17 C     0.548048560     2.206099770     1.236777400 
C18 C     0.418357700     2.162489500     1.390752460 
C19 C     0.304711860     1.946028960     1.508760810 
C20 C     0.323634010     1.776820830     1.469617020 
C21 C     0.452573440     1.819816490     1.316521190 
C22 C     0.150412150     2.049593680     1.707017260 
N1 N     0.886923170     2.066687160     0.811181050 
N2 N     0.701996490     2.096079600     1.038672280 
O1 O     0.669234860     1.761229520     1.046312260 
O2 O     0.173027510     1.883591000     1.663407180 
H1 H     0.667068390     1.955841640     0.726231220 
H2 H     0.488857430     2.042161480     0.933063180 
H3 H     0.662787960     2.270397900     0.745355450 
H4 H     0.855562170     1.933655790     0.560324880 
H5 H     0.682826720     1.707250730     0.746759200 
H6 H     0.697873370     2.274695910     0.752094010 
H7 H     0.525301170     2.047723130     0.938382020 
H8 H     0.891689510     1.938861800     0.565331000 
H9 H     0.719325410     1.711468490     0.751380680 
H10 H     0.732855530     2.279359300     0.758334150 
H11 H     0.561263690     2.050665940     0.943649890 
H12 H     0.928398470     1.946155050     0.569687580 
H13 H     0.757281280     1.716503250     0.754451610 
H14 H     0.767681020     2.284644360     0.764718440 
H15 H     0.597817160     2.052886090     0.948284360 
H16 H     0.966102910     1.955799400     0.572963380 
H17 H     0.797095810     1.722313200     0.755515620 
H18 H     0.802243900     2.290518720     0.771388280 
H19 H     0.635044590     2.054066920     0.952193350 
H20 H     1.004739060     1.968108420     0.575245960 
H21 H     0.838939570     1.728840730     0.754366440 
H22 H     0.835927420     2.296470550     0.779031040 
H23 H     0.672653060     2.053208060     0.955676270 
H24 H     1.043716240     1.983136530     0.577186270 
H25 H     0.882545060     1.735538740     0.751233600 
H26 H     0.867134180     2.300671350     0.789597770 
H27 H     0.709818830     2.045394600     0.959748380 
H28 H     1.081353320     1.993980790     0.580893320 
H29 H     0.922753580     1.738723510     0.751607670 
H30 H     0.946588660     2.232014580     0.753992580 
H31 H     0.774511640     2.257607340     0.965899460 
H32 H     0.635588020     2.375515340     1.146124960 
H33 H     0.408157350     2.298241630     1.416069820 
H34 H     0.234512760     1.609443870     1.562385270 
H35 H     0.466148700     1.688023250     1.287468460 
H36 H     0.040860590     1.965473170     1.832724500 
H37 H     0.263766840     2.044824380     1.597542050 
H38 H     0.122615120     2.260849680     1.731882380 

#END
data_-163.875_gel26b_2_15594 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 7.0112
_cell_length_b 8.8036
_cell_length_c 23.8084
_cell_angle_alpha 57.3589
_cell_angle_beta 95.2149
_cell_angle_gamma 74.6531
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.068149810     0.277071090     0.694392260 
C2 C     0.275126090     0.297130170     0.684906270 
C3 C     0.254722030     0.475060120     0.613146620 
C4 C     0.460933880     0.496286850     0.603038860 
C5 C     0.440394550     0.674329880     0.531326930 
C6 C     0.646842730     0.694725270     0.521090590 
C7 C     0.626350640     0.873103960     0.449479000 
C8 C     0.833096390     0.892248430     0.439020760 
C9 C     0.812598240     1.071358500     0.367607630 
C10 C     1.019693410     1.088865350     0.356842560 
C11 C     0.999019270     1.269366300     0.285802020 
C12 C     1.206459550     1.284987140     0.274646890 
C13 C     1.184929410     1.468256600     0.204368540 
C14 C     1.394093750     1.480179600     0.193890150 
C15 C     1.347610500     1.825620190     0.122694230 
C16 C     1.291227330     2.175366840     0.032607140 
C17 C     1.267553060     2.310776370    -0.037802740 
C18 C     1.237110540     2.503636880    -0.065229250 
C19 C     1.229846160     2.564011340    -0.021769890 
C20 C     1.253353660     2.428797010     0.048740280 
C21 C     1.283737120     2.236946940     0.076104160 
C22 C     1.177825780     2.889845610    -0.113851870 
N1 N     1.377514340     1.656557030     0.128319740 
N2 N     1.321397190     1.983376560     0.055968120 
O1 O     1.347083290     1.831989040     0.172648730 
O2 O     1.201014210     2.748918310    -0.042795560 
H1 H     0.087187160     0.148946430     0.745995860 
H2 H    -0.038170650     0.404517510     0.688299930 
H3 H    -0.006106110     0.263496600     0.655718570 
H4 H     0.380264410     0.165730450     0.692947450 
H5 H     0.348360140     0.305896990     0.725221730 
H6 H     0.181139070     0.466576140     0.572749160 
H7 H     0.149727760     0.606684550     0.605091320 
H8 H     0.565703600     0.364699000     0.611028300 
H9 H     0.534595190     0.504491570     0.643495230 
H10 H     0.365925100     0.666566230     0.490857540 
H11 H     0.336368820     0.806011020     0.523450030 
H12 H     0.750570580     0.563222380     0.528778900 
H13 H     0.721675380     0.701903960     0.561671220 
H14 H     0.550216830     0.866640190     0.408878410 
H15 H     0.523813800     1.004720840     0.441987070 
H16 H     0.935124010     0.761016540     0.446147920 
H17 H     0.909848710     0.897625500     0.479831200 
H18 H     0.734044570     1.067038560     0.326759050 
H19 H     0.712261860     1.202687830     0.360776080 
H20 H     1.119240170     0.958275010     0.363032860 
H21 H     1.099193630     1.091370280     0.398041200 
H22 H     0.917238720     1.268408410     0.244514670 
H23 H     0.901877520     1.399994930     0.280025940 
H24 H     1.302482940     1.155636880     0.279354190 
H25 H     1.289535040     1.283021110     0.316502570 
H26 H     1.100207640     1.473275320     0.161960170 
H27 H     1.094705180     1.597567070     0.200412100 
H28 H     1.487741030     1.355520920     0.195799440 
H29 H     1.478244710     1.476685490     0.235714960 
H30 H     1.375199510     1.655626780     0.086194980 
H31 H     1.324587260     1.960728310     0.018796240 
H32 H     1.272831690     2.265867290    -0.072280250 
H33 H     1.219548540     2.603610910    -0.120082480 
H34 H     1.247401550     2.477592390     0.081921590 
H35 H     1.301796270     2.133693410     0.130595240 
H36 H     1.157731840     3.024630950    -0.119362860 
H37 H     1.314974320     2.849513040    -0.129031530 
H38 H     1.041771930     2.911784330    -0.148062760 

#END
data_-163.799_gel26b_9_7271 
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
_cell_length_a 77.2356
_cell_length_b 4.5864
_cell_length_c 9.7043
_cell_angle_alpha 90.0
_cell_angle_beta 138.4944
_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     0.960949480     1.221052260    -1.322267810 
C2 C     0.980313250     1.057639500    -1.114902470 
C3 C     1.002527310     1.251181190    -0.929718010 
C4 C     1.021981750     1.090044820    -0.721409860 
C5 C     1.044202650     1.283550350    -0.536389420 
C6 C     1.063551760     1.122723220    -0.327956850 
C7 C     1.085828040     1.315834880    -0.142951670 
C8 C     1.105013200     1.155607610     0.065670150 
C9 C     1.127400820     1.348018000     0.250583960 
C10 C     1.146367640     1.188659630     0.459448820 
C11 C     1.168953580     1.379899040     0.644053350 
C12 C     1.187663290     1.221699270     0.853216140 
C13 C     1.210603700     1.411005860     1.036722400 
C14 C     1.228934030     1.249963000     1.244699270 
C15 C     1.273403670     1.434992440     1.471044090 
C16 C     1.317173660     1.682805060     1.725623480 
C17 C     1.332981410     1.883136250     1.888883560 
C18 C     1.357789480     1.954877010     1.988307790 
C19 C     1.367187910     1.824827520     1.924284320 
C20 C     1.351397850     1.624321730     1.760766410 
C21 C     1.326730120     1.552631630     1.661799990 
C22 C     1.407779240     2.078810950     2.177123410 
N1 N     1.251403630     1.422435490     1.421088850 
N2 N     1.292356830     1.622905730     1.633885990 
O1 O     1.275677900     1.289895970     1.379820450 
O2 O     1.391148330     1.878054000     2.010084690 
H1 H     0.945302360     1.077957240    -1.451669220 
H2 H     0.970717650     1.311638960    -1.354765800 
H3 H     0.951903690     1.402480560    -1.320609390 
H4 H     0.969929350     0.963206960    -1.088617580 
H5 H     0.988623530     0.873263540    -1.122392210 
H6 H     0.994227700     1.436058260    -0.922271830 
H7 H     1.012955120     1.345483330    -0.955762620 
H8 H     1.011539290     0.996129500    -0.695425460 
H9 H     1.030248740     0.904977380    -0.729005790 
H10 H     1.035934130     1.469306090    -0.529307850 
H11 H     1.054721870     1.376450500    -0.561893910 
H12 H     1.053029140     1.030605250    -0.302292790 
H13 H     1.071767680     0.936423770    -0.335154380 
H14 H     1.077610410     1.503238720    -0.136582210 
H15 H     1.096468870     1.406287250    -0.167891430 
H16 H     1.094377050     1.066600260     0.090993010 
H17 H     1.113128680     0.967235400     0.059029980 
H18 H     1.119292470     1.537937320     0.256123560 
H19 H     1.138195930     1.434623530     0.226233350 
H20 H     1.135598320     1.104487650     0.484589830 
H21 H     1.154298380     0.997202400     0.453381890 
H22 H     1.161061070     1.573393660     0.648883660 
H23 H     1.179934190     1.460691530     0.620267280 
H24 H     1.176748400     1.144775450     0.878511370 
H25 H     1.195251220     1.025922330     0.847326080 
H26 H     1.203311120     1.609314180     1.043384350 
H27 H     1.222001980     1.480521460     1.015105720 
H28 H     1.218431230     1.182423660     1.274953050 
H29 H     1.236385850     1.053580630     1.239217660 
H30 H     1.249908400     1.546477840     1.497316130 
H31 H     1.288287580     1.731601360     1.697262210 
H32 H     1.325920490     1.986202740     1.940411090 
H33 H     1.369373870     2.111152460     2.114125880 
H34 H     1.358933120     1.524904630     1.712577320 
H35 H     1.314699150     1.397550000     1.535819580 
H36 H     1.425592700     2.088399620     2.222157420 
H37 H     1.412568900     2.005994320     2.310280840 
H38 H     1.399029190     2.296767700     2.129960390 

#END
data_-163.645_gel26b_14_11463 
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 7.3776
_cell_length_b 5.087
_cell_length_c 95.4785
_cell_angle_alpha 90.0
_cell_angle_beta 140.6008
_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     0.109333590    26.651800580     0.618748150 
C2 C     0.324324440    26.518955170     0.641354440 
C3 C     0.618878330    26.649351480     0.658698680 
C4 C     0.835819210    26.517639150     0.681364820 
C5 C     1.130117120    26.648304290     0.698703080 
C6 C     1.347490270    26.515384250     0.721326740 
C7 C     1.641557770    26.646489660     0.738693610 
C8 C     1.859635800    26.511762260     0.761249160 
C9 C     2.153182650    26.643881300     0.778668710 
C10 C     2.372209180    26.506798230     0.801132010 
C11 C     2.664644560    26.640954440     0.818635810 
C12 C     2.884848590    26.501158820     0.840989190 
C13 C     3.174569860    26.639745060     0.858609900 
C14 C     3.392716880    26.495454130     0.880774020 
C15 C     3.710669180    26.826841220     0.910144870 
C16 C     4.090287100    27.149455000     0.939923890 
C17 C     4.365113890    27.237343370     0.953163430 
C18 C     4.493956170    27.438775420     0.968463730 
C19 C     4.346647620    27.556357980     0.970705540 
C20 C     4.071370090    27.468906390     0.957461300 
C21 C     3.942992310    27.268547020     0.942246710 
C22 C     4.730438210    27.847769680     0.998932560 
N1 N     3.667518110    26.628165060     0.898029300 
N2 N     3.976268370    26.944776990     0.924889170 
O1 O     3.530088170    26.887987920     0.907989560 
O2 O     4.451283160    27.754916090     0.985129240 
H1 H    -0.098848970    26.554797450     0.606689710 
H2 H     0.077869960    26.858037530     0.619742660 
H3 H     0.183644490    26.647164390     0.612321120 
H4 H     0.346571650    26.311344480     0.639794900 
H5 H     0.241808680    26.520845520     0.647173970 
H6 H     0.701478260    26.647923820     0.652873890 
H7 H     0.596867830    26.857090810     0.660292740 
H8 H     0.857890330    26.310025300     0.679755370 
H9 H     0.752991760    26.518771900     0.687169800 
H10 H     1.212434700    26.648201140     0.692857840 
H11 H     1.108290710    26.855621740     0.700387830 
H12 H     1.369802530    26.308265230     0.719638300 
H13 H     1.264908440    26.514717660     0.727150730 
H14 H     1.723316270    26.648820280     0.732805160 
H15 H     1.619568180    26.853113230     0.740498660 
H16 H     1.882633150    26.305519540     0.759447080 
H17 H     1.777327280    26.508044370     0.767092400 
H18 H     2.234408710    26.649964860     0.772742640 
H19 H     2.130564320    26.849368460     0.780629850 
H20 H     2.396705780    26.301974510     0.799191870 
H21 H     2.289993000    26.498457490     0.806974090 
H22 H     2.745696880    26.652473380     0.812709280 
H23 H     2.640680810    26.844588010     0.820793710 
H24 H     2.912123020    26.298543850     0.838889820 
H25 H     2.801991120    26.486168840     0.846757590 
H26 H     3.258915430    26.658608170     0.852975520 
H27 H     3.149445880    26.839079340     0.861236030 
H28 H     3.429505310    26.296583530     0.878999460 
H29 H     3.310446790    26.478018420     0.886516410 
H30 H     3.818723820    26.583357290     0.899963060 
H31 H     4.107928290    26.877846570     0.925204890 
H32 H     4.482415500    27.147649280     0.951598090 
H33 H     4.707242330    27.500629300     0.978383170 
H34 H     3.959322050    27.561899880     0.959368630 
H35 H     3.730515550    27.202389010     0.932109200 
H36 H     4.771741060    28.002443120     1.009014720 
H37 H     4.890093740    27.691832890     1.009705150 
H38 H     4.746381100    27.929693370     0.989291500 

#END
data_-163.467_gel26b_61_28508 
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 9.2065
_cell_length_b 57.3073
_cell_length_c 9.2431
_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    -0.260800630     0.839192660    -1.770716240 
C2 C    -0.204953030     0.859262360    -1.676830330 
C3 C    -0.150649350     0.880078020    -1.765395010 
C4 C    -0.094221630     0.900236030    -1.672544850 
C5 C    -0.040135380     0.921051520    -1.761142040 
C6 C     0.017187480     0.941139460    -1.668230910 
C7 C     0.070827250     0.961993700    -1.756736810 
C8 C     0.129552570     0.981972230    -1.663789010 
C9 C     0.182243970     1.002902350    -1.752169220 
C10 C     0.242835840     1.022734820    -1.659208530 
C11 C     0.293698880     1.043795520    -1.747436710 
C12 C     0.356516060     1.063456110    -1.654523470 
C13 C     0.403578280     1.084733340    -1.742684390 
C14 C     0.467517530     1.104097970    -1.648021380 
C15 C     0.407296980     1.141686770    -1.761200380 
C16 C     0.387637630     1.179549740    -1.896915970 
C17 C     0.465224030     1.195223200    -1.982838190 
C18 C     0.400919250     1.215424030    -2.037028480 
C19 C     0.255897160     1.220225320    -2.005320990 
C20 C     0.177907060     1.204556600    -1.919404980 
C21 C     0.241701850     1.184467420    -1.865374110 
C22 C     0.257340520     1.255810990    -2.138949780 
N1 N     0.508751940     1.124856830    -1.728900320 
N2 N     0.461119270     1.159558440    -1.846638230 
O1 O     0.282740710     1.140719380    -1.716298600 
O2 O     0.181626400     1.239449520    -2.052285130 
H1 H    -0.298774110     0.824572880    -1.704822700 
H2 H    -0.351379900     0.844864210    -1.838848290 
H3 H    -0.175371100     0.832654760    -1.842370620 
H4 H    -0.116796670     0.852978500    -1.607228490 
H5 H    -0.291482400     0.865114720    -1.603844750 
H6 H    -0.064181060     0.874230960    -1.838651080 
H7 H    -0.238883860     0.886399990    -1.834953500 
H8 H    -0.005901640     0.893901410    -1.603161960 
H9 H    -0.180635460     0.906056110    -1.599175570 
H10 H     0.045848040     0.915213630    -1.834960910 
H11 H    -0.128621500     0.927455860    -1.830055050 
H12 H     0.105947700     0.934736390    -1.599652590 
H13 H    -0.068608500     0.946938040    -1.594085950 
H14 H     0.155924720     0.956166940    -1.831605050 
H15 H    -0.018215350     0.968503830    -1.824545560 
H16 H     0.219114400     0.975474750    -1.596596900 
H17 H     0.044783190     0.987721100    -1.588340340 
H18 H     0.266028480     0.997122460    -1.828633650 
H19 H     0.092282150     1.009544000    -1.818248630 
H20 H     0.333693960     1.016131380    -1.594164550 
H21 H     0.159581180     1.028377330    -1.581818490 
H22 H     0.375670300     1.038138740    -1.826164530 
H23 H     0.202351010     1.050592800    -1.810896790 
H24 H     0.449371670     1.056744520    -1.592693190 
H25 H     0.275336710     1.068872010    -1.574416070 
H26 H     0.483767490     1.079542750    -1.824342870 
H27 H     0.310223810     1.091905530    -1.800912400 
H28 H     0.563580350     1.097809810    -1.590277190 
H29 H     0.387630440     1.109432450    -1.567292120 
H30 H     0.610327630     1.125943030    -1.768469510 
H31 H     0.565904480     1.158483850    -1.877358870 
H32 H     0.578251400     1.191712080    -2.008450480 
H33 H     0.465095910     1.227083350    -2.103127620 
H34 H     0.065361980     1.208494200    -1.895593910 
H35 H     0.180610310     1.172490150    -1.799120480 
H36 H     0.179757900     1.269578910    -2.163755570 
H37 H     0.350152950     1.263322020    -2.081011220 
H38 H     0.295560380     1.247933170    -2.240126620 

#END
data_-163.076_gel26b_14_11138 
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 5.7144
_cell_length_b 6.7533
_cell_length_c 60.9499
_cell_angle_alpha 90.0
_cell_angle_beta 76.7818
_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     0.886632440     0.853093220     0.874113880 
C2 C     0.978722980     0.783228470     0.849792540 
C3 C     0.823793460     0.855374880     0.833960330 
C4 C     0.913998860     0.785955070     0.809594490 
C5 C     0.759228030     0.858350130     0.793770450 
C6 C     0.848623790     0.787753950     0.769438030 
C7 C     0.694425970     0.860654700     0.753587840 
C8 C     0.782473160     0.788261150     0.729310370 
C9 C     0.629394220     0.862268910     0.713413810 
C10 C     0.715597200     0.787509050     0.689211690 
C11 C     0.564539470     0.863673250     0.673244300 
C12 C     0.648459830     0.786146550     0.649133100 
C13 C     0.501220100     0.866820740     0.633080130 
C14 C     0.586242640     0.785940480     0.609113800 
C15 C     0.518220440     1.044260450     0.582847570 
C16 C     0.381745560     1.278572030     0.556267410 
C17 C     0.204532440     1.309571680     0.544226980 
C18 C     0.206884390     1.476356720     0.530719830 
C19 C     0.389562280     1.616198320     0.529100940 
C20 C     0.567148020     1.585634210     0.541149310 
C21 C     0.565144780     1.419824490     0.554579360 
C22 C     0.234384130     1.820448630     0.503836650 
N1 N     0.453973730     0.865593880     0.593333280 
N2 N     0.365644270     1.105889590     0.569512080 
O1 O     0.695148390     1.136030370     0.585137900 
O2 O     0.410308220     1.784932590     0.516401550 
H1 H     1.000328870     0.799453660     0.885044330 
H2 H     0.882836960     1.014906850     0.875099050 
H3 H     0.703723250     0.799956910     0.881038280 
H4 H     0.986297450     0.621005300     0.849354100 
H5 H     1.163926590     0.834478860     0.843448480 
H6 H     0.638281940     0.804408050     0.840314950 
H7 H     0.816381830     1.017757820     0.834364740 
H8 H     0.921080730     0.623579730     0.809207660 
H9 H     1.099592340     0.836700630     0.803256800 
H10 H     0.573408760     0.808337330     0.800159230 
H11 H     0.752998870     1.020745770     0.794076210 
H12 H     0.854140900     0.625332520     0.769139790 
H13 H     1.034681430     0.837210670     0.763062680 
H14 H     0.508011160     0.812384540     0.760045130 
H15 H     0.690309290     1.023099120     0.753760000 
H16 H     0.785272960     0.625784860     0.729142390 
H17 H     0.969311100     0.835524030     0.722884260 
H18 H     0.442065200     0.816701550     0.719947450 
H19 H     0.628603010     1.024738650     0.713408770 
H20 H     0.714167960     0.625010380     0.689207800 
H21 H     0.903584190     0.831424540     0.682739360 
H22 H     0.375914130     0.822054550     0.679833990 
H23 H     0.568744320     1.026046960     0.673009740 
H24 H     0.640689870     0.623702190     0.649327870 
H25 H     0.838034670     0.825194690     0.642667090 
H26 H     0.310634290     0.830631840     0.639450800 
H27 H     0.514743750     1.028403790     0.632307290 
H28 H     0.570237470     0.624523170     0.609038730 
H29 H     0.775393210     0.822943900     0.602651680 
H30 H     0.305898300     0.793864770     0.591346480 
H31 H     0.224912520     1.017796810     0.568925620 
H32 H     0.061113650     1.201941880     0.545326700 
H33 H     0.066039690     1.494398290     0.521681940 
H34 H     0.707999820     1.695382990     0.539743100 
H35 H     0.703061600     1.397546170     0.563803720 
H36 H     0.284090430     1.959792520     0.495018560 
H37 H     0.232767290     1.702764090     0.491479190 
H38 H     0.054219620     1.834497160     0.514825930 

#END
data_-163.076_gel26b_14_9986 
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 5.7144
_cell_length_b 6.7533
_cell_length_c 60.9499
_cell_angle_alpha 90.0
_cell_angle_beta 76.7818
_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    -0.113367540     1.146906950     0.374113860 
C2 C    -0.021277040     1.216771700     0.349792520 
C3 C    -0.176206530     1.144625290     0.333960310 
C4 C    -0.086001160     1.214045090     0.309594470 
C5 C    -0.240771950     1.141650030     0.293770440 
C6 C    -0.151376240     1.212246210     0.269438020 
C7 C    -0.305574010     1.139345450     0.253587840 
C8 C    -0.217526860     1.211739000     0.229310370 
C9 C    -0.370605760     1.137731240     0.213413800 
C10 C    -0.284402820     1.212491100     0.189211680 
C11 C    -0.435460510     1.136326890     0.173244300 
C12 C    -0.351540180     1.213853590     0.149133100 
C13 C    -0.498779880     1.133179400     0.133080140 
C14 C    -0.413757380     1.214059650     0.109113810 
C15 C    -0.481779570     0.955739670     0.082847570 
C16 C    -0.618254440     0.721428080     0.056267410 
C17 C    -0.795467510     0.690428420     0.044227000 
C18 C    -0.793115570     0.523643380     0.030719840 
C19 C    -0.610437750     0.383801780     0.029100950 
C20 C    -0.432852060     0.414365890     0.041149300 
C21 C    -0.434855280     0.580175620     0.054579360 
C22 C    -0.765615870     0.179551450     0.003836650 
N1 N    -0.546026260     1.134406250     0.093333300 
N2 N    -0.634355710     0.894110530     0.069512100 
O1 O    -0.304851680     0.863969760     0.085137900 
O2 O    -0.589691820     0.215067500     0.016401550 
H1 H     0.000328860     1.200546510     0.385044310 
H2 H    -0.117163030     0.985093310     0.375099020 
H3 H    -0.296276670     1.200043260     0.381038270 
H4 H    -0.013702560     1.378994870     0.349354080 
H5 H     0.163926510     1.165521310     0.343448450 
H6 H    -0.361717980     1.195592110     0.340314940 
H7 H    -0.183618150     0.982242340     0.334364720 
H8 H    -0.078919290     1.376420440     0.309207650 
H9 H     0.099592260     1.163299530     0.303256770 
H10 H    -0.426591160     1.191662820     0.300159230 
H11 H    -0.247001120     0.979254380     0.294076200 
H12 H    -0.145859120     1.374667650     0.269139780 
H13 H     0.034681350     1.162789490     0.263062660 
H14 H    -0.491988760     1.187615610     0.260045130 
H15 H    -0.309690690     0.976901030     0.253759990 
H16 H    -0.214727060     1.374215290     0.229142390 
H17 H    -0.030688990     1.164476130     0.222884240 
H18 H    -0.557934720     1.183298590     0.219947460 
H19 H    -0.371396970     0.975261480     0.213408760 
H20 H    -0.285832050     1.374989770     0.189207800 
H21 H    -0.096415890     1.168575610     0.182739350 
H22 H    -0.624085790     1.177945590     0.179834000 
H23 H    -0.431255670     0.973953170     0.173009740 
H24 H    -0.359310140     1.376297960     0.149327880 
H25 H    -0.161965410     1.174805460     0.142667090 
H26 H    -0.689365630     1.169368290     0.139450820 
H27 H    -0.485256240     0.971596340     0.132307290 
H28 H    -0.429762540     1.375476970     0.109038750 
H29 H    -0.224606870     1.177056240     0.102651680 
H30 H    -0.694101640     1.206135360     0.091346500 
H31 H    -0.775087410     0.982203310     0.068925640 
H32 H    -0.938886250     0.798058230     0.045326730 
H33 H    -0.933960240     0.505601800     0.021681960 
H34 H    -0.292000300     0.304617120     0.039743080 
H35 H    -0.296938500     0.602453940     0.063803710 
H36 H    -0.715909590     0.040207560    -0.004981430 
H37 H    -0.767232710     0.297235990    -0.008520800 
H38 H    -0.945780310     0.165502920     0.014825940 

#END
data_-162.977_gel26b_14_18200 
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 39.2951
_cell_length_b 4.4682
_cell_length_c 15.4815
_cell_angle_alpha 90.0
_cell_angle_beta 53.3318
_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     0.772186930     0.264090990     0.370431100 
C2 C     0.811838350     0.076675630     0.328262880 
C3 C     0.851360340     0.266807200     0.285397290 
C4 C     0.891235460     0.081553130     0.242781550 
C5 C     0.930720010     0.271757960     0.200076820 
C6 C     0.970644310     0.086323770     0.156804100 
C7 C     1.010110590     0.276368400     0.114427920 
C8 C     1.050112200     0.090773860     0.070125250 
C9 C     1.089529810     0.280616600     0.028446840 
C10 C     1.129633420     0.094882690    -0.017226890 
C11 C     1.168933520     0.284516400    -0.057559620 
C12 C     1.209161780     0.098747160    -0.104868770 
C13 C     1.248135120     0.288438020    -0.142401870 
C14 C     1.288126470     0.098897910    -0.190500730 
C15 C     1.332800980     0.350046210    -0.150132150 
C16 C     1.384665050     0.646755910    -0.140070520 
C17 C     1.420568180     0.828652480    -0.199734830 
C18 C     1.439175240     0.950809030    -0.154300380 
C19 C     1.421750760     0.891320500    -0.046904290 
C20 C     1.385785900     0.709450120     0.013058780 
C21 C     1.367256100     0.587683440    -0.032008600 
C22 C     1.473853950     1.182184190    -0.052272080 
N1 N     1.325380740     0.273485070    -0.223599610 
N2 N     1.367908790     0.532515670    -0.192362670 
O1 O     1.310408720     0.260329550    -0.057291250 
O2 O     1.437257150     0.998416870     0.006069630 
H1 H     0.744476790     0.122918460     0.400450150 
H2 H     0.764785090     0.409833160     0.436427210 
H3 H     0.776690370     0.407130510     0.306961940 
H4 H     0.817931080    -0.072288850     0.264128510 
H5 H     0.806142100    -0.069367080     0.392617920 
H6 H     0.857052600     0.413413010     0.221084430 
H7 H     0.845310840     0.415699910     0.349586800 
H8 H     0.897279890    -0.066984180     0.178528040 
H9 H     0.885513210    -0.065299380     0.307057420 
H10 H     0.936340290     0.419544740     0.136117090 
H11 H     0.924752780     0.419357200     0.264452180 
H12 H     0.976658290    -0.060590730     0.092222190 
H13 H     0.964999600    -0.062158630     0.220631380 
H14 H     1.015590940     0.426354190     0.051113690 
H15 H     1.004210780     0.421743920     0.179217610 
H16 H     1.056115810    -0.053336260     0.004943620 
H17 H     1.044575710    -0.060453200     0.133208510 
H18 H     1.094847420     0.433958640    -0.033913710 
H19 H     1.083676990     0.422496920     0.093923670 
H20 H     1.135689770    -0.044866520    -0.083381370 
H21 H     1.124207970    -0.060444380     0.044761520 
H22 H     1.174112360     0.442639480    -0.118608740 
H23 H     1.163088560     0.421084650     0.008956990 
H24 H     1.215381310    -0.034458900    -0.172526020 
H25 H     1.203769250    -0.062349510    -0.044373000 
H26 H     1.253683690     0.452861960    -0.202197820 
H27 H     1.242530200     0.414400360    -0.074378500 
H28 H     1.295495710    -0.025776790    -0.260610670 
H29 H     1.282836940    -0.063554290    -0.130949890 
H30 H     1.344065120     0.352873800    -0.299365200 
H31 H     1.383994550     0.592631490    -0.270239040 
H32 H     1.434484780     0.876972520    -0.283465440 
H33 H     1.466971360     1.090449950    -0.203494200 
H34 H     1.372571820     0.665015770     0.096378470 
H35 H     1.339516270     0.447505380     0.014926780 
H36 H     1.480854260     1.241318980     0.003831890 
H37 H     1.501055010     1.062876880    -0.121132300 
H38 H     1.468185450     1.387037530    -0.080924290 

#END
data_-162.959_gel26b_2_2132 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 12.6358
_cell_length_b 20.6021
_cell_length_c 7.0154
_cell_angle_alpha 109.3345
_cell_angle_beta 42.1724
_cell_angle_gamma 110.1567
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.833820250     0.805374740     0.097815330 
C2 C     0.833128750     0.814889290    -0.108453810 
C3 C     0.798511480     0.886642550    -0.053416990 
C4 C     0.797892950     0.896778800    -0.258994480 
C5 C     0.763066960     0.968484280    -0.203613750 
C6 C     0.763537330     0.978749390    -0.410516130 
C7 C     0.728175230     1.050354420    -0.354646700 
C8 C     0.730340700     1.060841810    -0.563541220 
C9 C     0.693850530     1.132248150    -0.506538020 
C10 C     0.698267710     1.143042900    -0.718032960 
C11 C     0.659641580     1.214076160    -0.658718510 
C12 C     0.666725170     1.225261590    -0.873224130 
C13 C     0.623805390     1.295531630    -0.808761450 
C14 C     0.633238720     1.306041000    -1.027340390 
C15 C     0.429902660     1.377192270    -0.777550730 
C16 C     0.259986800     1.467241160    -0.551266620 
C17 C     0.265193790     1.537652330    -0.532774280 
C18 C     0.127039930     1.565047620    -0.364205450 
C19 C    -0.020196990     1.521554880    -0.209757960 
C20 C    -0.025799930     1.451043320    -0.227687730 
C21 C     0.111468320     1.423710460    -0.395312080 
C22 C    -0.162201470     1.613605090    -0.015739860 
N1 N     0.587815080     1.371603020    -0.965326610 
N2 N     0.405393150     1.443913030    -0.726811970 
O1 O     0.323716240     1.327213430    -0.670882260 
O2 O    -0.163182340     1.542548270    -0.037971650 
H1 H     0.858895100     0.753776360     0.053692300 
H2 H     0.718310690     0.811429120     0.319611450 
H3 H     0.924522460     0.844058830     0.081401710 
H4 H     0.948695850     0.806885800    -0.329126080 
H5 H     0.743952510     0.774563510    -0.092544540 
H6 H     0.887567960     0.927050250    -0.068857610 
H7 H     0.682748120     0.894660130     0.167307450 
H8 H     0.913750870     0.888827080    -0.479588900 
H9 H     0.708998230     0.856312240    -0.243793950 
H10 H     0.851544930     1.008963680    -0.217589560 
H11 H     0.646892360     0.976323500     0.016553280 
H12 H     0.879909870     0.971098770    -0.630583120 
H13 H     0.675422870     0.938158860    -0.397266980 
H14 H     0.815611890     1.090964590    -0.365917150 
H15 H     0.611298690     1.057808710    -0.135266850 
H16 H     0.847560020     1.053752320    -0.782754450 
H17 H     0.643572860     1.020022010    -0.553557970 
H18 H     0.779633630     1.173105640    -0.513735540 
H19 H     0.575946510     1.139042120    -0.288331520 
H20 H     0.816712320     1.136890220    -0.935990120 
H21 H     0.613602370     1.101835690    -0.712899550 
H22 H     0.742932270     1.255371490    -0.660197400 
H23 H     0.540335840     1.219814750    -0.442305460 
H24 H     0.786885620     1.220591850    -1.089372980 
H25 H     0.585225930     1.183398440    -0.874831280 
H26 H     0.703352430     1.337946860    -0.803556210 
H27 H     0.502196090     1.299450950    -0.596963190 
H28 H     0.754292750     1.304169260    -1.242005650 
H29 H     0.553331680     1.264209200    -1.031614740 
H30 H     0.672911420     1.413747020    -1.048071340 
H31 H     0.502325880     1.481107090    -0.826896390 
H32 H     0.379011740     1.572155630    -0.651828980 
H33 H     0.136616760     1.619903110    -0.356199300 
H34 H    -0.140916260     1.417835910    -0.106661070 
H35 H     0.105896200     1.369218030    -0.407818910 
H36 H    -0.286039140     1.619088160     0.128160670 
H37 H    -0.091254760     1.628818780    -0.223803220 
H38 H    -0.116060370     1.647808580     0.074188800 

#END
data_-162.787_gel26b_14_28240 
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 4.818
_cell_length_b 53.0967
_cell_length_c 10.8916
_cell_angle_alpha 90.0
_cell_angle_beta 125.3986
_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     0.561611630     0.548804330     0.609997630 
C2 C     0.854174780     0.530895970     0.716222390 
C3 C     0.732406460     0.505354870     0.733186720 
C4 C     1.023052920     0.487311510     0.839484390 
C5 C     0.901144420     0.461770520     0.856233950 
C6 C     1.191984600     0.443798530     0.963346250 
C7 C     1.070268710     0.418222510     0.979750170 
C8 C     1.361279300     0.400359710     1.088110510 
C9 C     1.239797270     0.374713510     1.103744160 
C10 C     1.530951310     0.356995180     1.213747950 
C11 C     1.409665940     0.331226820     1.227845310 
C12 C     1.700854740     0.313675960     1.339779180 
C13 C     1.579242220     0.287702170     1.350536000 
C14 C     1.873851870     0.270522870     1.464199120 
C15 C     1.712912120     0.226995160     1.372596100 
C16 C     1.513629460     0.182117230     1.307346740 
C17 C     1.389122020     0.161968700     1.344401270 
C18 C     1.308138900     0.138994510     1.269150980 
C19 C     1.351504870     0.135895990     1.154102130 
C20 C     1.475891060     0.156041430     1.116677480 
C21 C     1.556699560     0.178894710     1.191438140 
C22 C     1.156350900     0.093383550     1.108068260 
N1 N     1.765502410     0.245399550     1.472892380 
N2 N     1.589096080     0.204675140     1.389204500 
O1 O     1.774835620     0.230360480     1.279857560 
O2 O     1.281004440     0.114274770     1.072752440 
H1 H     0.655603090     0.566880770     0.600019410 
H2 H     0.396324160     0.540749720     0.496920530 
H3 H     0.403846990     0.552546600     0.650359940 
H4 H     1.020205700     0.539663600     0.827496130 
H5 H     1.012540610     0.527931650     0.675164920 
H6 H     0.573421520     0.508303770     0.774060090 
H7 H     0.566567860     0.496549140     0.621880910 
H8 H     1.188477930     0.496123520     0.950777390 
H9 H     1.182229680     0.484395000     0.798702500 
H10 H     0.740757840     0.464691190     0.896395980 
H11 H     0.736955070     0.452903620     0.745049890 
H12 H     1.355496990     0.452650080     1.074619920 
H13 H     1.353050780     0.440930540     0.923494330 
H14 H     0.907255870     0.421096710     1.018599550 
H15 H     0.908755120     0.409288600     0.868642060 
H16 H     1.521581650     0.409254380     1.199401770 
H17 H     1.525475860     0.397587630     1.049804220 
H18 H     1.072891880     0.377485320     1.140643090 
H19 H     1.082354840     0.365710900     0.992694730 
H20 H     1.686419310     0.365913880     1.325135490 
H21 H     1.699705940     0.354400060     1.177714780 
H22 H     1.237429560     0.333793500     1.262050540 
H23 H     1.258258040     0.322166040     1.116869350 
H24 H     1.849262410     0.322577270     1.451388410 
H25 H     1.875737230     0.311410660     1.306848970 
H26 H     1.401214970     0.289677120     1.381919470 
H27 H     1.440314270     0.278453680     1.240435130 
H28 H     2.015205180     0.278807660     1.576972960 
H29 H     2.050292220     0.268359860     1.432712610 
H30 H     1.709183370     0.242231090     1.547237720 
H31 H     1.547295620     0.204098210     1.469717310 
H32 H     1.353978990     0.164106600     1.433744840 
H33 H     1.212487470     0.123890040     1.301572530 
H34 H     1.508379760     0.153384070     1.027111150 
H35 H     1.652657040     0.194323580     1.161760260 
H36 H     1.118649540     0.078359760     1.031755820 
H37 H     1.339516350     0.087157530     1.224651110 
H38 H     0.912912880     0.097677840     1.090307470 

#END
data_-162.787_gel26b_14_28666 
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 9.0025
_cell_length_b 53.0967
_cell_length_c 10.8916
_cell_angle_alpha 90.0
_cell_angle_beta 154.1354
_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     0.061612040     0.951195670     0.451614350 
C2 C     0.354175130     0.969104030     0.637952610 
C3 C     0.232406800     0.994645130     0.499220020 
C4 C     0.523053210     1.012688490     0.683568690 
C5 C     0.401144690     1.038229480     0.544910680 
C6 C     0.691984820     1.056201480     0.728638440 
C7 C     0.570268920     1.081777490     0.590518680 
C8 C     0.861279450     1.099640290     0.773168800 
C9 C     0.739797410     1.125286500     0.636053180 
C10 C     1.030951390     1.143004830     0.817203310 
C11 C     0.909666020     1.168773190     0.681820630 
C12 C     1.200854750     1.186324040     0.861075440 
C13 C     1.079242220     1.212297840     0.728706150 
C14 C     1.373851810     1.229477140     0.909652550 
C15 C     1.212912120     1.273004850     0.840315890 
C16 C     1.013629500     1.317882780     0.706282660 
C17 C     0.889122030     1.338031320     0.544720750 
C18 C     0.808138970     1.361005500     0.538987950 
C19 C     0.851505010     1.364104030     0.697402740 
C20 C     0.975891230     1.343958590     0.859213530 
C21 C     1.056699680     1.321105300     0.865261340 
C22 C     0.656351070     1.406616470     0.548282730 
N1 N     1.265502350     1.254600460     0.792609880 
N2 N     1.089096070     1.295324880     0.699891500 
O1 O     1.274835690     1.269639530     0.994977890 
O2 O     0.781004640     1.385725250     0.708252040 
H1 H     0.155603520     0.933119230     0.555584000 
H2 H    -0.103675360     0.959250280     0.399404050 
H3 H    -0.096152640     0.947453400     0.253487470 
H4 H     0.520205990     0.960336400     0.692709740 
H5 H     0.512541010     0.972068350     0.837375850 
H6 H     0.073421830     0.991696230     0.299361780 
H7 H     0.066568270     1.003450860     0.444687290 
H8 H     0.688478160     1.003876480     0.737700640 
H9 H     0.682230010     1.015605000     0.883527270 
H10 H     0.240758080     1.035308820     0.344362140 
H11 H     0.236955410     1.047096390     0.491905450 
H12 H     0.855497140     1.047349930     0.780877090 
H13 H     0.853051040     1.059069470     0.929556470 
H14 H     0.407256030     1.078903290     0.388656520 
H15 H     0.408755400     1.090711410     0.540113270 
H16 H     1.021581740     1.090745620     0.822179840 
H17 H     1.025476060     1.102412370     0.975671600 
H18 H     0.572891980     1.122514690     0.432248930 
H19 H     0.582355050     1.134289100     0.589660240 
H20 H     1.186419330     1.134086130     0.861283710 
H21 H     1.199706060     1.145599950     1.021991030 
H22 H     0.737429590     1.166206510     0.475379090 
H23 H     0.758258170     1.177833970     0.641388740 
H24 H     1.349262350     1.177422740     0.897873820 
H25 H     1.375737280     1.188589350     1.068888070 
H26 H     0.901214930     1.210322890     0.519295500 
H27 H     0.940314340     1.221546330     0.699879120 
H28 H     1.515205050     1.221192350     0.938231970 
H29 H     1.550292200     1.231640150     1.117579340 
H30 H     1.209183250     1.257768920     0.661945520 
H31 H     1.047295550     1.295901800     0.577578240 
H32 H     0.853978940     1.335893420     0.420234160 
H33 H     0.712487500     1.376109970     0.410915010 
H34 H     1.008380000     1.346615950     0.981268550 
H35 H     1.152657200     1.305676440     0.990896670 
H36 H     0.618649770     1.421640260     0.586893820 
H37 H     0.839516450     1.412842490     0.614865250 
H38 H     0.412913040     1.402322180     0.322605600 

#END
data_-162.656_gel26b_61_14054 
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 8.5043
_cell_length_b 8.4033
_cell_length_c 65.3455
_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     0.856171390     1.143271260     0.367452420 
C2 C     0.886152230     1.239890760     0.347998460 
C3 C     0.858444310     1.144436310     0.328376150 
C4 C     0.888445690     1.239854190     0.308820920 
C5 C     0.860520560     1.144426480     0.289210810 
C6 C     0.891575690     1.239611200     0.269662630 
C7 C     0.863151480     1.144430980     0.250045710 
C8 C     0.895839080     1.239188390     0.230508390 
C9 C     0.866350880     1.144457550     0.210882290 
C10 C     0.901201640     1.238607960     0.191359880 
C11 C     0.869675540     1.144637740     0.171728960 
C12 C     0.907080730     1.237999520     0.152222600 
C13 C     0.871384780     1.145311670     0.132626450 
C14 C     0.911141730     1.240016010     0.113293680 
C15 C     0.723622820     1.161678960     0.086499910 
C16 C     0.567491770     1.048256620     0.057290970 
C17 C     0.576005190     0.945698760     0.040528910 
C18 C     0.446651740     0.919613100     0.027878420 
C19 C     0.305081570     0.997119260     0.031941690 
C20 C     0.296168010     1.099787340     0.048722200 
C21 C     0.424700360     1.125920560     0.061311030 
C22 C     0.175586750     0.878480990     0.003402530 
N1 N     0.873365820     1.156335620     0.094423310 
N2 N     0.703922080     1.067755000     0.069273750 
O1 O     0.620323990     1.243629690     0.094064130 
O2 O     0.170846530     0.980849860     0.020615080 
H1 H     0.876889520     1.214170180     0.381217810 
H2 H     0.734733460     1.100399590     0.368001570 
H3 H     0.933297290     1.039166650     0.368153320 
H4 H     1.007277650     1.284601820     0.348074210 
H5 H     0.810125590     1.345267920     0.347908840 
H6 H     0.934318450     1.038793680     0.328465380 
H7 H     0.737159470     1.099817890     0.328273870 
H8 H     1.009792420     1.284254560     0.308929030 
H9 H     0.812726420     1.345583700     0.308750250 
H10 H     0.935739950     1.038331060     0.289320450 
H11 H     0.738976300     1.100615220     0.289054710 
H12 H     1.013279290     1.282992040     0.269803230 
H13 H     0.816733310     1.345973220     0.269573750 
H14 H     0.937182620     1.037482330     0.250197220 
H15 H     0.741132740     1.102013260     0.249832820 
H16 H     1.018138540     1.280815810     0.230683610 
H17 H     0.822493930     1.346608010     0.230400520 
H18 H     0.938531090     1.036220710     0.211071460 
H19 H     0.743630890     1.104213450     0.210610680 
H20 H     1.024372950     1.277529170     0.191553210 
H21 H     0.830155440     1.347585390     0.191250590 
H22 H     0.939132690     1.034597400     0.171923100 
H23 H     0.746010930     1.107655840     0.171403200 
H24 H     1.031483060     1.272888440     0.152399170 
H25 H     0.839408500     1.349119570     0.152176520 
H26 H     0.937071480     1.032976170     0.132548300 
H27 H     0.746398210     1.114672910     0.132098840 
H28 H     1.036311630     1.269954460     0.112959500 
H29 H     0.845099090     1.351376970     0.113240840 
H30 H     0.955966450     1.086575580     0.088020440 
H31 H     0.797758120     1.005047020     0.064420550 
H32 H     0.685483180     0.884489880     0.037177480 
H33 H     0.458515210     0.839192940     0.015057140 
H34 H     0.185523410     1.159232140     0.051706340 
H35 H     0.416647820     1.205428590     0.074218430 
H36 H     0.058747580     0.883038430    -0.003380960 
H37 H     0.262377750     0.918505410    -0.007887590 
H38 H     0.202199750     0.755574640     0.007844670 

#END
data_-162.633_gel26b_61_14697 
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 9.1415
_cell_length_b 9.2239
_cell_length_c 58.265
_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     0.866864660    -0.799471500     0.095375670 
C2 C     0.765170210    -0.867886680     0.113193640 
C3 C     0.847570580    -0.942909280     0.132738140 
C4 C     0.746879450    -1.012015350     0.150634880 
C5 C     0.829320580    -1.086824350     0.170184140 
C6 C     0.728552430    -1.156752420     0.187992730 
C7 C     0.810908170    -1.231149660     0.207589010 
C8 C     0.710078720    -1.302368360     0.225260190 
C9 C     0.792323500    -1.375888300     0.244950450 
C10 C     0.691448810    -1.448825780     0.262438480 
C11 C     0.773574690    -1.520644670     0.282295090 
C12 C     0.672708960    -1.595635830     0.299567340 
C13 C     0.754852170    -1.663881980     0.319717610 
C14 C     0.652250860    -1.739657390     0.336667890 
C15 C     0.759584460    -1.716857590     0.375179460 
C16 C     0.888135830    -1.735284710     0.413189160 
C17 C     0.968272400    -1.828815230     0.427203820 
C18 C     1.020415160    -1.784737350     0.448564840 
C19 C     0.992493040    -1.644270650     0.456246550 
C20 C     0.912376230    -1.550345640     0.442245380 
C21 C     0.860385820    -1.594021440     0.421005070 
C22 C     1.118725120    -1.681516810     0.491566120 
N1 N     0.727378660    -1.801405670     0.356402550 
N2 N     0.839559930    -1.788767020     0.391851910 
O1 O     0.718998620    -1.591148680     0.376727220 
O2 O     1.037938070    -1.589218880     0.476836750 
H1 H     0.805258750    -0.746792530     0.081625490 
H2 H     0.937564850    -0.717628670     0.103241350 
H3 H     0.937703590    -0.881232650     0.087519840 
H4 H     0.693222490    -0.946753840     0.104777130 
H5 H     0.693193490    -0.784400110     0.120399120 
H6 H     0.919821340    -1.026351150     0.125540600 
H7 H     0.919468100    -0.863995630     0.141193240 
H8 H     0.675159200    -1.091009870     0.142166520 
H9 H     0.674518960    -0.928599620     0.157804360 
H10 H     0.902154940    -1.169818200     0.163009120 
H11 H     0.900555480    -1.007705830     0.178721510 
H12 H     0.657645220    -1.236156530     0.179452360 
H13 H     0.655391560    -1.073896830     0.195123650 
H14 H     0.884831510    -1.313320950     0.200449790 
H15 H     0.881022590    -1.151526240     0.216235710 
H16 H     0.640565000    -1.382540820     0.216617710 
H17 H     0.635576330    -1.220430930     0.232313330 
H18 H     0.867894740    -1.456868140     0.237894050 
H19 H     0.860693220    -1.295397880     0.253736150 
H20 H     0.624082790    -1.530276710     0.253675850 
H21 H     0.614957140    -1.368214210     0.269344630 
H22 H     0.851467120    -1.600031440     0.275410240 
H23 H     0.839312150    -1.438810090     0.291248780 
H24 H     0.608541630    -1.679099790     0.290672690 
H25 H     0.593453340    -1.516769490     0.306193030 
H26 H     0.835655110    -1.742025980     0.313341150 
H27 H     0.815288550    -1.580169790     0.329052500 
H28 H     0.591990150    -1.826818290     0.328136870 
H29 H     0.572340270    -1.661972640     0.343182730 
H30 H     0.763384620    -1.904296000     0.355445400 
H31 H     0.867039810    -1.892622560     0.388674030 
H32 H     0.990887120    -1.938526000     0.421446400 
H33 H     1.081997310    -1.860785670     0.458860270 
H34 H     0.891459170    -1.441548790     0.448416970 
H35 H     0.798613020    -1.520743340     0.410331730 
H36 H     1.143241790    -1.617632650     0.506799670 
H37 H     1.055035530    -1.777219950     0.496539020 
H38 H     1.221410010    -1.716714240     0.483595990 

#END
data_-162.626_gel26b_60_6558 
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 9.6809
_cell_length_b 9.1188
_cell_length_c 55.2925
_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     0.022879780     0.128121230     0.618558210 
C2 C    -0.013521790     0.187321020     0.593467720 
C3 C     0.111395090     0.249207310     0.579907530 
C4 C     0.076088530     0.309037080     0.554805390 
C5 C     0.201040820     0.370704750     0.541246560 
C6 C     0.165484290     0.431418670     0.516210870 
C7 C     0.290463880     0.492643580     0.502607130 
C8 C     0.254568070     0.554744150     0.477679140 
C9 C     0.379650050     0.615028510     0.463990660 
C10 C     0.343332970     0.678975250     0.439208870 
C11 C     0.468654010     0.737444440     0.425378000 
C12 C     0.431895030     0.803594200     0.400772550 
C13 C     0.557800300     0.858281940     0.386714490 
C14 C     0.518771730     0.925451310     0.362277510 
C15 C     0.708878590     0.876523360     0.333935460 
C16 C     0.917952490     0.869074290     0.307029670 
C17 C     1.027574230     0.953113410     0.298276690 
C18 C     1.125031440     0.894455420     0.282455190 
C19 C     1.113644520     0.748668760     0.275114210 
C20 C     1.004053240     0.664223790     0.283861270 
C21 C     0.907017470     0.722398540     0.299585220 
C22 C     1.314775230     0.761894340     0.250324770 
N1 N     0.637281140     0.973971010     0.348196150 
N2 N     0.824099140     0.937126810     0.322956550 
O1 O     0.671583100     0.749658790     0.331275160 
O2 O     1.202809530     0.679556990     0.259689190 
H1 H    -0.068086920     0.084741460     0.627835200 
H2 H     0.098977160     0.039681590     0.617338980 
H3 H     0.067104850     0.214262810     0.629957810 
H4 H    -0.092272960     0.273132870     0.595158300 
H5 H    -0.060498240     0.099871080     0.582624250 
H6 H     0.158622650     0.336602990     0.590763850 
H7 H     0.190201380     0.163325100     0.578177530 
H8 H    -0.002597160     0.395006290     0.556559570 
H9 H     0.028696150     0.221687140     0.543967320 
H10 H     0.248798670     0.457626180     0.552129760 
H11 H     0.279486680     0.284574770     0.539393950 
H12 H     0.087324650     0.517832870     0.518086000 
H13 H     0.117341770     0.344669320     0.505343950 
H14 H     0.339195710     0.578697550     0.513546170 
H15 H     0.368214210     0.405953920     0.500577500 
H16 H     0.177369080     0.641974350     0.479740510 
H17 H     0.205132980     0.468988920     0.466776540 
H18 H     0.429933170     0.699805320     0.474986420 
H19 H     0.456231750     0.527405760     0.461716010 
H20 H     0.267716450     0.767534490     0.441520810 
H21 H     0.291896910     0.594678290     0.428283750 
H22 H     0.521269510     0.820473390     0.436400630 
H23 H     0.543362160     0.648403930     0.422773610 
H24 H     0.358763330     0.894212850     0.403411850 
H25 H     0.377475400     0.721273890     0.389889480 
H26 H     0.614143770     0.939693800     0.397483400 
H27 H     0.628891880     0.767193850     0.383394130 
H28 H     0.450106440     1.019500310     0.364803830 
H29 H     0.463571380     0.844400400     0.351435820 
H30 H     0.670980800     1.077568270     0.350281660 
H31 H     0.844831370     1.043230160     0.326512940 
H32 H     1.037783220     1.066813770     0.303839440 
H33 H     1.208265320     0.963536260     0.276119720 
H34 H     0.996413450     0.551155360     0.278016950 
H35 H     0.822789490     0.656347290     0.306225990 
H36 H     1.371747430     0.687600470     0.238574620 
H37 H     1.278764480     0.856071830     0.239730350 
H38 H     1.383243280     0.800746240     0.264763100 

#END
data_-162.412_gel26b_61_38542 
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 8.6478
_cell_length_b 8.3011
_cell_length_c 65.4017
_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     0.647293520     0.330670990     0.132464310 
C2 C     0.611849400     0.426838050     0.151859390 
C3 C     0.644602530     0.332612890     0.171506000 
C4 C     0.609209670     0.427566930     0.191002740 
C5 C     0.642174490     0.333382310     0.210637190 
C6 C     0.605761490     0.428033660     0.230126810 
C7 C     0.639201180     0.334130970     0.249768040 
C8 C     0.601211750     0.428246600     0.269246730 
C9 C     0.635668590     0.334865750     0.288897110 
C10 C     0.595592700     0.428230290     0.308360830 
C11 C     0.632003890     0.335747560     0.328016030 
C12 C     0.589468490     0.428152600     0.347463650 
C13 C     0.629895500     0.337229680     0.367084230 
C14 C     0.584972620     0.430837690     0.386357530 
C15 C     0.773479500     0.364229390     0.413186310 
C16 C     0.933269220     0.260234250     0.442437210 
C17 C     0.930927200     0.156463870     0.459223480 
C18 C     1.059335630     0.138622490     0.471892280 
C19 C     1.193658120     0.225832620     0.467823210 
C20 C     1.196386430     0.329739350     0.451018520 
C21 C     1.068780440     0.347682390     0.438411440 
C22 C     1.327625020     0.114859330     0.496403010 
N1 N     0.626905500     0.349130760     0.405249750 
N2 N     0.798305100     0.270985990     0.430437070 
O1 O     0.870005130     0.453416620     0.405611940 
O2 O     1.326279480     0.218188520     0.479166160 
H1 H     0.622822530     0.400666910     0.118680140 
H2 H     0.769076130     0.295059730     0.131950250 
H3 H     0.577874720     0.220571450     0.131793190 
H4 H     0.490268890     0.464313050     0.151748420 
H5 H     0.680118660     0.538139220     0.151919090 
H6 H     0.576498940     0.221053190     0.171446820 
H7 H     0.766333670     0.295242230     0.171643470 
H8 H     0.487430980     0.464713220     0.190859530 
H9 H     0.677156180     0.539204140     0.191043320 
H10 H     0.574741060     0.221406260     0.210557880 
H11 H     0.764111070     0.296844910     0.210828150 
H12 H     0.483694300     0.464126430     0.229951470 
H13 H     0.672809020     0.540254630     0.230185210 
H14 H     0.572985880     0.221367390     0.249647400 
H15 H     0.761518920     0.299033000     0.250015270 
H16 H     0.478665730     0.462529130     0.269037410 
H17 H     0.666725800     0.541441400     0.269323480 
H18 H     0.571348010     0.220917410     0.288739630 
H19 H     0.758543020     0.302009830     0.289202280 
H20 H     0.472354260     0.459722770     0.308134340 
H21 H     0.658756390     0.542852980     0.308438060 
H22 H     0.570464790     0.220149970     0.327854690 
H23 H     0.755608320     0.306248880     0.328374160 
H24 H     0.465264630     0.455493230     0.347255290 
H25 H     0.649192060     0.544724210     0.347476380 
H26 H     0.572192770     0.219559100     0.367196390 
H27 H     0.754413130     0.314228510     0.367641750 
H28 H     0.460308660     0.453139720     0.386661290 
H29 H     0.643082140     0.547549310     0.386376680 
H30 H     0.549972320     0.273548670     0.411662080 
H31 H     0.709934620     0.201778930     0.435296660 
H32 H     0.827128530     0.087742490     0.462579710 
H33 H     1.052410530     0.056914380     0.484732050 
H34 H     1.301432810     0.396761080     0.448030130 
H35 H     1.072020880     0.428224770     0.425485410 
H36 H     1.441962140     0.127046490     0.503196100 
H37 H     1.239913340     0.150045490     0.507654980 
H38 H     1.308955950    -0.011113690     0.492008670 

#END
data_-162.285_gel26b_14_20684 
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 25.2775
_cell_length_b 9.43
_cell_length_c 9.7825
_cell_angle_alpha 90.0
_cell_angle_beta 78.5438
_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    -0.210194590     0.416596880     0.585658980 
C2 C    -0.162395010     0.490957700     0.492839810 
C3 C    -0.122518010     0.554434890     0.575045530 
C4 C    -0.074601420     0.629367240     0.483230310 
C5 C    -0.034715910     0.692632230     0.565454320 
C6 C     0.013001120     0.768380460     0.473654720 
C7 C     0.053001250     0.831248040     0.555752860 
C8 C     0.100403350     0.908271640     0.464034210 
C9 C     0.140628760     0.970286440     0.545932440 
C10 C     0.187608750     1.049005130     0.454356150 
C11 C     0.228227990     1.109359020     0.535960380 
C12 C     0.274706600     1.190096910     0.444613530 
C13 C     0.316006700     1.246942840     0.525861900 
C14 C     0.361851710     1.328636880     0.432988040 
C15 C     0.444086840     1.292735100     0.527044520 
C16 C     0.523763050     1.295039590     0.645102710 
C17 C     0.550972250     1.377277500     0.727680720 
C18 C     0.597081490     1.327453810     0.769943420 
C19 C     0.616754990     1.192570680     0.729383460 
C20 C     0.589575970     1.109945600     0.646785880 
C21 C     0.543736580     1.159352050     0.604612890 
C22 C     0.690341910     1.213670590     0.847370840 
N1 N     0.402647310     1.379850660     0.507043160 
N2 N     0.477472600     1.353683970     0.607086690 
O1 O     0.450369090     1.173988910     0.476733160 
O2 O     0.661519260     1.132762010     0.764394620 
H1 H    -0.238014100     0.372376370     0.524385450 
H2 H    -0.196512230     0.329579200     0.644043650 
H3 H    -0.233015860     0.490348700     0.661559310 
H4 H    -0.177270300     0.575247800     0.433078770 
H5 H    -0.141004930     0.415694780     0.415797050 
H6 H    -0.143907440     0.629628000     0.652343010 
H7 H    -0.107550100     0.470100490     0.634748960 
H8 H    -0.089611550     0.713765130     0.423704480 
H9 H    -0.053269890     0.554212500     0.405835250 
H10 H    -0.056090710     0.767332650     0.643260970 
H11 H    -0.019514490     0.608152200     0.624498050 
H12 H    -0.002228620     0.853108280     0.414948650 
H13 H     0.034294850     0.693849290     0.395557520 
H14 H     0.031639320     0.905042810     0.634511720 
H15 H     0.068528630     0.746370340     0.613670850 
H16 H     0.084846540     0.993627460     0.406736120 
H17 H     0.121603300     0.834766760     0.384760190 
H18 H     0.119352610     1.042759850     0.626132920 
H19 H     0.156591400     0.884713870     0.602094670 
H20 H     0.171633990     1.135417040     0.399231260 
H21 H     0.208596370     0.976990450     0.373338430 
H22 H     0.207199700     1.180048820     0.618191230 
H23 H     0.244750740     1.022706950     0.589476550 
H24 H     0.258217990     1.278183240     0.392728430 
H25 H     0.295222770     1.120065700     0.361175430 
H26 H     0.295967840     1.316102720     0.610664820 
H27 H     0.333756290     1.158920050     0.574119200 
H28 H     0.345950090     1.419923250     0.385096310 
H29 H     0.382152940     1.259827630     0.349053650 
H30 H     0.398041980     1.476752670     0.550820910 
H31 H     0.468276750     1.452533660     0.643191390 
H32 H     0.536115290     1.482528810     0.760089120 
H33 H     0.616890150     1.394759240     0.833856000 
H34 H     0.605281490     1.005385970     0.616011260 
H35 H     0.523063680     1.094797580     0.540830260 
H36 H     0.724063080     1.147728830     0.862502230 
H37 H     0.705924390     1.312292400     0.795019360 
H38 H     0.665221070     1.239136780     0.949216510 

#END
data_-162.277_gel26b_19_25036 
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 9.838
_cell_length_b 50.5507
_cell_length_c 4.5875
_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     1.751201970     0.607068050     0.456497440 
C2 C     1.717031240     0.582437200     0.277149500 
C3 C     1.636191080     0.561788380     0.448925500 
C4 C     1.601191320     0.537089590     0.271368160 
C5 C     1.520537570     0.516440460     0.443330910 
C6 C     1.484781960     0.491824260     0.265030110 
C7 C     1.404535410     0.471126450     0.437136980 
C8 C     1.367580000     0.446640780     0.257784590 
C9 C     1.288183310     0.425848600     0.430317750 
C10 C     1.249621890     0.401538120     0.249633730 
C11 C     1.171846850     0.380583980     0.423136160 
C12 C     1.131353290     0.356481470     0.240988420 
C13 C     1.056908050     0.335258840     0.416893170 
C14 C     1.015994860     0.311448900     0.230277090 
C15 C     1.024080910     0.271925430     0.541911890 
C16 C     0.989805660     0.232946930     0.873813240 
C17 C     0.891018770     0.218139700     1.018883900 
C18 C     0.925722450     0.196522040     1.192009770 
C19 C     1.061893680     0.189385430     1.222350560 
C20 C     1.161038640     0.204184960     1.077531230 
C21 C     1.126701940     0.225678450     0.905182960 
C22 C     1.010239840     0.153037810     1.534475610 
N1 N     0.948901300     0.290577900     0.394762260 
N2 N     0.945764360     0.254491150     0.703240770 
O1 O     1.147861220     0.271035710     0.525969500 
O2 O     1.107840980     0.168608480     1.385801520 
H1 H     1.808795980     0.621474030     0.328695610 
H2 H     1.812091660     0.601941360     0.647978620 
H3 H     1.658733040     0.616832500     0.533995200 
H4 H     1.658962260     0.588196130     0.083261430 
H5 H     1.811130700     0.573399100     0.196632390 
H6 H     1.542073290     0.570827310     0.530003660 
H7 H     1.694324930     0.555985080     0.642836870 
H8 H     1.542940400     0.542912260     0.077723260 
H9 H     1.695301600     0.528078270     0.189998680 
H10 H     1.426703080     0.525480940     0.525778890 
H11 H     1.579030110     0.510526160     0.636284580 
H12 H     1.425955700     0.497747730     0.072561380 
H13 H     1.578550810     0.482820400     0.181787350 
H14 H     1.311215470     0.480176640     0.522119060 
H15 H     1.463769690     0.465060820     0.628468060 
H16 H     1.307713630     0.452711830     0.067355430 
H17 H     1.460791480     0.437664630     0.171378300 
H18 H     1.195602080     0.434880200     0.519182750 
H19 H     1.348636800     0.419583970     0.619080130 
H20 H     1.188077800     0.407792960     0.062399130 
H21 H     1.342029930     0.392639380     0.158472520 
H22 H     1.080244920     0.389526020     0.517570390 
H23 H     1.234160250     0.374066830     0.607934110 
H24 H     1.067225350     0.362955210     0.058580680 
H25 H     1.222710620     0.347777970     0.143072210 
H26 H     0.965934720     0.343744570     0.518708020 
H27 H     1.122226040     0.328170280     0.593437910 
H28 H     0.947740720     0.317576320     0.054526780 
H29 H     1.106392110     0.302828370     0.130298160 
H30 H     0.847057550     0.291048310     0.413888960 
H31 H     0.844294610     0.257169980     0.700116770 
H32 H     0.784554190     0.223466810     0.997330700 
H33 H     0.845875310     0.185605630     1.300391930 
H34 H     1.266415240     0.198430450     1.102940220 
H35 H     1.203962530     0.236966680     0.794221820 
H36 H     1.067313280     0.137770300     1.648650040 
H37 H     0.938976580     0.143670180     1.382445330 
H38 H     0.952932280     0.164787670     1.693398740 

#END
data_-162.189_gel26b_2_16417 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 8.9364
_cell_length_b 10.6621
_cell_length_c 25.4415
_cell_angle_alpha 117.3989
_cell_angle_beta 72.0731
_cell_angle_gamma 148.3256
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.901812290     0.895265350     0.210622540 
C2 C     0.701583910     0.822416000     0.256293710 
C3 C     0.666609230     0.720250860     0.293141160 
C4 C     0.466200270     0.646227870     0.338879700 
C5 C     0.431641720     0.544444100     0.375755750 
C6 C     0.229644370     0.468803120     0.421202730 
C7 C     0.195766050     0.367849870     0.458240520 
C8 C    -0.008667600     0.289663620     0.503228120 
C9 C    -0.041034610     0.190459220     0.540590040 
C10 C    -0.248678230     0.108878830     0.584963010 
C11 C    -0.278037610     0.013022240     0.622906830 
C12 C    -0.489453980    -0.072614740     0.666548760 
C13 C    -0.512292370    -0.161583260     0.705555970 
C14 C    -0.727020710    -0.249053850     0.748433470 
C15 C    -0.550319350    -0.143340440     0.840277800 
C16 C    -0.425876170    -0.113735240     0.925667160 
C17 C    -0.500314050    -0.259438230     0.947046540 
C18 C    -0.354444560    -0.144561020     1.001345570 
C19 C    -0.128774650     0.121726240     1.035365230 
C20 C    -0.053616830     0.268149440     1.014054300 
C21 C    -0.198530280     0.154207370     0.960085700 
C22 C    -0.041831300     0.112993690     1.112422610 
N1 N    -0.745563080    -0.326605100     0.787461460 
N2 N    -0.584753830    -0.245547890     0.870331250 
O1 O    -0.368007110     0.085991810     0.858356800 
O2 O     0.029190470     0.255154080     1.089173670 
H1 H     0.922780530     0.967380190     0.184938290 
H2 H     1.119138810     1.047274510     0.233050060 
H3 H     0.819366470     0.727149450     0.178556930 
H4 H     0.487770400     0.674680500     0.232832410 
H5 H     0.785373940     0.992388370     0.286953670 
H6 H     0.583165270     0.550341790     0.262486530 
H7 H     0.880490940     0.868152080     0.316707400 
H8 H     0.252334110     0.498136940     0.315260580 
H9 H     0.549468820     0.816046740     0.369468680 
H10 H     0.349556060     0.375303040     0.345158690 
H11 H     0.645324650     0.692948900     0.399593300 
H12 H     0.015771870     0.319751280     0.397309310 
H13 H     0.311138010     0.637648880     0.451698340 
H14 H     0.116185820     0.200105610     0.427733940 
H15 H     0.409362770     0.517594350     0.482476120 
H16 H    -0.222647590     0.138891050     0.478912310 
H17 H     0.069875410     0.456888240     0.533535980 
H18 H    -0.116890690     0.024792700     0.510287800 
H19 H     0.172540850     0.342213240     0.565373990 
H20 H    -0.462955020    -0.044636630     0.560081520 
H21 H    -0.174476920     0.273698330     0.614915860 
H22 H    -0.348747280    -0.149756780     0.593023070 
H23 H    -0.064468800     0.167787320     0.648416130 
H24 H    -0.704320700    -0.230312390     0.640933250 
H25 H    -0.421184450     0.088879790     0.695824950 
H26 H    -0.577602840    -0.321478740     0.676868040 
H27 H    -0.300146740    -0.002129070     0.732559010 
H28 H    -0.944297710    -0.412980420     0.723132630 
H29 H    -0.661538180    -0.089790480     0.777367720 
H30 H    -0.891849900    -0.514003390     0.773254530 
H31 H    -0.742843900    -0.438157450     0.851019600 
H32 H    -0.675586400    -0.467023140     0.921031650 
H33 H    -0.419363810    -0.264842560     1.016200220 
H34 H     0.122048640     0.474766060     1.040914640 
H35 H    -0.138971300     0.268864730     0.944039860 
H36 H     0.106809970     0.253561350     1.154955000 
H37 H    -0.265119560    -0.038287360     1.120632140 
H38 H    -0.012743000     0.023045150     1.082116860 

#END
data_-162.189_gel26b_2_15887 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 25.5873
_cell_length_b 45.9811
_cell_length_c 22.6118
_cell_angle_alpha 13.3932
_cell_angle_beta 145.6875
_cell_angle_gamma 158.0051
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.098187120    -0.118982360     0.546774400 
C2 C     0.298415950     0.162954350     0.228800930 
C3 C     0.333390380     0.093890840     0.438749870 
C4 C     0.533799810     0.374947730     0.122784000 
C5 C     0.568358110     0.305404740     0.333304380 
C6 C     0.770355920     0.588311960     0.014934680 
C7 C     0.804233980     0.518077280     0.226319920 
C8 C     1.008668090     0.803771200    -0.095646240 
C9 C     1.041034850     0.731938630     0.117747600 
C10 C     1.248678930     1.021273000    -0.208904120 
C11 C     1.278038060     0.946191070     0.008562700 
C12 C     1.489454890     1.239745380    -0.323487190 
C13 C     1.512293030     1.157446160    -0.097043360 
C14 C     1.727021830     1.456555210    -0.437655220 
C15 C     1.550320160     1.117021320     0.156555240 
C16 C     1.425876580     0.812350410     0.726842870 
C17 C     1.500314200     0.794143510     0.859073720 
C18 C     1.354444560     0.562982580     1.229824970 
C19 C     1.128774740     0.343910530     1.476318890 
C20 C     1.053617180     0.361329310     1.345012810 
C21 C     1.198530790     0.591182870     0.976250680 
C22 C     1.041831020     0.084233520     1.985786600 
N1 N     1.745563980     1.377060500    -0.221095630 
N2 N     1.584754380     1.053629090     0.347827410 
O1 O     1.368008040     0.963650260     0.299064240 
O2 O     0.970809490     0.107599590     1.844783970 
H1 H     0.077219060    -0.063119560     0.388396470 
H2 H    -0.119139680    -0.424054020     0.962018460 
H3 H     0.180632660    -0.090141350     0.539472340 
H4 H     0.512229740     0.466307420    -0.187552720 
H5 H     0.214626210     0.134687050     0.232205730 
H6 H     0.416834060     0.121523990     0.436272660 
H7 H     0.119508400    -0.209537820     0.855291480 
H8 H     0.747666240     0.678208480    -0.293490190 
H9 H     0.450531540     0.347640840     0.124718460 
H10 H     0.650443470     0.331031710     0.333538770 
H11 H     0.354674900     0.002705870     0.748856470 
H12 H     0.984228680     0.890898770    -0.400259610 
H13 H     0.688862560     0.563675170     0.013210490 
H14 H     0.883813920     0.539999710     0.231548460 
H15 H     0.590636990     0.216392470     0.640328170 
H16 H     1.222648340     1.105274670    -0.508988750 
H17 H     0.930125370     0.783602290    -0.103543320 
H18 H     1.116890630     0.748286160     0.130606130 
H19 H     0.827459130     0.431757550     0.529318000 
H20 H     1.462955970     1.321192830    -0.619348260 
H21 H     1.174477920     1.007737390    -0.226081100 
H22 H     1.348747420     0.954714790     0.032340910 
H23 H     1.064468990     0.648309000     0.416267100 
H24 H     1.704321850     1.537396890    -0.729538780 
H25 H     1.421185660     1.235425020    -0.353839530 
H26 H     1.577603180     1.156859180    -0.059247160 
H27 H     1.300147160     0.865605840     0.301494460 
H28 H     1.944299060     1.752483690    -0.837535800 
H29 H     1.661539620     1.455919660    -0.472932120 
H30 H     1.891850670     1.496442600    -0.327780030 
H31 H     1.742844350     1.196511170     0.200841590 
H32 H     1.675586470     0.963118060     0.670382020 
H33 H     1.419363610     0.557684670     1.320194530 
H34 H     0.877951780     0.189754770     1.539356820 
H35 H     1.138972000     0.602768330     0.877475120 
H36 H     0.893189670    -0.115013780     2.278172240 
H37 H     1.265119560     0.371319740     1.643112210 
H38 H     1.012742300    -0.033586330     2.162031870 

#END
data_-161.976_gel26b_14_6918 
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 33.045
_cell_length_b 8.7605
_cell_length_c 9.1264
_cell_angle_alpha 90.0
_cell_angle_beta 67.9959
_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     0.243229770     0.192833830     0.565282700 
C2 C     0.281481500     0.292057060     0.563743850 
C3 C     0.318658660     0.199676740     0.581797800 
C4 C     0.357055960     0.297855630     0.580773280 
C5 C     0.394234330     0.205416820     0.598611040 
C6 C     0.432493410     0.303779400     0.598649490 
C7 C     0.469749470     0.211375490     0.615933020 
C8 C     0.507791910     0.309964050     0.617643370 
C9 C     0.545200070     0.217564540     0.633773040 
C10 C     0.582952830     0.316416360     0.637714130 
C11 C     0.620623630     0.223934940     0.651666980 
C12 C     0.658034440     0.323034150     0.658270170 
C13 C     0.696145250     0.230136710     0.667856130 
C14 C     0.733016840     0.331276650     0.676063490 
C15 C     0.802231630     0.195648940     0.542162150 
C16 C     0.871281740     0.040889250     0.451618520 
C17 C     0.898678250    -0.044702700     0.504869530 
C18 C     0.936257140    -0.114231680     0.399659730 
C19 C     0.946979370    -0.098621110     0.237390590 
C20 C     0.919595320    -0.013082390     0.183719670 
C21 C     0.882227440     0.056191750     0.288173520 
C22 C     1.011611960    -0.248199750     0.173271830 
N1 N     0.770311730     0.245496890     0.680020930 
N2 N     0.833957200     0.107292890     0.566147760 
O1 O     0.802172370     0.228960860     0.412357330 
O2 O     0.982923470    -0.161431780     0.123419900 
H1 H     0.217167270     0.261603520     0.552308570 
H2 H     0.253722400     0.109690540     0.468776790 
H3 H     0.229264510     0.129123090     0.676101190 
H4 H     0.269887370     0.376634900     0.659023280 
H5 H     0.294194520     0.357225870     0.453228510 
H6 H     0.305952420     0.134216120     0.692272820 
H7 H     0.330325290     0.115125180     0.486345420 
H8 H     0.345362540     0.382236210     0.676363710 
H9 H     0.369712830     0.363448380     0.470401780 
H10 H     0.381541980     0.139309290     0.708643350 
H11 H     0.406065860     0.121491070     0.502631750 
H12 H     0.420657180     0.387384850     0.694946030 
H13 H     0.445115050     0.370260500     0.488857480 
H14 H     0.457071730     0.144065410     0.725172050 
H15 H     0.481798700     0.128515720     0.519005620 
H16 H     0.495753190     0.392232500     0.715145790 
H17 H     0.520329070     0.377940600     0.508844750 
H18 H     0.532600130     0.148421010     0.741771330 
H19 H     0.557526850     0.136378080     0.535391480 
H20 H     0.570675160     0.396608010     0.737046780 
H21 H     0.595303930     0.386627010     0.530455390 
H22 H     0.608239380     0.152181680     0.757824210 
H23 H     0.633289360     0.145295520     0.551190050 
H24 H     0.645492820     0.400111690     0.760283450 
H25 H     0.669980310     0.396388040     0.553301180 
H26 H     0.684608100     0.154984440     0.771493450 
H27 H     0.709600690     0.156653250     0.563818870 
H28 H     0.721181210     0.404317130     0.780864460 
H29 H     0.744807320     0.405449840     0.572516390 
H30 H     0.770875140     0.215156350     0.785559150 
H31 H     0.830575980     0.087175660     0.678833450 
H32 H     0.890740560    -0.057875500     0.630917520 
H33 H     0.956548450    -0.179463250     0.446103550 
H34 H     0.928300640    -0.001859250     0.057400230 
H35 H     0.861316240     0.122018840     0.245577130 
H36 H     1.037696990    -0.286673910     0.065786370 
H37 H     1.025581460    -0.179076590     0.242818190 
H38 H     0.995173380    -0.347799640     0.242981400 

#END
data_-161.825_gel26b_2_13893 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 11.5761
_cell_length_b 5.5869
_cell_length_c 23.7104
_cell_angle_alpha 101.785
_cell_angle_beta 68.7158
_cell_angle_gamma 127.8849
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.439454270     0.050756330     0.768873440 
C2 C     0.410804880     0.126520580     0.719134660 
C3 C     0.546484840     0.435991550     0.688107500 
C4 C     0.518914210     0.514383520     0.638361060 
C5 C     0.654672690     0.823597720     0.607307420 
C6 C     0.626605650     0.902720930     0.557843850 
C7 C     0.762516770     1.211438490     0.526626440 
C8 C     0.733725350     1.291784300     0.477611850 
C9 C     0.869999520     1.599495510     0.446069330 
C10 C     0.840274220     1.681511250     0.397657450 
C11 C     0.977275480     1.987303960     0.365535140 
C12 C     0.946500070     2.071403830     0.317843590 
C13 C     1.085048570     2.373199360     0.284672720 
C14 C     1.051471350     2.454863890     0.237633070 
C15 C     1.291752090     2.738232340     0.154052670 
C16 C     1.543507340     3.107201800     0.078087420 
C17 C     1.654197400     3.414741090     0.062064400 
C18 C     1.784852040     3.514989250     0.011904320 
C19 C     1.806482590     3.305071270    -0.023311010 
C20 C     1.695907420     2.997016540    -0.007355150 
C21 C     1.565886710     2.896933640     0.042490090 
C22 C     2.043861150     3.686761730    -0.091218030 
N1 N     1.183184530     2.736401540     0.204030380 
N2 N     1.414894030     3.025687430     0.129490910 
O1 O     1.277603620     2.505451020     0.133715420 
O2 O     1.929771140     3.376773310    -0.073406330 
H1 H     0.340855460    -0.171052610     0.790270410 
H2 H     0.539759240     0.046966200     0.750589790 
H3 H     0.461143760     0.219690820     0.804299310 
H4 H     0.307704730     0.121519960     0.738343580 
H5 H     0.385890740    -0.049654450     0.685007100 
H6 H     0.571670290     0.612457560     0.722244720 
H7 H     0.649692640     0.441055610     0.668793520 
H8 H     0.415799550     0.509584190     0.657736550 
H9 H     0.493525360     0.337688850     0.604281800 
H10 H     0.680499250     1.000169500     0.641418780 
H11 H     0.757643980     0.827986050     0.587692220 
H12 H     0.523871330     0.899138930     0.577532550 
H13 H     0.600315120     0.725759300     0.523813860 
H14 H     0.789514510     1.388197000     0.560706100 
H15 H     0.864994770     1.214291260     0.506560370 
H16 H     0.631715330     1.290497550     0.497791190 
H17 H     0.705876510     1.114277550     0.443694770 
H18 H     0.898871160     1.776762160     0.480035620 
H19 H     0.971601340     1.599676410     0.425370380 
H20 H     0.739509540     1.684093560     0.418510330 
H21 H     0.809999590     1.502982650     0.363982180 
H22 H     1.008983220     2.165692420     0.399214960 
H23 H     1.077402500     1.983189070     0.343980430 
H24 H     0.847753980     2.080151310     0.339594510 
H25 H     0.912579420     1.890924270     0.284682370 
H26 H     1.121327400     2.555624890     0.317343410 
H27 H     1.182268280     2.361922800     0.261365920 
H28 H     0.957020260     2.475675780     0.259307310 
H29 H     1.016427900     2.274879570     0.204773540 
H30 H     1.198332810     2.931734900     0.220254400 
H31 H     1.414215130     3.201415850     0.150218640 
H32 H     1.638910620     3.580852760     0.089072350 
H33 H     1.867628880     3.755356780     0.001140700 
H34 H     1.714108190     2.836367670    -0.035088920 
H35 H     1.481191620     2.658705340     0.054413820 
H36 H     2.129991090     3.693601660    -0.131524980 
H37 H     1.996310880     3.784410690    -0.102305650 
H38 H     2.098109870     3.820746830    -0.055949840 

#END
data_-161.708_gel26b_19_21171 
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 4.7729
_cell_length_b 7.6139
_cell_length_c 61.9671
_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     0.230673080    -0.217834110     0.117256440 
C2 C     0.082344130    -0.260872070     0.138492330 
C3 C     0.261250450    -0.220870790     0.158395570 
C4 C     0.115111760    -0.263814620     0.179728270 
C5 C     0.293926840    -0.223574210     0.199619090 
C6 C     0.148357070    -0.267667370     0.220941520 
C7 C     0.326665650    -0.226896090     0.240841970 
C8 C     0.182093030    -0.272763320     0.262148040 
C9 C     0.359454330    -0.230852570     0.282062750 
C10 C     0.216273980    -0.279066580     0.303346250 
C11 C     0.391985580    -0.234963380     0.323274050 
C12 C     0.250576370    -0.285941610     0.344531960 
C13 C     0.423355180    -0.237325000     0.364437320 
C14 C     0.279824440    -0.291049680     0.385521310 
C15 C     0.409417670    -0.075010560     0.413255660 
C16 C     0.607383230     0.109530360     0.443218840 
C17 C     0.802090100     0.109961470     0.460021170 
C18 C     0.837741310     0.256302420     0.473240960 
C19 C     0.676330040     0.406230180     0.469720990 
C20 C     0.481351740     0.406233590     0.452900490 
C21 C     0.445538350     0.260800840     0.439746730 
C22 C     0.887084790     0.561657030     0.498912880 
N1 N     0.435907990    -0.240996320     0.404737810 
N2 N     0.584933020    -0.044043500     0.430641980 
O1 O     0.243387890     0.031938840     0.406052410 
O2 O     0.692933480     0.557051300     0.481631440 
H1 H     0.098479900    -0.247706830     0.103324810 
H2 H     0.286062920    -0.078517900     0.116438720 
H3 H     0.424521030    -0.293407140     0.115603160 
H4 H     0.023169250    -0.400014950     0.138667510 
H5 H    -0.114062150    -0.186640790     0.139511520 
H6 H     0.458097640    -0.294906360     0.157374760 
H7 H     0.320259860    -0.081559920     0.158249200 
H8 H     0.056488980    -0.403172870     0.179866670 
H9 H    -0.081878360    -0.189959710     0.180730110 
H10 H     0.491446250    -0.296836670     0.198573700 
H11 H     0.351526760    -0.084054530     0.199536170 
H12 H     0.091548570    -0.407322200     0.221037110 
H13 H    -0.049586540    -0.194850290     0.221966890 
H14 H     0.525456160    -0.298752420     0.239746630 
H15 H     0.381798080    -0.086985970     0.240830580 
H16 H     0.128419470    -0.412908530     0.262192400 
H17 H    -0.017449430    -0.201715970     0.263200650 
H18 H     0.560175980    -0.300522850     0.280918960 
H19 H     0.410719520    -0.090376340     0.282131480 
H20 H     0.167460460    -0.419915780     0.303348770 
H21 H     0.014369330    -0.210729820     0.304410970 
H22 H     0.595429520    -0.301427080     0.322112810 
H23 H     0.437435750    -0.093757160     0.323427130 
H24 H     0.209029690    -0.427764530     0.344518220 
H25 H     0.045402450    -0.221568200     0.345544530 
H26 H     0.630445290    -0.299371410     0.363547410 
H27 H     0.457659500    -0.095273020     0.364855630 
H28 H     0.247486360    -0.433245530     0.386004260 
H29 H     0.074492060    -0.228512910     0.386541490 
H30 H     0.576366890    -0.326104230     0.410836280 
H31 H     0.713544870    -0.142327800     0.435156530 
H32 H     0.929311470    -0.005856700     0.462953120 
H33 H     0.990973560     0.250872340     0.486072190 
H34 H     0.357337040     0.523519160     0.450341860 
H35 H     0.294434240     0.262081660     0.426814020 
H36 H     0.866231990     0.691125680     0.506194970 
H37 H     0.840067120     0.461057200     0.511044460 
H38 H     1.102768840     0.544164040     0.493213990 

#END
data_-161.648_gel26b_14_26511 
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 4.5536
_cell_length_b 52.3928
_cell_length_c 9.8369
_cell_angle_alpha 90.0
_cell_angle_beta 97.9686
_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     1.541178740     1.060932640     0.600844630 
C2 C     1.734885840     1.039888600     0.674400020 
C3 C     1.555444330     1.017164600     0.715781670 
C4 C     1.747009030     0.996023830     0.789725440 
C5 C     1.567519520     0.973298160     0.830899600 
C6 C     1.759110550     0.952241250     0.905664860 
C7 C     1.579858230     0.929470170     0.946451010 
C8 C     1.771370130     0.908543970     1.022493500 
C9 C     1.592480000     0.885683120     1.062442050 
C10 C     1.783812910     0.864931240     1.140178160 
C11 C     1.605431260     0.841914080     1.178492070 
C12 C     1.796422880     0.821367210     1.258237350 
C13 C     1.618571840     0.798083940     1.293095180 
C14 C     1.812957000     0.777877380     1.374094340 
C15 C     1.598170470     0.735815370     1.309762320 
C16 C     1.333862990     0.693667760     1.279353170 
C17 C     1.156230300     0.676756270     1.341328260 
C18 C     1.057113910     0.653931100     1.278218010 
C19 C     1.135933730     0.647693460     1.150299640 
C20 C     1.313589710     0.664596560     1.087949960 
C21 C     1.412458310     0.687295010     1.150591610 
C22 C     0.873380520     0.608209210     1.139187870 
N1 N     1.650349990     0.755148500     1.404626690 
N2 N     1.424250130     0.716317990     1.350381990 
O1 O     1.700445830     0.736101720     1.201431730 
O2 O     1.052157660     0.625890430     1.078879890 
H1 H     1.674749750     1.076911280     0.572561150 
H2 H     1.411221550     1.053706100     0.506796610 
H3 H     1.385133620     1.068411460     0.666145640 
H4 H     1.867867680     1.047771780     0.766271510 
H5 H     1.893535770     1.033156180     0.608106630 
H6 H     1.396247530     1.023889490     0.781973980 
H7 H     1.422569870     1.009239380     0.623855920 
H8 H     1.879512740     1.003962720     0.881697150 
H9 H     1.906424500     0.989329370     0.723595160 
H10 H     1.407214900     0.980006580     0.896548780 
H11 H     1.436013780     0.965284000     0.738873340 
H12 H     1.889908040     0.960254620     0.997889240 
H13 H     1.920054410     0.945578770     0.840233790 
H14 H     1.417484610     0.936154550     1.011102610 
H15 H     1.450693860     0.921341230     0.854125710 
H16 H     1.899231660     0.916660290     1.115200010 
H17 H     1.934879570     0.901949960     0.958222690 
H18 H     1.426965610     0.892298520     1.125616990 
H19 H     1.466975730     0.877411380     0.969594260 
H20 H     1.907132710     0.873163450     1.233693620 
H21 H     1.951133870     0.858474400     1.077612860 
H22 H     1.435476890     0.848370140     1.239634630 
H23 H     1.485456580     0.833473680     1.084846190 
H24 H     1.912958870     0.829718260     1.353031510 
H25 H     1.969058420     0.815186960     1.197995240 
H26 H     1.442916150     0.804003060     1.352219320 
H27 H     1.509597250     0.789242680     1.198581160 
H28 H     1.920986070     0.785772040     1.471295280 
H29 H     1.986729580     0.771799130     1.315134440 
H30 H     1.560994560     0.754576460     1.492554900 
H31 H     1.352058770     0.718172840     1.442171490 
H32 H     1.093029250     0.681361340     1.440938920 
H33 H     0.919954090     0.641391480     1.329950390 
H34 H     1.373195500     0.659521010     0.988604060 
H35 H     1.549570980     0.700206950     1.101659170 
H36 H     0.833543030     0.592443700     1.066885000 
H37 H     0.986403830     0.601006090     1.237365930 
H38 H     0.660515920     0.616642080     1.155253530 

#END
data_-161.648_gel26b_14_18405 
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 4.5536
_cell_length_b 52.3928
_cell_length_c 9.8369
_cell_angle_alpha 90.0
_cell_angle_beta 82.0314
_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     0.041178510     0.439067360     0.399155450 
C2 C     0.234885610     0.460111400     0.325600030 
C3 C     0.055444120     0.482835390     0.284218390 
C4 C     0.247008830     0.503976170     0.210274590 
C5 C     0.067519330     0.526701840     0.169100440 
C6 C     0.259110380     0.547758750     0.094335140 
C7 C     0.079858070     0.570529830     0.053548990 
C8 C     0.271369980     0.591456020    -0.022493520 
C9 C     0.092479870     0.614316870    -0.062442080 
C10 C     0.283812790     0.635068750    -0.140178220 
C11 C     0.105431160     0.658085920    -0.178492130 
C12 C     0.296422800     0.678632780    -0.258237430 
C13 C     0.118571760     0.701916050    -0.293095260 
C14 C     0.312956940     0.722122610    -0.374094460 
C15 C     0.098170390     0.764184610    -0.309762420 
C16 C    -0.166137100     0.806332220    -0.279353270 
C17 C    -0.343769770     0.823243710    -0.341328360 
C18 C    -0.442886170     0.846068880    -0.278218110 
C19 C    -0.364066390     0.852306520    -0.150299730 
C20 C    -0.186410430     0.835403420    -0.087950050 
C21 C    -0.087541810     0.812704970    -0.150591700 
C22 C    -0.626619610     0.891790760    -0.139187960 
N1 N     0.150349930     0.744851480    -0.404626800 
N2 N    -0.075749940     0.783682000    -0.350382100 
O1 O     0.200445720     0.763898270    -0.201431830 
O2 O    -0.447842480     0.874109550    -0.078879980 
H1 H     0.174749500     0.423088720     0.427438940 
H2 H    -0.088778710     0.446293900     0.493203490 
H3 H    -0.114866600     0.431588540     0.333854450 
H4 H     0.367867480     0.452228220     0.233728540 
H5 H     0.393535520     0.466843830     0.391893420 
H6 H    -0.103752660     0.476110500     0.218026090 
H7 H    -0.077430370     0.490760610     0.376144150 
H8 H     0.379512560     0.496037280     0.118302870 
H9 H     0.406424280     0.510670630     0.276404860 
H10 H    -0.092785260     0.519993410     0.103451260 
H11 H    -0.063986420     0.534715990     0.261126700 
H12 H     0.389907890     0.539745380     0.002110750 
H13 H     0.420054220     0.554421230     0.159766200 
H14 H    -0.082515530     0.563845440    -0.011102600 
H15 H    -0.049306320     0.578658760     0.145874310 
H16 H     0.399231540     0.583339710    -0.115200050 
H17 H     0.434879400     0.598050030     0.041777270 
H18 H    -0.073034500     0.607701470    -0.125617010 
H19 H    -0.033024430     0.622588610     0.030405730 
H20 H     0.407132620     0.626836550    -0.233693690 
H21 H     0.451133730     0.641525590    -0.077612920 
H22 H    -0.064523190     0.651629840    -0.239634680 
H23 H    -0.014543550     0.666526310    -0.084846230 
H24 H     0.412958810     0.670281730    -0.353031610 
H25 H     0.469058300     0.684813040    -0.197995340 
H26 H    -0.057083910     0.695996930    -0.352219390 
H27 H     0.009597140     0.710757310    -0.198581230 
H28 H     0.420986040     0.714227950    -0.471295410 
H29 H     0.486729500     0.728200860    -0.315134560 
H30 H     0.060994540     0.745423530    -0.492555020 
H31 H    -0.147941270     0.781827150    -0.442171600 
H32 H    -0.406970790     0.818638640    -0.440939030 
H33 H    -0.580045980     0.858608500    -0.329950490 
H34 H    -0.126804670     0.840478970     0.011395850 
H35 H     0.049570840     0.799793040    -0.101659270 
H36 H    -0.666457120     0.907556280    -0.066885080 
H37 H    -0.513596270     0.898993880    -0.237366030 
H38 H    -0.839484190     0.883357890    -0.155253590 

#END
data_-161.556_gel26b_14_13286 
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 31.0801
_cell_length_b 4.909
_cell_length_c 15.1124
_cell_angle_alpha 90.0
_cell_angle_beta 85.6008
_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     0.239313950     0.294761640     0.310671090 
C2 C     0.282131530     0.140174240     0.308003980 
C3 C     0.318238910     0.278971300     0.249918790 
C4 C     0.361195660     0.125696920     0.246617350 
C5 C     0.397292030     0.264747750     0.188637030 
C6 C     0.440162750     0.110379640     0.184888700 
C7 C     0.476314240     0.249791260     0.127168350 
C8 C     0.519048300     0.093804080     0.122701670 
C9 C     0.555302250     0.234075620     0.065513200 
C10 C     0.597852000     0.075989620     0.060079480 
C11 C     0.634271060     0.218026010     0.003890240 
C12 C     0.676602470     0.057543040    -0.002715980 
C13 C     0.713254460     0.203515960    -0.056898940 
C14 C     0.755174660     0.038515500    -0.063528920 
C15 C     0.815682840     0.362176320    -0.070414840 
C16 C     0.877427640     0.684554290    -0.105692520 
C17 C     0.905335680     0.785489910    -0.174735400 
C18 C     0.936783730     0.978620550    -0.159520710 
C19 C     0.940685070     1.074407870    -0.073644860 
C20 C     0.912768150     0.973869100    -0.004391130 
C21 C     0.881493470     0.781727000    -0.019396950 
C22 C     0.999298570     1.368511880    -0.119194030 
N1 N     0.790959250     0.177124620    -0.112338650 
N2 N     0.846578320     0.489590080    -0.126980800 
O1 O     0.810593300     0.404481840     0.009303550 
O2 O     0.970257590     1.263049280    -0.050841000 
H1 H     0.214122930     0.191252930     0.352514940 
H2 H     0.242734950     0.500688300     0.336967430 
H3 H     0.227980450     0.313958780     0.244158880 
H4 H     0.277563500    -0.067260570     0.283502880 
H5 H     0.292235750     0.118286830     0.375577360 
H6 H     0.308129840     0.301358170     0.182293870 
H7 H     0.322874500     0.486498690     0.274470590 
H8 H     0.356533120    -0.081660230     0.221967640 
H9 H     0.371263160     0.103016400     0.314251120 
H10 H     0.387154240     0.288502660     0.121094080 
H11 H     0.402094260     0.471674580     0.213511970 
H12 H     0.435359820    -0.096267110     0.159765820 
H13 H     0.450251670     0.085839920     0.252437040 
H14 H     0.466112880     0.276066210     0.059769280 
H15 H     0.481332640     0.455726260     0.152666260 
H16 H     0.514047910    -0.111604090     0.096738370 
H17 H     0.529148100     0.066118940     0.190114080 
H18 H     0.545059830     0.264221240    -0.001688390 
H19 H     0.560595290     0.438422200     0.092015480 
H20 H     0.592620940    -0.127455540     0.032781100 
H21 H     0.607908900     0.043558320     0.127300180 
H22 H     0.624075060     0.253746850    -0.063062870 
H23 H     0.639901510     0.419859390     0.031914930 
H24 H     0.671119930    -0.142902270    -0.032047600 
H25 H     0.686456690     0.018329130     0.064268090 
H26 H     0.703697880     0.246643830    -0.123860500 
H27 H     0.719707240     0.399768920    -0.026242360 
H28 H     0.750416080    -0.157430430    -0.095855980 
H29 H     0.764963820    -0.003080490     0.002972260 
H30 H     0.795518500     0.148012080    -0.178288100 
H31 H     0.847751150     0.438380860    -0.191680160 
H32 H     0.902673520     0.712804720    -0.241966110 
H33 H     0.957723810     1.051160880    -0.214965820 
H34 H     0.916143820     1.049963720     0.061986580 
H35 H     0.860116110     0.705327570     0.034498630 
H36 H     1.019825480     1.512281420    -0.087259780 
H37 H     1.019385510     1.207428160    -0.151162160 
H38 H     0.982235160     1.475505970    -0.169716220 

#END
data_-161.519_gel26b_2_1231 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 11.6353
_cell_length_b 8.122
_cell_length_c 24.9697
_cell_angle_alpha 116.0968
_cell_angle_beta 124.9976
_cell_angle_gamma 35.4382
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.322685130     0.534713380     0.193550530 
C2 C     0.527714630     0.328538660     0.184081630 
C3 C     0.481208360     0.331104710     0.113175640 
C4 C     0.685268280     0.125129530     0.103120580 
C5 C     0.638627970     0.128080000     0.032245140 
C6 C     0.842954720    -0.079358020     0.022146300 
C7 C     0.796359850    -0.075817770    -0.048672570 
C8 C     1.001024050    -0.285481210    -0.058860130 
C9 C     0.954414500    -0.280607560    -0.129571880 
C10 C     1.159476830    -0.493191900    -0.139888740 
C11 C     1.112672950    -0.485637010    -0.210400370 
C12 C     1.318128830    -0.701633750    -0.220895680 
C13 C     1.270433440    -0.688194350    -0.290991570 
C14 C     1.478001640    -0.907810610    -0.300673680 
C15 C     1.394358280    -0.703156070    -0.383276210 
C16 C     1.296711940    -0.537945760    -0.481440980 
C17 C     1.249979270    -0.572876960    -0.548155230 
C18 C     1.201215250    -0.419356090    -0.584307820 
C19 C     1.198587290    -0.226016550    -0.553573560 
C20 C     1.245159300    -0.190435590    -0.486792210 
C21 C     1.293785010    -0.343019580    -0.450763680 
C22 C     1.106505140    -0.095698490    -0.651616650 
N1 N     1.436677150    -0.893032310    -0.366471720 
N2 N     1.344335300    -0.701812180    -0.448636470 
O1 O     1.403351240    -0.554434040    -0.343372890 
O2 O     1.153240380    -0.064238360    -0.583977530 
H1 H     0.360530910     0.528464700     0.244545540 
H2 H     0.206127320     0.753671120     0.179525400 
H3 H     0.241172670     0.482781790     0.163411380 
H4 H     0.643730840     0.112110950     0.199971320 
H5 H     0.608841780     0.381081200     0.215899130 
H6 H     0.399695260     0.278963390     0.081271870 
H7 H     0.365319510     0.547588140     0.097257950 
H8 H     0.800915710    -0.091284970     0.118982760 
H9 H     0.766890290     0.177069780     0.135092150 
H10 H     0.556161330     0.077346290     0.000232270 
H11 H     0.523745330     0.344191050     0.016465870 
H12 H     0.957488420    -0.295528710     0.037760690 
H13 H     0.925847380    -0.029272560     0.054291050 
H14 H     0.712107160    -0.123952710    -0.080883340 
H15 H     0.683056000     0.139876150    -0.064138560 
H16 H     1.113717680    -0.501313190    -0.043716090 
H17 H     1.086012220    -0.238487090    -0.026401710 
H18 H     0.867536940    -0.324860660    -0.162135090 
H19 H     0.843474840    -0.065472590    -0.144486960 
H20 H     1.269445870    -0.708606670    -0.125544320 
H21 H     1.247495690    -0.450761750    -0.106912080 
H22 H     1.022240530    -0.524493380    -0.243557560 
H23 H     1.005203480    -0.271335690    -0.224416850 
H24 H     1.424176380    -0.916543830    -0.207834050 
H25 H     1.410169380    -0.665479160    -0.187068530 
H26 H     1.176425920    -0.721128130    -0.325484840 
H27 H     1.170372400    -0.476809870    -0.303453170 
H28 H     1.580793360    -1.123441240    -0.290210620 
H29 H     1.571218510    -0.874382910    -0.266762010 
H30 H     1.426025620    -1.011128220    -0.400439400 
H31 H     1.341635560    -0.833922820    -0.477029930 
H32 H     1.251380360    -0.722664030    -0.572754280 
H33 H     1.166057540    -0.453195170    -0.635881710 
H34 H     1.242567180    -0.039603660    -0.463522380 
H35 H     1.329586400    -0.314118880    -0.399244490 
H36 H     1.076331940     0.049146950    -0.665849340 
H37 H     1.244118610    -0.313620970    -0.661173830 
H38 H     0.961372360    -0.038030140    -0.680632570 

#END
data_-161.473_gel26b_14_2564 
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 5.4705
_cell_length_b 59.8128
_cell_length_c 9.4402
_cell_angle_alpha 90.0
_cell_angle_beta 46.4487
_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    -0.309376480     0.624137480     1.201071880 
C2 C    -0.316159600     0.599620340     1.157718270 
C3 C    -0.199622240     0.583559190     1.227551190 
C4 C    -0.204689730     0.558990020     1.184516610 
C5 C    -0.088598160     0.542940900     1.254599000 
C6 C    -0.091563850     0.518386580     1.210327100 
C7 C     0.023381860     0.502320780     1.280967630 
C8 C     0.023749620     0.477792310     1.234793640 
C9 C     0.136329080     0.461699950     1.306637420 
C10 C     0.141160140     0.437208060     1.257951690 
C11 C     0.249289240     0.421082460     1.332112760 
C12 C     0.259478970     0.396635320     1.280478180 
C13 C     0.358699290     0.380500110     1.359408050 
C14 C     0.370973680     0.356167550     1.304477980 
C15 C     0.206760540     0.332333200     1.570631510 
C16 C     0.145182490     0.307460960     1.808177920 
C17 C     0.325728240     0.294584400     1.833299930 
C18 C     0.163850620     0.282956990     2.006268230 
C19 C    -0.186145250     0.284120120     2.158432920 
C20 C    -0.367572340     0.297012010     2.133759970 
C21 C    -0.207022050     0.308575520     1.961828090 
C22 C    -0.196732200     0.260102840     2.364180920 
N1 N     0.454045330     0.340392760     1.383388310 
N2 N     0.328994590     0.318668220     1.628558080 
O1 O    -0.090859070     0.336830150     1.672532250 
O2 O    -0.371671150     0.273445000     2.334163470 
H1 H    -0.393474450     0.635227550     1.149646190 
H2 H    -0.473965450     0.626917980     1.358166000 
H3 H    -0.054497040     0.629257850     1.129752540 
H4 H    -0.155978140     0.597407470     1.000123440 
H5 H    -0.572270490     0.595074800     1.226953270 
H6 H     0.056531870     0.588116450     1.158561390 
H7 H    -0.360118790     0.585740880     1.385339660 
H8 H    -0.043846170     0.556823830     1.026696870 
H9 H    -0.460724290     0.554447770     1.253284330 
H10 H     0.166879250     0.547541040     1.186492390 
H11 H    -0.250344130     0.545031840     1.412564470 
H12 H     0.071006380     0.516298160     1.052275040 
H13 H    -0.346747670     0.513795220     1.277899320 
H14 H     0.277654770     0.507005130     1.214467170 
H15 H    -0.140666890     0.504292550     1.439243790 
H16 H     0.189316310     0.475815630     1.076379870 
H17 H    -0.229988630     0.473130640     1.300320450 
H18 H     0.388753670     0.466485050     1.242650580 
H19 H    -0.031325210     0.463516700     1.465328330 
H20 H     0.311364450     0.435367330     1.099064600 
H21 H    -0.110357450     0.432470110     1.320331610 
H22 H     0.499025860     0.425959480     1.271841600 
H23 H     0.076319750     0.422701540     1.491269080 
H24 H     0.436593890     0.394952010     1.121001710 
H25 H     0.011209000     0.391859490     1.338222320 
H26 H     0.605243650     0.385205980     1.304447570 
H27 H     0.176562800     0.381633310     1.518915030 
H28 H     0.556611440     0.354171130     1.145554340 
H29 H     0.125300790     0.351369800     1.360188070 
H30 H     0.697936680     0.336616200     1.303115090 
H31 H     0.580126110     0.316157840     1.531854880 
H32 H     0.598442580     0.293524120     1.716070420 
H33 H     0.313643660     0.273180830     2.019403080 
H34 H    -0.639268820     0.297772350     2.253081080 
H35 H    -0.349299500     0.318471260     1.944188000 
H36 H    -0.388484750     0.253173760     2.510647670 
H37 H    -0.060174860     0.246400830     2.258046240 
H38 H    -0.018814270     0.270065240     2.355769000 

#END
data_-161.306_gel26b_15_56836 
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 66.9239
_cell_length_b 4.9806
_cell_length_c 14.3447
_cell_angle_alpha 90.0
_cell_angle_beta 72.2339
_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     0.139930190     0.962327090     0.862401630 
C2 C     0.161174120     1.091201600     0.853660250 
C3 C     0.179174510     0.971908310     0.770805740 
C4 C     0.200508590     1.098969620     0.761546510 
C5 C     0.218491350     0.979876250     0.678622480 
C6 C     0.239843590     1.105794770     0.669833400 
C7 C     0.257822580     0.987451380     0.586711150 
C8 C     0.279202370     1.111499230     0.578634460 
C9 C     0.297167200     0.994634730     0.495083700 
C10 C     0.318582570     1.116141830     0.487942500 
C11 C     0.336506500     1.001955040     0.403577420 
C12 C     0.357964750     1.120353210     0.397520040 
C13 C     0.375757540     1.011218990     0.311529570 
C14 C     0.397116540     1.129853730     0.307341690 
C15 C     0.418298400     1.157692540     0.134314840 
C16 C     0.442374070     1.109449750    -0.037671170 
C17 C     0.458383530     0.951618770    -0.097919580 
C18 C     0.467425480     1.011798100    -0.196727780 
C19 C     0.460419840     1.234155790    -0.236944570 
C20 C     0.444382510     1.392448460    -0.176819250 
C21 C     0.435381390     1.332969870    -0.078543040 
C22 C     0.484468630     1.157934080    -0.395715600 
N1 N     0.414216670     1.035758790     0.224223330 
N2 N     0.434121170     1.034153600     0.061394470 
O1 O     0.408827600     1.357339470     0.121975230 
O2 O     0.468104320     1.312549110    -0.332617870 
H1 H     0.127375090     1.051026160     0.922083560 
H2 H     0.135780190     0.987918600     0.794815400 
H3 H     0.140211510     0.746625920     0.876475390 
H4 H     0.164707730     1.068481280     0.923021350 
H5 H     0.160321340     1.307862560     0.841875620 
H6 H     0.180021070     0.754958770     0.782452410 
H7 H     0.175664250     0.994894720     0.701326630 
H8 H     0.204012470     1.075604850     0.831017340 
H9 H     0.199648340     1.315930690     0.750039550 
H10 H     0.219295830     0.762724270     0.689893370 
H11 H     0.215036260     1.004293830     0.609082670 
H12 H     0.243314110     1.080609070     0.739310570 
H13 H     0.239030790     1.323064320     0.658857650 
H14 H     0.258545560     0.769883050     0.597304040 
H15 H     0.254425830     1.014350940     0.517139650 
H16 H     0.282636380     1.083200400     0.648063300 
H17 H     0.278458230     1.329258600     0.568589190 
H18 H     0.297791280     0.776486650     0.504564620 
H19 H     0.293832540     1.025369360     0.425552570 
H20 H     0.321994390     1.083082560     0.557189590 
H21 H     0.317915410     1.334546300     0.479376160 
H22 H     0.337036540     0.783105260     0.411324330 
H23 H     0.333233780     1.038356520     0.334239840 
H24 H     0.361385560     1.080262340     0.466359450 
H25 H     0.357343650     1.339470710     0.391245320 
H26 H     0.376439220     0.791772030     0.316259520 
H27 H     0.372715490     1.058278160     0.242587240 
H28 H     0.401020360     1.081805230     0.374155020 
H29 H     0.396547200     1.348120500     0.301895540 
H30 H     0.422103040     0.869786230     0.232237790 
H31 H     0.440817630     0.870103610     0.080206420 
H32 H     0.463998240     0.777787880    -0.067621000 
H33 H     0.479791410     0.884080610    -0.240697780 
H34 H     0.439088020     1.564564990    -0.208976300 
H35 H     0.423019690     1.456435120    -0.032745000 
H36 H     0.488259940     1.253809850    -0.467205610 
H37 H     0.498452370     1.156530040    -0.371100290 
H38 H     0.479492590     0.950553070    -0.401628210 

#END
data_-161.170_gel26b_14_5164 
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 28.6378
_cell_length_b 9.5595
_cell_length_c 9.1319
_cell_angle_alpha 90.0
_cell_angle_beta 102.7527
_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     0.733677240     0.977295450     0.539921990 
C2 C     0.684414830     1.014951010     0.444127280 
C3 C     0.657416310     0.888559610     0.364021850 
C4 C     0.608129860     0.925100040     0.267593930 
C5 C     0.581132920     0.798675140     0.187708410 
C6 C     0.531982910     0.835454970     0.090494830 
C7 C     0.504894950     0.709009960     0.010984850 
C8 C     0.455965640     0.746111630    -0.087455340 
C9 C     0.428705310     0.619578360    -0.166151580 
C10 C     0.380075280     0.657077520    -0.266220490 
C11 C     0.352523980     0.530330680    -0.343315110 
C12 C     0.304254600     0.568242500    -0.445324200 
C13 C     0.276234310     0.440959440    -0.518980330 
C14 C     0.228311060     0.481148250    -0.621781200 
C15 C     0.171318780     0.290840380    -0.612476930 
C16 C     0.117291580     0.080780970    -0.642177730 
C17 C     0.099963100    -0.030648910    -0.737483270 
C18 C     0.068035620    -0.127759790    -0.701178680 
C19 C     0.052880520    -0.114177900    -0.566882670 
C20 C     0.070195340    -0.002774000    -0.471181520 
C21 C     0.101926040     0.093921180    -0.507143040 
C22 C     0.003164620    -0.316547570    -0.614157090 
N1 N     0.200242630     0.361424220    -0.689405020 
N2 N     0.149457780     0.174131770    -0.687643450 
O1 O     0.165606040     0.330174100    -0.490453790 
O2 O     0.021719390    -0.202798700    -0.519678200 
H1 H     0.752162560     1.069351810     0.595707190 
H2 H     0.730591390     0.901297720     0.626911380 
H3 H     0.756477190     0.930891870     0.471216240 
H4 H     0.688430990     1.093637870     0.360413230 
H5 H     0.662719350     1.064122910     0.514917660 
H6 H     0.679136090     0.839133310     0.293306640 
H7 H     0.653321610     0.809820020     0.447749070 
H8 H     0.612272390     1.003715150     0.183816490 
H9 H     0.586447020     0.974691670     0.338288580 
H10 H     0.602901840     0.748715600     0.117509500 
H11 H     0.576795670     0.720310380     0.271500240 
H12 H     0.536365000     0.913525420     0.006455700 
H13 H     0.510248330     0.885801150     0.160542390 
H14 H     0.526767010     0.658070630    -0.058259900 
H15 H     0.500207240     0.631366010     0.095069220 
H16 H     0.460716680     0.823189450    -0.172026080 
H17 H     0.434169550     0.797757630    -0.018461760 
H18 H     0.450678310     0.567079170    -0.234027510 
H19 H     0.423532510     0.543142360    -0.081506640 
H20 H     0.385322760     0.732523590    -0.351733720 
H21 H     0.358248350     0.710734700    -0.198730600 
H22 H     0.374533950     0.475487700    -0.409389540 
H23 H     0.346698680     0.455826750    -0.257757460 
H24 H     0.310150640     0.641130530    -0.532386210 
H25 H     0.282530480     0.624896300    -0.379769570 
H26 H     0.297721540     0.382374350    -0.583778150 
H27 H     0.268995340     0.370181950    -0.432462400 
H28 H     0.233983340     0.549481990    -0.712377930 
H29 H     0.206677380     0.538576050    -0.557437360 
H30 H     0.204724210     0.326024380    -0.789143460 
H31 H     0.156907930     0.151749170    -0.787862140 
H32 H     0.111456260    -0.042577050    -0.842445560 
H33 H     0.055517050    -0.212443360    -0.778336860 
H34 H     0.058138650     0.006561920    -0.367232840 
H35 H     0.115066220     0.179559860    -0.432565390 
H36 H    -0.020632760    -0.372726070    -0.556761610 
H37 H    -0.017247630    -0.280519100    -0.723659570 
H38 H     0.031677560    -0.387148150    -0.631137820 

#END
data_-161.058_gel26b_19_1983 
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 6.7527
_cell_length_b 59.4898
_cell_length_c 5.7121
_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     0.602751360     0.626588380    -0.695948130 
C2 C     0.533360720     0.650876710    -0.727713040 
C3 C     0.605019260     0.666551810    -0.532818840 
C4 C     0.536066770     0.690883390    -0.562584490 
C5 C     0.607974530     0.706550370    -0.367868170 
C6 C     0.537842370     0.730848470    -0.396913450 
C7 C     0.610258160     0.746541700    -0.202702420 
C8 C     0.538323120     0.770784700    -0.230545230 
C9 C     0.611850440     0.786524510    -0.037331910 
C10 C     0.537541590     0.810691940    -0.063530320 
C11 C     0.613233490     0.826502940     0.127849140 
C12 C     0.536148530     0.850579130     0.103692730 
C13 C     0.616365540     0.866476520     0.291489990 
C14 C     0.535930110     0.890409630     0.265851780 
C15 C     0.794159750     0.916487980     0.400830600 
C16 C     1.028124320     0.942847640     0.604946080 
C17 C     1.058528510     0.954741920     0.812449880 
C18 C     1.225409620     0.968165580     0.844693170 
C19 C     1.365955570     0.969847360     0.666719760 
C20 C     1.335988310     0.957945280     0.458825640 
C21 C     1.170084320     0.944598430     0.426431110 
C22 C     1.569779210     0.994892230     0.886102970 
N1 N     0.615180860     0.906043710     0.437987030 
N2 N     0.855295260     0.929679340     0.587081800 
O1 O     0.886587220     0.914282010     0.218597570 
O2 O     1.534850550     0.982475700     0.678555550 
H1 H     0.549473570     0.615770680    -0.837258420 
H2 H     0.764557660     0.625573970    -0.693765310 
H3 H     0.548887150     0.619604980    -0.530536940 
H4 H     0.371156000     0.651348600    -0.735043450 
H5 H     0.585344260     0.657283600    -0.896878340 
H6 H     0.553318090     0.660134190    -0.363370400 
H7 H     0.767384560     0.666113870    -0.525565550 
H8 H     0.373707740     0.691303630    -0.569551790 
H9 H     0.587546870     0.697284230    -0.732158370 
H10 H     0.557226130     0.700098380    -0.198192160 
H11 H     0.770357510     0.706211320    -0.361551390 
H12 H     0.375430890     0.731179660    -0.402536820 
H13 H     0.588035470     0.737287310    -0.566864380 
H14 H     0.561249900     0.740020830    -0.032592590 
H15 H     0.772698560     0.746336840    -0.198165100 
H16 H     0.375845870     0.770984720    -0.233775780 
H17 H     0.586325420     0.777274950    -0.401161440 
H18 H     0.565541360     0.779926570     0.133515950 
H19 H     0.774329630     0.786497890    -0.035678750 
H20 H     0.375025200     0.810726280    -0.062940080 
H21 H     0.582200810     0.817229460    -0.235198120 
H22 H     0.570868190     0.819847730     0.299874490 
H23 H     0.775636630     0.826707590     0.125076940 
H24 H     0.373661590     0.850412240     0.110130340 
H25 H     0.575945940     0.857112130    -0.069604740 
H26 H     0.579424330     0.860037400     0.466051790 
H27 H     0.778015870     0.867222410     0.280735360 
H28 H     0.374440920     0.890507000     0.281206770 
H29 H     0.573681030     0.896938930     0.092958340 
H30 H     0.542902200     0.907958650     0.590703630 
H31 H     0.766671480     0.930206420     0.728870100 
H32 H     0.950346830     0.953591730     0.952614080 
H33 H     1.242974490     0.977090650     1.008250540 
H34 H     1.446281180     0.959399010     0.322005710 
H35 H     1.148270370     0.935486880     0.265315010 
H36 H     1.709368700     1.003675280     0.859123150 
H37 H     1.452147840     1.007223250     0.917959300 
H38 H     1.583092820     0.983848340     1.038970410 

#END
data_-161.022_gel26b_2_17290 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 5.585
_cell_length_b 22.4233
_cell_length_c 24.0581
_cell_angle_alpha 147.0096
_cell_angle_beta 105.2397
_cell_angle_gamma 98.5367
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -0.805678850     0.560441100     0.291622740 
C2 C    -0.544413040     0.589111370     0.370016710 
C3 C    -0.579909460     0.453437040     0.265371720 
C4 C    -0.319236650     0.481028630     0.342694710 
C5 C    -0.355172680     0.345275710     0.237997640 
C6 C    -0.092844140     0.373364000     0.315534350 
C7 C    -0.129407670     0.237458310     0.210848310 
C8 C     0.135420200     0.266271420     0.288660700 
C9 C     0.097410390     0.130002380     0.183936530 
C10 C     0.365506440     0.159749970     0.262080460 
C11 C     0.324554500     0.022753280     0.157208620 
C12 C     0.596446760     0.053551680     0.235682780 
C13 C     0.548948990    -0.084993440     0.130311520 
C14 C     0.825509410    -0.051392690     0.210935830 
C15 C     0.555077780    -0.291707640     0.054219120 
C16 C     0.320628780    -0.543486610    -0.121579360 
C17 C     0.328190150    -0.654162810    -0.216233340 
C18 C     0.136699350    -0.784845020    -0.296742820 
C19 C    -0.067824470    -0.806517990    -0.283186650 
C20 C    -0.076112090    -0.695956810    -0.188580480 
C21 C     0.114271220    -0.565908720    -0.108390200 
C22 C    -0.262514900    -1.043913290    -0.452662320 
N1 N     0.779119750    -0.183103580     0.112830590 
N2 N     0.522250810    -0.414843310    -0.044352890 
O1 O     0.405300190    -0.277593270     0.088680910 
O2 O    -0.265900310    -0.929836380    -0.356396600 
H1 H    -0.774496760     0.659036300     0.368819070 
H2 H    -1.073935370     0.460102100     0.209584260 
H3 H    -0.772593320     0.538773030     0.234525580 
H4 H    -0.278414000     0.692245050     0.453924740 
H5 H    -0.577662170     0.614003990     0.429040100 
H6 H    -0.547202790     0.428273070     0.206067350 
H7 H    -0.845957990     0.350195690     0.181461090 
H8 H    -0.053325810     0.584176860     0.426450720 
H9 H    -0.351677620     0.506396030     0.402144530 
H10 H    -0.324232540     0.319470430     0.178077920 
H11 H    -0.620585090     0.242270830     0.154624660 
H12 H     0.172516820     0.476131960     0.398596900 
H13 H    -0.122944700     0.399633330     0.375836680 
H14 H    -0.101732170     0.210481500     0.149788970 
H15 H    -0.393974310     0.134946610     0.128419350 
H16 H     0.399922700     0.368315230     0.370508500 
H17 H     0.109225140     0.294099480     0.350408620 
H18 H     0.120197160     0.101151130     0.121116410 
H19 H    -0.165934350     0.028366700     0.103016410 
H20 H     0.628795710     0.260548700     0.342009680 
H21 H     0.345085530     0.190004460     0.326012650 
H22 H     0.340525080    -0.008934830     0.091838550 
H23 H     0.063049170    -0.077407840     0.078618750 
H24 H     0.858050520     0.152332180     0.312695820 
H25 H     0.583988000     0.087453090     0.302747340 
H26 H     0.557258600    -0.121253500     0.061379100 
H27 H     0.292507370    -0.182247500     0.056380520 
H28 H     1.086447780     0.043093370     0.283731120 
H29 H     0.816312490    -0.016368030     0.278821740 
H30 H     0.896653910    -0.198224350     0.081477790 
H31 H     0.658661420    -0.414134810    -0.064381350 
H32 H     0.486258750    -0.638843080    -0.227932240 
H33 H     0.150304110    -0.867609760    -0.368745070 
H34 H    -0.236008490    -0.714190600    -0.179069700 
H35 H     0.106243710    -0.481224720    -0.035629160 
H36 H    -0.433547360    -1.130071290    -0.498501990 
H37 H     0.000070750    -0.996331510    -0.394008990 
H38 H    -0.361798740    -1.098157070    -0.542169310 

#END
data_-160.978_gel26b_2_2158 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 31.3002
_cell_length_b 9.4887
_cell_length_c 7.3985
_cell_angle_alpha 148.5565
_cell_angle_beta 89.4199
_cell_angle_gamma 90.1694
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.246707940     0.987222890     0.533222720 
C2 C     0.289411060     0.843283860     0.408881690 
C3 C     0.324847930     0.932637020     0.376437870 
C4 C     0.367685800     0.789445400     0.251465880 
C5 C     0.403111330     0.879126120     0.219538320 
C6 C     0.445865910     0.734508680     0.092302910 
C7 C     0.481345470     0.824756560     0.061455830 
C8 C     0.523967470     0.677980140    -0.069296960 
C9 C     0.559547120     0.769503230    -0.097832240 
C10 C     0.601990150     0.619897470    -0.233250440 
C11 C     0.637730460     0.713955110    -0.257324300 
C12 C     0.679961270     0.561060630    -0.398269330 
C13 C     0.715925740     0.660568930    -0.413084690 
C14 C     0.757758360     0.503285940    -0.558167910 
C15 C     0.817022700     0.814836540    -0.274018280 
C16 C     0.877494850     1.101828820    -0.072023800 
C17 C     0.904880920     1.144846560    -0.171934430 
C18 C     0.935645590     1.346110760     0.051264380 
C19 C     0.939375910     1.509175610     0.382271300 
C20 C     0.911980390     1.466710060     0.483127130 
C21 C     0.881385550     1.266586160     0.261451890 
C22 C     0.996796890     1.760245480     0.529073300 
N1 N     0.792882260     0.600093760    -0.564264720 
N2 N     0.847322570     0.893868290    -0.314012880 
O1 O     0.811952830     0.920519280    -0.010515190 
O2 O     0.968297550     1.712180220     0.622638030 
H1 H     0.221998900     0.919604630     0.553875690 
H2 H     0.249702880     1.206048590     0.788182380 
H3 H     0.235402510     0.948943520     0.354310570 
H4 H     0.285284560     0.624347830     0.157318000 
H5 H     0.299505360     0.879705480     0.588026740 
H6 H     0.314747790     0.896648890     0.197574810 
H7 H     0.329041160     1.151712640     0.628254080 
H8 H     0.363465470     0.570447570    -0.000494980 
H9 H     0.377745370     0.825154830     0.430083900 
H10 H     0.392980090     0.844507950     0.042082330 
H11 H     0.407470990     1.097918660     0.471829330 
H12 H     0.441504830     0.515778180    -0.160458230 
H13 H     0.455950320     0.768375400     0.269076270 
H14 H     0.471146360     0.792654600    -0.113432910 
H15 H     0.485921570     1.043147450     0.314764070 
H16 H     0.519407830     0.459709410    -0.323478970 
H17 H     0.534068830     0.708733020     0.104370250 
H18 H     0.549299780     0.741254330    -0.268822850 
H19 H     0.564399010     0.987246630     0.157095790 
H20 H     0.597197300     0.402364070    -0.489660640 
H21 H     0.612058360     0.645954810    -0.064255250 
H22 H     0.627518140     0.691240680    -0.422761530 
H23 H     0.642922480     0.930605580    -0.000063500 
H24 H     0.674912060     0.344673640    -0.658024310 
H25 H     0.689842140     0.580419290    -0.235899680 
H26 H     0.706331790     0.645006050    -0.571886810 
H27 H     0.721944910     0.874182930    -0.152764830 
H28 H     0.753415010     0.288813610    -0.822346840 
H29 H     0.767579230     0.519961910    -0.399270860 
H30 H     0.797410070     0.518331270    -0.777027040 
H31 H     0.848542100     0.791583230    -0.543638780 
H32 H     0.902344210     1.019440020    -0.428924920 
H33 H     0.956197940     1.372325080    -0.036918360 
H34 H     0.915216230     1.594762790     0.740899700 
H35 H     0.860406870     1.235345280     0.341673660 
H36 H     1.016857360     1.926735290     0.753264600 
H37 H     1.016985780     1.582745120     0.305939790 
H38 H     0.979653750     1.818236500     0.469732050 

#END
data_-160.836_gel26b_15_46455 
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 75.0329
_cell_length_b 5.0465
_cell_length_c 14.9526
_cell_angle_alpha 90.0
_cell_angle_beta 53.9734
_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     0.379532040     0.135007270    -0.426354390 
C2 C     0.356950390     0.000698390    -0.363431890 
C3 C     0.339850930     0.133073960    -0.252400040 
C4 C     0.317211990    -0.000080590    -0.188640450 
C5 C     0.300118090     0.132564160    -0.077722800 
C6 C     0.277523330    -0.001799020    -0.013670820 
C7 C     0.260399840     0.131284200     0.097080240 
C8 C     0.237875940    -0.004886670     0.161606540 
C9 C     0.220697740     0.129207600     0.272003460 
C10 C     0.198269770    -0.009318740     0.337168940 
C11 C     0.181003480     0.126809250     0.446862710 
C12 C     0.158689910    -0.014428150     0.512812740 
C13 C     0.141298990     0.126126670     0.620956290 
C14 C     0.119174550    -0.019641190     0.686264960 
C15 C     0.089859940     0.314253030     0.785881810 
C16 C     0.060249230     0.639849390     0.914825930 
C17 C     0.047293690     0.729633590     1.023977690 
C18 C     0.031949180     0.932250400     1.057874950 
C19 C     0.029373020     1.049121950     0.981629210 
C20 C     0.042332440     0.959774230     0.872265560 
C21 C     0.057590490     0.758233820     0.838432850 
C22 C     0.001352960     1.343474750     1.115563870 
N1 N     0.102127460     0.114888200     0.787825710 
N2 N     0.075352230     0.434073590     0.887668290 
O1 O     0.091700670     0.374395790     0.701722900 
O2 O     0.014874480     1.248705390     1.005362810 
H1 H     0.391414410     0.036544710    -0.505192400 
H2 H     0.378439030     0.342487800    -0.443951130 
H3 H     0.386216380     0.131743410    -0.378116210 
H4 H     0.358600910    -0.208193690    -0.349272830 
H5 H     0.350868860     0.001181910    -0.414532540 
H6 H     0.345937920     0.133058230    -0.201249430 
H7 H     0.338165710     0.342094240    -0.266508340 
H8 H     0.318912970    -0.208972130    -0.174474130 
H9 H     0.311144750    -0.000362150    -0.239864500 
H10 H     0.306225240     0.133883070    -0.026674280 
H11 H     0.298340970     0.341151080    -0.091909700 
H12 H     0.279305120    -0.210180870     0.000759520 
H13 H     0.271437410    -0.003894060    -0.064807070 
H14 H     0.266549640     0.135055730     0.147932050 
H15 H     0.258500050     0.339157050     0.082590680 
H16 H     0.239774620    -0.212366300     0.176581270 
H17 H     0.231771230    -0.010056950     0.110573520 
H18 H     0.226884410     0.136761140     0.322658550 
H19 H     0.218637980     0.335911950     0.256918250 
H20 H     0.200311700    -0.215338620     0.353129640 
H21 H     0.192166900    -0.019147880     0.286192040 
H22 H     0.187189760     0.139840120     0.497423480 
H23 H     0.178741070     0.331610910     0.430757880 
H24 H     0.160899020    -0.218177710     0.530420900 
H25 H     0.152661460    -0.030957960     0.461673400 
H26 H     0.147193530     0.146560340     0.672563820 
H27 H     0.138558240     0.326532610     0.603420380 
H28 H     0.121070970    -0.219560620     0.707899500 
H29 H     0.113173920    -0.038627870     0.635465290 
H30 H     0.100454190     0.070958250     0.858041320 
H31 H     0.075290380     0.367832470     0.951413600 
H32 H     0.049120990     0.640513340     1.084274390 
H33 H     0.022257090     0.995563270     1.143260270 
H34 H     0.040166840     1.052233430     0.813886420 
H35 H     0.067506510     0.690613760     0.753857410 
H36 H    -0.008844220     1.498687490     1.116597230 
H37 H    -0.009288850     1.186645700     1.173624000 
H38 H     0.011187720     1.427255090     1.141167730 

#END
data_-160.831_gel26b_62_135058 
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 8.6783
_cell_length_b 107.6109
_cell_length_c 4.9119
_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     0.349356930     0.012702280     0.053406090 
C2 C     0.217941400     0.020029650    -0.078193060 
C3 C     0.190332780     0.032667270     0.056264170 
C4 C     0.058872180     0.040064400    -0.073411480 
C5 C     0.031470420     0.052703850     0.060859600 
C6 C    -0.100695390     0.060059710    -0.067754790 
C7 C    -0.127820130     0.072718380     0.065797030 
C8 C    -0.261057990     0.080011350    -0.061068650 
C9 C    -0.287546050     0.092709440     0.071073170 
C10 C    -0.422189610     0.099919440    -0.053410790 
C11 C    -0.447375630     0.112688040     0.076187730 
C12 C    -0.583662830     0.119801990    -0.045369910 
C13 C    -0.605919410     0.132696160     0.079454590 
C14 C    -0.743731640     0.139608150    -0.042695710 
C15 C    -0.683159360     0.161921200    -0.039816720 
C16 C    -0.645299290     0.184787810     0.039423770 
C17 C    -0.686923280     0.194647980     0.208703830 
C18 C    -0.630496650     0.206612500     0.165973960 
C19 C    -0.530129410     0.208870670    -0.050103290 
C20 C    -0.488159600     0.199014980    -0.219822380 
C21 C    -0.544220120     0.187113550    -0.177702590 
C22 C    -0.508335060     0.230431050     0.054850450 
N1 N    -0.764309760     0.152071870     0.066446530 
N2 N    -0.707756880     0.172990940     0.097286480 
O1 O    -0.599430350     0.160814260    -0.238051500 
O2 O    -0.467731550     0.220194700    -0.111686590 
H1 H     0.366508500     0.003725870    -0.046305030 
H2 H     0.458000040     0.017835960     0.041362600 
H3 H     0.325813390     0.010930360     0.268813940 
H4 H     0.111469340     0.014558810    -0.069317320 
H5 H     0.242698440     0.021424890    -0.294942210 
H6 H     0.165774280     0.031282290     0.273333220 
H7 H     0.296791260     0.038156540     0.047139180 
H8 H    -0.047541830     0.034573080    -0.063901220 
H9 H     0.083359330     0.041432450    -0.290517730 
H10 H     0.007637390     0.051341010     0.278213060 
H11 H     0.137657950     0.058218460     0.050291060 
H12 H    -0.206931980     0.054553470    -0.056399040 
H13 H    -0.077151340     0.061393010    -0.285283990 
H14 H    -0.150307300     0.071393710     0.283716080 
H15 H    -0.021934980     0.078259210     0.052715780 
H16 H    -0.367061160     0.074491070    -0.046549010 
H17 H    -0.239068630     0.081279470    -0.279285570 
H18 H    -0.308060440     0.091457780     0.289810790 
H19 H    -0.182042410     0.098274330     0.054095720 
H20 H    -0.527937770     0.094397520    -0.034036580 
H21 H    -0.402455280     0.101074250    -0.272581380 
H22 H    -0.465218880     0.111568280     0.295988700 
H23 H    -0.342390580     0.118267360     0.053430930 
H24 H    -0.689154530     0.114302730    -0.018803490 
H25 H    -0.566930660     0.120759160    -0.265718170 
H26 H    -0.621248610     0.131899290     0.300431100 
H27 H    -0.502724690     0.138332980     0.045806580 
H28 H    -0.850307470     0.134417630    -0.007748150 
H29 H    -0.728349900     0.140501280    -0.262353210 
H30 H    -0.831356310     0.153204310     0.231683940 
H31 H    -0.779396970     0.172778670     0.258623570 
H32 H    -0.764979260     0.193028840     0.377829920 
H33 H    -0.665812220     0.213975500     0.302098430 
H34 H    -0.410131410     0.200895690    -0.386893580 
H35 H    -0.511190020     0.179571200    -0.309884900 
H36 H    -0.447552150     0.238418930    -0.028628070 
H37 H    -0.632690100     0.232214850     0.049500920 
H38 H    -0.472277110     0.229005080     0.266493890 

#END
data_-160.688_gel26b_15_45111 
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 75.8635
_cell_length_b 9.1762
_cell_length_c 8.9755
_cell_angle_alpha 90.0
_cell_angle_beta 60.6679
_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     0.374637830     0.951093210     0.351635140 
C2 C     0.355624640     0.862282890     0.464673130 
C3 C     0.339670120     0.948769140     0.617019320 
C4 C     0.320603230     0.860854900     0.731181790 
C5 C     0.304649140     0.947434880     0.883322050 
C6 C     0.285642630     0.859144410     0.998072010 
C7 C     0.269652700     0.945799050     1.149908730 
C8 C     0.250741640     0.856975660     1.265592870 
C9 C     0.234682480     0.943848580     1.416774030 
C10 C     0.215899580     0.854349820     1.533707100 
C11 C     0.199722260     0.941716500     1.683582000 
C12 C     0.181091480     0.851474460     1.802026020 
C13 C     0.164720660     0.940058630     1.949023420 
C14 C     0.146310020     0.847571050     2.067046330 
C15 C     0.116279490     1.004852960     2.178103480 
C16 C     0.086540680     1.172163570     2.334459910 
C17 C     0.074980640     1.245046520     2.488950750 
C18 C     0.058652370     1.332469450     2.516111470 
C19 C     0.053644440     1.348169440     2.386799440 
C20 C     0.065199840     1.275413120     2.231934720 
C21 C     0.081434760     1.188384280     2.204744270 
C22 C     0.025851720     1.505461440     2.554437720 
N1 N     0.130225860     0.930447550     2.204831150 
N2 N     0.102784440     1.086001640     2.317875440 
O1 O     0.115984240     0.997157940     2.043559230 
O2 O     0.037989690     1.430746300     2.398941170 
H1 H     0.385768830     0.886777840     0.244031010 
H2 H     0.371002420     1.047129540     0.299539910 
H3 H     0.381842460     0.989292070     0.424384070 
H4 H     0.359750980     0.765025270     0.511717960 
H5 H     0.348978800     0.822550720     0.387907760 
H6 H     0.346316800     0.988781730     0.693801970 
H7 H     0.335510100     1.046040190     0.570037580 
H8 H     0.324777810     0.763716110     0.778234150 
H9 H     0.313977480     0.820695620     0.654323710 
H10 H     0.311298550     0.988132770     0.959784550 
H11 H     0.300404990     1.044231980     0.836281330 
H12 H     0.289892960     0.762588750     1.045454450 
H13 H     0.279020630     0.818047690     0.921571550 
H14 H     0.276312330     0.987764450     1.225768740 
H15 H     0.265294500     1.041792060     1.102507630 
H16 H     0.255102390     0.761432100     1.313677630 
H17 H     0.244137570     0.814295280     1.189629090 
H18 H     0.241332060     0.987757300     1.491867830 
H19 H     0.230174890     1.038567230     1.368629020 
H20 H     0.220396960     0.760393170     1.583089930 
H21 H     0.209349910     0.809287880     1.458403050 
H22 H     0.206309100     0.988414660     1.757857280 
H23 H     0.195025750     1.034466260     1.634146790 
H24 H     0.185750180     0.759917700     1.853603440 
H25 H     0.174684520     0.803026210     1.727299100 
H26 H     0.170964240     0.990464780     2.023983820 
H27 H     0.159593180     1.028709550     1.898003270 
H28 H     0.150694130     0.759347330     2.124247590 
H29 H     0.139962460     0.798086610     1.993133440 
H30 H     0.130271670     0.939792950     2.316322110 
H31 H     0.104508600     1.084141840     2.422249600 
H32 H     0.078704040     1.233865110     2.590819460 
H33 H     0.050108340     1.386902990     2.637788880 
H34 H     0.061148200     1.288535940     2.132569970 
H35 H     0.090253510     1.132642540     2.084805790 
H36 H     0.014419210     1.563220260     2.537515450 
H37 H     0.018396990     1.429667100     2.662122140 
H38 H     0.034722790     1.584361760     2.582075050 

#END
data_-160.465_gel26b_14_9655 
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 58.1156
_cell_length_b 7.9707
_cell_length_c 8.9352
_cell_angle_alpha 90.0
_cell_angle_beta 33.0016
_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     0.738856980     0.290998610     1.342138730 
C2 C     0.780416810     0.292988760     1.202811360 
C3 C     0.819356700     0.276032880     0.889959080 
C4 C     0.861104690     0.277493780     0.748528890 
C5 C     0.900020980     0.260767200     0.435755340 
C6 C     0.941745250     0.261097060     0.294632160 
C7 C     0.980682260     0.244959180    -0.018220580 
C8 C     1.022368800     0.243510630    -0.158920390 
C9 C     1.061337600     0.228598680    -0.471940520 
C10 C     1.102972400     0.224777640    -0.612105080 
C11 C     1.141974150     0.212178460    -0.925375630 
C12 C     1.183549850     0.205526940    -1.064982070 
C13 C     1.222522420     0.197566860    -1.378459380 
C14 C     1.263751580     0.189180390    -1.514098570 
C15 C     1.318547970     0.334494530    -1.958571230 
C16 C     1.377568920     0.434112790    -2.446277090 
C17 C     1.410316770     0.379520870    -2.717458510 
C18 C     1.436576040     0.492773250    -2.934575700 
C19 C     1.430222890     0.664669450    -2.881696720 
C20 C     1.397440890     0.719706520    -2.610369560 
C21 C     1.371313530     0.607263540    -2.394248330 
C22 C     1.487643440     0.736130640    -3.355407110 
N1 N     1.301392070     0.187079780    -1.812943300 
N2 N     1.352538270     0.311038900    -2.239309670 
O1 O     1.304868420     0.471508100    -1.846809570 
O2 O     1.453945690     0.787071150    -3.077684400 
H1 H     0.711600260     0.303183300     1.565163810 
H2 H     0.737603290     0.394248030     1.268367540 
H3 H     0.735266450     0.173882810     1.299081290 
H4 H     0.780416010     0.190985740     1.285151730 
H5 H     0.782764280     0.409727310     1.254383430 
H6 H     0.817006310     0.159340000     0.838117250 
H7 H     0.819414510     0.378221110     0.807321070 
H8 H     0.861030880     0.175160210     0.831088940 
H9 H     0.863417560     0.394074210     0.800713570 
H10 H     0.897624130     0.144549370     0.383546230 
H11 H     0.900204610     0.363512580     0.353019630 
H12 H     0.941585460     0.158018940     0.376914670 
H13 H     0.944101980     0.377054710     0.347435100 
H14 H     0.978190590     0.129592500    -0.071064650 
H15 H     0.981008830     0.348704940    -0.100715600 
H16 H     1.022105050     0.139162470    -0.077369220 
H17 H     1.024775130     0.358400220    -0.104938660 
H18 H     1.058755770     0.114564760    -0.526062360 
H19 H     1.061825450     0.333876500    -0.553698310 
H20 H     1.102621170     0.118504690    -0.532111360 
H21 H     1.105396630     0.338010520    -0.556042400 
H22 H     1.139365060     0.100124490    -0.981891720 
H23 H     1.142633470     0.319660540    -1.005590380 
H24 H     1.183158710     0.096438530    -0.987843200 
H25 H     1.185863370     0.316293620    -1.005218350 
H26 H     1.220454070     0.088240070    -1.441376760 
H27 H     1.223711540     0.308793680    -1.456597290 
H28 H     1.264324850     0.077205030    -1.446446050 
H29 H     1.266075020     0.298429620    -1.453597820 
H30 H     1.312988800     0.075728940    -1.909715750 
H31 H     1.361006510     0.191894530    -2.308264630 
H32 H     1.415639220     0.246018050    -2.761770660 
H33 H     1.461564780     0.444947600    -3.141473170 
H34 H     1.392850930     0.853541250    -2.572145610 
H35 H     1.346112990     0.650991850    -2.185590170 
H36 H     1.502274410     0.851103800    -3.475717220 
H37 H     1.511145940     0.662371380    -3.421989000 
H38 H     1.476279140     0.662764090    -3.389093870 

#END
data_-160.185_gel26b_15_28643 
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 62.6787
_cell_length_b 5.0514
_cell_length_c 14.9384
_cell_angle_alpha 90.0
_cell_angle_beta 104.5628
_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     0.120466110     1.865784610     0.907864860 
C2 C     0.143063810     1.999728770     0.935442380 
C3 C     0.160149130     1.867597970     0.892728080 
C4 C     0.182803940     2.000391480     0.919696440 
C5 C     0.199883710     1.867991340     0.877074030 
C6 C     0.222494330     2.001994680     0.903573330 
C7 C     0.239603710     1.869155050     0.861236040 
C8 C     0.262143460     2.004968150     0.886977630 
C9 C     0.279307590     1.871115540     0.845213510 
C10 C     0.301751380     2.009287010     0.869932150 
C11 C     0.319003650     1.873397370     0.829223780 
C12 C     0.341332990     2.014283540     0.852700170 
C13 C     0.358709960     1.873961290     0.814040560 
C14 C     0.380850440     2.019374960     0.837403860 
C15 C     0.410149020     1.685584920     0.854946460 
C16 C     0.439739530     1.360213400     0.844320140 
C17 C     0.452680850     1.270720120     0.786907730 
C18 C     0.468018190     1.068100580     0.814340660 
C19 C     0.470601460     0.950930380     0.900926120 
C20 C     0.457656280     1.039986710     0.958534870 
C21 C     0.442405380     1.241529180     0.931383130 
C22 C     0.498601320     0.656832040     0.878948140 
N1 N     0.397884820     1.885049850     0.803960250 
N2 N     0.424642960     1.566014400     0.811109630 
O1 O     0.408317050     1.625154360     0.931788250 
O2 O     0.485094090     0.751313930     0.935145980 
H1 H     0.108594280     1.964063010     0.939234940 
H2 H     0.121549140     1.658399260     0.929737470 
H3 H     0.113768600     1.869423710     0.832788140 
H4 H     0.141423500     2.208521370     0.914778090 
H5 H     0.149158700     1.998868100     1.010970860 
H6 H     0.154048730     1.867991680     0.817127410 
H7 H     0.161824140     1.658676730     0.913480520 
H8 H     0.181113140     2.209184720     0.898822680 
H9 H     0.188884610     2.000294880     0.995291660 
H10 H     0.193763060     1.867051720     0.801494020 
H11 H     0.201650730     1.659500540     0.898273680 
H12 H     0.220722580     2.210281840     0.882111140 
H13 H     0.228593810     2.003709770     0.979156620 
H14 H     0.233440250     1.865765260     0.785680560 
H15 H     0.241493600     1.661373380     0.883230690 
H16 H     0.260254580     2.212359200     0.864501470 
H17 H     0.268261920     2.009755530     0.962534650 
H18 H     0.273107000     1.863947370     0.769704930 
H19 H     0.281357750     1.664494770     0.868446220 
H20 H     0.299718870     2.215227620     0.845894020 
H21 H     0.307868300     2.018729010     0.945428440 
H22 H     0.312803110     1.860756760     0.753807940 
H23 H     0.321256920     1.668668000     0.854290470 
H24 H     0.339132740     2.217967540     0.826341410 
H25 H     0.347375910     2.030420680     0.928064870 
H26 H     0.352800720     1.853923170     0.738741420 
H27 H     0.361442480     1.673605640     0.842459430 
H28 H     0.378962190     2.219243900     0.808264910 
H29 H     0.386865630     2.037968800     0.912318480 
H30 H     0.399550470     1.929222800     0.740396750 
H31 H     0.424698510     1.632484350     0.747579730 
H32 H     0.450847870     1.360074900     0.719273650 
H33 H     0.477699260     1.005018850     0.767659820 
H34 H     0.459827280     0.947297230     1.025602900 
H35 H     0.432500350     1.308922860     0.976358370 
H36 H     0.508795990     0.501538120     0.918683690 
H37 H     0.509252120     0.813529520     0.863560750 
H38 H     0.488748940     0.573480250     0.813854680 

#END
data_-160.020_gel26b_14_30018 
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 5.5709
_cell_length_b 17.1177
_cell_length_c 28.3509
_cell_angle_alpha 90.0
_cell_angle_beta 123.5327
_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     0.718775900     0.754194930     0.275897150 
C2 C     0.653392950     0.816753500     0.305816030 
C3 C     0.610540860     0.783161270     0.350706660 
C4 C     0.544362640     0.845226390     0.380814250 
C5 C     0.501934230     0.811617660     0.425737360 
C6 C     0.433835980     0.873666100     0.455559440 
C7 C     0.392363300     0.840132610     0.500624640 
C8 C     0.321263480     0.902124000     0.530004470 
C9 C     0.281810900     0.868710050     0.575362150 
C10 C     0.206718540     0.930606160     0.604154910 
C11 C     0.171128650     0.897364620     0.650048090 
C12 C     0.091288290     0.959115370     0.678150540 
C13 C     0.063610410     0.926064750     0.725052970 
C14 C    -0.019335700     0.988545680     0.752215830 
C15 C     0.205246540     0.953255620     0.852157120 
C16 C     0.354174640     0.906050740     0.948626680 
C17 C     0.252708800     0.870427020     0.978653800 
C18 C     0.434609720     0.855098060     1.036374530 
C19 C     0.724748390     0.875569900     1.065117140 
C20 C     0.827008760     0.911194960     1.035157700 
C21 C     0.646398990     0.926514000     0.977767650 
C22 C     0.826734460     0.827909420     1.153422420 
N1 N    -0.037770750     0.959037720     0.798264550 
N2 N     0.155423490     0.919408230     0.890362390 
O1 O     0.439589490     0.976888810     0.864285020 
O2 O     0.922726990     0.863472090     1.121553290 
H1 H     0.748194280     0.779742480     0.244080080 
H2 H     0.915384300     0.722139790     0.306090530 
H3 H     0.543398170     0.711663900     0.254543230 
H4 H     0.459753150     0.849198550     0.274499660 
H5 H     0.829001750     0.859548360     0.325708660 
H6 H     0.435090120     0.740226820     0.330853780 
H7 H     0.804426180     0.750764260     0.382115410 
H8 H     0.350296090     0.877521840     0.349378040 
H9 H     0.719627320     0.888203050     0.400591490 
H10 H     0.327500360     0.768392920     0.406013350 
H11 H     0.696457090     0.779617040     0.457317760 
H12 H     0.238817950     0.905489200     0.423967370 
H13 H     0.607773920     0.917037290     0.475146530 
H14 H     0.219774930     0.796362680     0.481125120 
H15 H     0.588130210     0.808787800     0.532438540 
H16 H     0.124583400     0.933148420     0.498189970 
H17 H     0.492959430     0.946149500     0.549243490 
H18 H     0.112039920     0.824130120     0.556265600 
H19 H     0.479530290     0.838370240     0.607472640 
H20 H     0.007462300     0.960418910     0.572077610 
H21 H     0.375019500     0.975585050     0.622805910 
H22 H     0.005404690     0.851672780     0.631641770 
H23 H     0.371680750     0.868518690     0.682510330 
H24 H    -0.111804620     0.987147910     0.645783540 
H25 H     0.254723410     1.005378360     0.695812340 
H26 H    -0.097176070     0.879130390     0.708141230 
H27 H     0.268510690     0.900241520     0.758252790 
H28 H    -0.227150890     1.014676750     0.720630670 
H29 H     0.141327000     1.035080190     0.769470910 
H30 H    -0.227824970     0.938394540     0.789245430 
H31 H    -0.047278550     0.902035430     0.875465390 
H32 H     0.027263480     0.854144960     0.956829030 
H33 H     0.346830820     0.827417100     1.057960470 
H34 H     1.052795250     0.926798250     1.057989780 
H35 H     0.727368380     0.954058310     0.955032150 
H36 H     1.014898760     0.824015370     1.196633170 
H37 H     0.660822520     0.863123710     1.152880290 
H38 H     0.742158710     0.769051160     1.137848830 

#END
data_-160.008_gel26b_61_28673 
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 10.132
_cell_length_b 8.569
_cell_length_c 51.6173
_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     0.892096730     0.598075760     0.420408780 
C2 C     0.834001600     0.455558550     0.434140220 
C3 C     0.896476980     0.424865940     0.460655430 
C4 C     0.839291210     0.282334230     0.474538040 
C5 C     0.901663520     0.251841830     0.501058140 
C6 C     0.845046960     0.108667040     0.514852540 
C7 C     0.907048530     0.078413370     0.541412550 
C8 C     0.851362790    -0.065733570     0.555073000 
C9 C     0.912631320    -0.095425890     0.581715650 
C10 C     0.858209150    -0.240843720     0.595199730 
C11 C     0.918146390    -0.269368100     0.621991450 
C12 C     0.865269740    -0.416266960     0.635271730 
C13 C     0.922680940    -0.442104870     0.662333170 
C14 C     0.869676790    -0.590435780     0.675178640 
C15 C     0.860024890    -0.543581450     0.722121280 
C16 C     0.888471190    -0.516986170     0.770280600 
C17 C     0.969544040    -0.558656070     0.791015260 
C18 C     0.941522320    -0.511117110     0.816237730 
C19 C     0.830270960    -0.419830450     0.821051330 
C20 C     0.748963520    -0.377831830     0.800327420 
C21 C     0.776647360    -0.425066110     0.775237230 
C22 C     0.872548540    -0.407588920     0.866444820 
N1 N     0.919549010    -0.614921840     0.701306400 
N2 N     0.924116220    -0.570121070     0.745407230 
O1 O     0.759516440    -0.466210290     0.719853770 
O2 O     0.792987680    -0.366598010     0.844927950 
H1 H     0.845835910     0.617229610     0.401541070 
H2 H     0.878013710     0.703914990     0.431947620 
H3 H     0.998222930     0.583965710     0.417237910 
H4 H     0.846533910     0.352002150     0.421907200 
H5 H     0.727278430     0.471082820     0.436532790 
H6 H     1.003339380     0.409548020     0.458286920 
H7 H     0.883818910     0.528386940     0.472925880 
H8 H     0.852133500     0.178874650     0.462264960 
H9 H     0.732420740     0.297589620     0.476870590 
H10 H     1.008612240     0.237252880     0.498742610 
H11 H     0.888315690     0.355016110     0.513374330 
H12 H     0.858775490     0.005468940     0.502555960 
H13 H     0.738040540     0.122976500     0.517103640 
H14 H     1.014176690     0.065180150     0.539189410 
H15 H     0.892495760     0.181166440     0.553772530 
H16 H     0.866611130    -0.168562200     0.542759580 
H17 H     0.744139430    -0.052977970     0.557173380 
H18 H     1.020011800    -0.106683270     0.579663410 
H19 H     0.896210400     0.006772920     0.594109710 
H20 H     0.875789090    -0.343222320     0.582900990 
H21 H     0.750698560    -0.230328120     0.597042570 
H22 H     1.025835850    -0.277973270     0.620239190 
H23 H     0.898958570    -0.167930010     0.634392190 
H24 H     0.886303050    -0.518117460     0.623046010 
H25 H     0.757436680    -0.408699720     0.636674670 
H26 H     1.030679860    -0.448334990     0.661277460 
H27 H     0.898317960    -0.342940270     0.674802880 
H28 H     0.894724440    -0.693248250     0.663614120 
H29 H     0.762280380    -0.584162620     0.676439460 
H30 H     1.003091970    -0.676779270     0.703655610 
H31 H     1.006496470    -0.635900940     0.744907350 
H32 H     1.056542280    -0.629695640     0.787560460 
H33 H     1.007014750    -0.546121550     0.831718340 
H34 H     0.662873630    -0.306907720     0.804333090 
H35 H     0.713257790    -0.392096550     0.759377580 
H36 H     0.825883830    -0.354700700     0.883293280 
H37 H     0.876884410    -0.534425760     0.869114580 
H38 H     0.973140370    -0.361931650     0.864472590 

#END