
data_-176.717_gel26a_14_11100 
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 125.1561
_cell_length_b 4.9561
_cell_length_c 8.6662
_cell_angle_alpha 90.0
_cell_angle_beta 23.8622
_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     0.026735530     0.934874250     2.799402880 
C2 C     0.041543590     1.061217110     2.739675120 
C3 C     0.068850180     0.936875260     2.405314640 
C4 C     0.083828650     1.061865420     2.343138060 
C5 C     0.111120920     0.937501540     2.009051710 
C6 C     0.126051720     1.062625410     1.947660040 
C7 C     0.153337940     0.938401460     1.614039870 
C8 C     0.168189100     1.063575410     1.553981460 
C9 C     0.195460370     0.939412190     1.221153280 
C10 C     0.210195200     1.064466760     1.163096960 
C11 C     0.237434650     0.940135070     0.831424750 
C12 C     0.252019660     1.064744200     0.776037760 
C13 C     0.279227340     0.940237880     0.445012050 
C14 C     0.293407980     1.067620600     0.395695760 
C15 C     0.341360020     1.047383420    -0.282616510 
C16 C     0.389995460     0.953242010    -0.944052290 
C17 C     0.409901910     0.776326050    -1.157496750 
C18 C     0.435827020     0.810301650    -1.546441760 
C19 C     0.442659120     1.023134200    -1.734673890 
C20 C     0.422980610     1.199476480    -1.524605590 
C21 C     0.396827830     1.165568760    -1.132240970 
C22 C     0.476549680     1.254574470    -2.320040190 
N1 N     0.319316700     0.952053580     0.083586890 
N2 N     0.364129500     0.904674910    -0.549116660 
O1 O     0.340538120     1.241471030    -0.358400060 
O2 O     0.468749290     1.040227940    -2.118761260 
H1 H     0.007310180     1.027017270     3.039949070 
H2 H     0.037781320     0.959743320     2.545906590 
H3 H     0.023782190     0.718389470     2.856312440 
H4 H     0.029763100     1.039568390     3.000707160 
H5 H     0.043714930     1.278757360     2.691794490 
H6 H     0.066701800     0.719111060     2.452928540 
H7 H     0.080657140     0.958434100     2.143887050 
H8 H     0.072000940     1.040353750     2.604746270 
H9 H     0.085970190     1.279576690     2.295522390 
H10 H     0.108987200     0.719772560     2.056527910 
H11 H     0.122964870     0.959144320     1.747309560 
H12 H     0.114185930     1.041139260     2.209626190 
H13 H     0.128190520     1.280330570     1.900068490 
H14 H     0.151207280     0.720647570     1.661408940 
H15 H     0.165231670     0.960177120     1.351843350 
H16 H     0.156259510     1.042085340     1.816546660 
H17 H     0.170336300     1.281274780     1.506312560 
H18 H     0.193323100     0.721617530     1.268447520 
H19 H     0.207434500     0.961425630     0.958233080 
H20 H     0.198170210     1.042912230     1.426554290 
H21 H     0.212372380     1.282147330     1.115148710 
H22 H     0.235281130     0.722284400     0.878625860 
H23 H     0.249538180     0.962673520     0.567392280 
H24 H     0.239851960     1.042798230     1.040852880 
H25 H     0.254230610     1.282394890     0.727861970 
H26 H     0.277255120     0.722396710     0.490203360 
H27 H     0.291682230     0.966347350     0.178391700 
H28 H     0.281514650     1.046002070     0.657475260 
H29 H     0.296217720     1.282897500     0.337894420 
H30 H     0.320537900     0.789978070     0.137010570 
H31 H     0.362442070     0.747607960    -0.453691530 
H32 H     0.404975480     0.609708920    -1.016316230 
H33 H     0.451190580     0.673876250    -1.711074920 
H34 H     0.427574760     1.366169770    -1.661181590 
H35 H     0.381677820     1.302431210    -0.971093330 
H36 H     0.497758890     1.232006860    -2.616359940 
H37 H     0.466671490     1.243037890    -2.301935340 
H38 H     0.472475750     1.451607050    -2.213933630 

#END
data_-173.406_gel26a_61_27400 
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 9.1089
_cell_length_b 9.4156
_cell_length_c 52.6099
_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     0.114872570     0.403570670     0.577891460 
C2 C     0.218097290     0.467523160     0.597768250 
C3 C     0.136858580     0.544958300     0.619137680 
C4 C     0.239137820     0.609328510     0.639123160 
C5 C     0.157967240     0.686821790     0.660480640 
C6 C     0.260476500     0.751226630     0.680430160 
C7 C     0.179601710     0.828943060     0.701793960 
C8 C     0.282441870     0.893478820     0.721678560 
C9 C     0.201972890     0.971586050     0.743042270 
C10 C     0.305254890     1.036415230     0.762827200 
C11 C     0.225218350     1.115078000     0.784171300 
C12 C     0.329011570     1.180445900     0.803820720 
C13 C     0.249100680     1.259306280     0.825135190 
C14 C     0.355125050     1.324011100     0.844518410 
C15 C     0.234170900     1.329997060     0.886333030 
C16 C     0.099044620     1.379187630     0.927007680 
C17 C     0.024753160     1.485601380     0.940536040 
C18 C    -0.036646760     1.458267770     0.964085160 
C19 C    -0.025660750     1.323000090     0.974861320 
C20 C     0.047781230     1.216665230     0.961514170 
C21 C     0.109863650     1.244120620     0.937769530 
C22 C    -0.079971530     1.171011920     1.009871830 
N1 N     0.282043520     1.400318670     0.864967360 
N2 N     0.158774200     1.416175090     0.903197250 
O1 O     0.258507070     1.203995410     0.889843890 
O2 O    -0.089643800     1.306334340     0.998179880 
H1 H     0.175691650     0.349167680     0.562854720 
H2 H     0.040209490     0.326383560     0.586537660 
H3 H     0.047599480     0.485896620     0.568950830 
H4 H     0.294024500     0.541634920     0.588514890 
H5 H     0.286406090     0.383421390     0.606009650 
H6 H     0.068444200     0.629174920     0.610910880 
H7 H     0.060821670     0.470860890     0.628411300 
H8 H     0.315174330     0.683330760     0.629830430 
H9 H     0.307489080     0.525059820     0.647340380 
H10 H     0.089573440     0.771075780     0.652269230 
H11 H     0.082000150     0.612843750     0.669793610 
H12 H     0.336504630     0.825093170     0.671101000 
H13 H     0.328823160     0.666949720     0.688644490 
H14 H     0.111152950     0.913160120     0.693583270 
H15 H     0.103717660     0.755097080     0.711159910 
H16 H     0.358437520     0.967132840     0.712286930 
H17 H     0.350791250     0.809233010     0.729900950 
H18 H     0.133423380     1.055697620     0.734821210 
H19 H     0.126237950     0.897952860     0.752494660 
H20 H     0.381177350     1.109768390     0.753340280 
H21 H     0.373612840     0.952277560     0.771078350 
H22 H     0.156492470     1.198979820     0.775927870 
H23 H     0.149809630     1.041777540     0.793768220 
H24 H     0.404724930     1.253462990     0.794182720 
H25 H     0.397427940     1.096494600     0.812105710 
H26 H     0.180282400     1.343594810     0.817063270 
H27 H     0.175661560     1.186505440     0.835198530 
H28 H     0.430822590     1.397514120     0.835149640 
H29 H     0.420523940     1.240018430     0.853238230 
H30 H     0.259086680     1.503906890     0.862464310 
H31 H     0.145121460     1.518756480     0.898290140 
H32 H     0.015032730     1.591343820     0.932469390 
H33 H    -0.093879090     1.540429420     0.974531690 
H34 H     0.058257850     1.110834710     0.969287250 
H35 H     0.166482210     1.161482540     0.927516310 
H36 H    -0.136496850     1.180778060     1.028021840 
H37 H    -0.133843790     1.088918930     0.998414980 
H38 H     0.034447490     1.140225690     1.013234610 

#END
data_-173.406_gel26a_61_51293 
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 9.1089
_cell_length_b 9.4156
_cell_length_c 52.61
_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     0.885126560     0.403572450     0.922108300 
C2 C     0.781901850     0.467525030     0.902231520 
C3 C     0.863140720     0.544960040     0.880862090 
C4 C     0.760861500     0.609330340     0.860876620 
C5 C     0.842032250     0.686823480     0.839519140 
C6 C     0.739523000     0.751228420     0.819569630 
C7 C     0.820397970     0.828944710     0.798205830 
C8 C     0.717557830     0.893480570     0.778321230 
C9 C     0.798026970     0.971587660     0.756957540 
C10 C     0.694744990     1.036416930     0.737172610 
C11 C     0.774781700     1.115079570     0.715828510 
C12 C     0.670988500     1.180447560     0.696179100 
C13 C     0.750899550     1.259307820     0.674864630 
C14 C     0.644875200     1.324012730     0.655481410 
C15 C     0.765829450     1.329998290     0.613666830 
C16 C     0.900955910     1.379188500     0.572992210 
C17 C     0.975247570     1.485602210     0.559463840 
C18 C     1.036647490     1.458268340     0.535914750 
C19 C     1.025661300     1.323000430     0.525138620 
C20 C     0.952219120     1.216665610     0.538485770 
C21 C     0.890136680     1.244121260     0.562230390 
C22 C     1.079971920     1.171011780     0.490128160 
N1 N     0.717956890     1.400320180     0.635032470 
N2 N     0.841226330     1.416176230     0.596802610 
O1 O     0.741493100     1.203996490     0.610155990 
O2 O     1.089644380     1.306334430     0.501820080 
H1 H     0.824307350     0.349169560     0.937145030 
H2 H     0.959789590     0.326385090     0.913462120 
H3 H     0.952399810     0.485898480     0.931048900 
H4 H     0.705974680     0.541637050     0.911484860 
H5 H     0.713592890     0.383423190     0.893990130 
H6 H     0.931555270     0.629176740     0.889088870 
H7 H     0.939177590     0.470862380     0.871588490 
H8 H     0.684825040     0.683332830     0.870169330 
H9 H     0.692510080     0.525061580     0.852659410 
H10 H     0.910426210     0.771077550     0.847730530 
H11 H     0.917999300     0.612845190     0.830206190 
H12 H     0.663494920     0.825095200     0.828898760 
H13 H     0.671176180     0.666951430     0.811355310 
H14 H     0.888846890     0.913161840     0.806416500 
H15 H     0.896281970     0.755098480     0.788839900 
H16 H     0.641562210     0.967134830     0.787712850 
H17 H     0.649208280     0.809234670     0.770098860 
H18 H     0.866576640     1.055699290     0.765178580 
H19 H     0.873761870     0.897954220     0.747505160 
H20 H     0.618822570     1.109770340     0.746659500 
H21 H     0.626386880     0.952279180     0.728921480 
H22 H     0.843507740     1.198981470     0.724071920 
H23 H     0.850190380     1.041778860     0.706231610 
H24 H     0.595275180     1.253464900     0.705817080 
H25 H     0.602571960     1.096496180     0.687894130 
H26 H     0.819718000     1.343596410     0.682936530 
H27 H     0.824338630     1.186506720     0.664801320 
H28 H     0.569177700     1.397516000     0.664850160 
H29 H     0.579476150     1.240019990     0.646761620 
H30 H     0.740913890     1.503908520     0.637535500 
H31 H     0.854879210     1.518757760     0.601709700 
H32 H     0.984968140     1.591344830     0.567530470 
H33 H     1.093879990     1.540429950     0.525468210 
H34 H     0.941742350     1.110834920     0.530712710 
H35 H     0.833517970     1.161483200     0.572483610 
H36 H     1.136497300     1.180777750     0.471978170 
H37 H     1.133844100     1.088918680     0.501585010 
H38 H     0.965552770     1.140225630     0.486765390 

#END
data_-173.143_gel26a_1_7230 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
_cell_length_a 26.9298
_cell_length_b 24.907
_cell_length_c 54.3788
_cell_angle_alpha 173.0446
_cell_angle_beta 172.6925
_cell_angle_gamma 10.3932
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -1.768431480    -0.663498410    -1.612465410 
C2 C    -1.321565820    -0.616007950    -1.370098830 
C3 C    -1.135604950    -0.372705030    -1.190344300 
C4 C    -0.688609080    -0.323444430    -0.947287190 
C5 C    -0.502592610    -0.080472300    -0.767652870 
C6 C    -0.055560530    -0.031998330    -0.524907180 
C7 C     0.131262610     0.210365650    -0.345146330 
C8 C     0.578309500     0.257395440    -0.103016730 
C9 C     0.766251930     0.498665500     0.076797070 
C10 C     1.213329180     0.543394170     0.317927490 
C11 C     1.402432740     0.783004350     0.497543840 
C12 C     1.849579650     0.824466160     0.737239510 
C13 C     2.038817730     1.063213120     0.916525070 
C14 C     2.485950410     1.099826250     1.154392530 
C15 C     2.732765330     1.779270170     1.563068580 
C16 C     2.997985960     2.386201340     1.941131450 
C17 C     3.149382900     2.468504170     2.029265240 
C18 C     3.261622470     2.895456660     2.270906560 
C19 C     3.225382770     3.254813140     2.432374780 
C20 C     3.074603720     3.175715930     2.345864380 
C21 C     2.961578170     2.745209230     2.102317120 
C22 C     3.315204780     4.036668830     2.838406280 
N1 N     2.673983990     1.323931580     1.327673610 
N2 N     2.892165690     1.941348030     1.693187130 
O1 O     2.654037690     2.011523800     1.647469650 
O2 O     3.344146340     3.663556530     2.667390410 
H1 H    -1.893380320    -0.838774760    -1.737485250 
H2 H    -1.891782040    -0.337958770    -1.525862010 
H3 H    -1.867105660    -0.848884540    -1.761617410 
H4 H    -1.206222510    -0.945868110    -1.461985720 
H5 H    -1.230627380    -0.438109090    -1.227705560 
H6 H    -1.226420240    -0.550487670    -1.332652740 
H7 H    -1.250895780    -0.042479900    -1.098283460 
H8 H    -0.573632110    -0.653765060    -1.039531190 
H9 H    -0.598056290    -0.145634630    -0.805094960 
H10 H    -0.593170830    -0.258133860    -0.909794330 
H11 H    -0.617221040     0.250003830    -0.675164940 
H12 H     0.058861920    -0.362569410    -0.617516340 
H13 H     0.034945150     0.145791600    -0.382746220 
H14 H     0.040559490     0.032834720    -0.487291850 
H15 H     0.017473460     0.541239300    -0.252079890 
H16 H     0.691776660    -0.073619820    -0.196265470 
H17 H     0.668940550     0.435238010     0.039225050 
H18 H     0.675153410     0.321281400    -0.065473380 
H19 H     0.653850810     0.830178000     0.170814030 
H20 H     1.325330370     0.211688130     0.223687230 
H21 H     1.304402410     0.721430780     0.460458150 
H22 H     1.310567920     0.605862860     0.355015380 
H23 H     1.292446190     1.115540750     0.593187810 
H24 H     1.959280310     0.491527970     0.641348740 
H25 H     1.941321840     1.002579650     0.880112810 
H26 H     1.949047250     0.887816180     0.775734150 
H27 H     1.937378620     1.399030970     1.017956880 
H28 H     2.598996390     0.769691060     1.061316670 
H29 H     2.577340360     1.287072520     1.300827980 
H30 H     2.737981400     1.141292600     1.261297400 
H31 H     2.944894710     1.718229240     1.604461330 
H32 H     3.179602920     2.193584150     1.906508170 
H33 H     3.378732090     2.958882720     2.339021110 
H34 H     3.042447130     3.446043070     2.465727430 
H35 H     2.844908530     2.685829120     2.036213250 
H36 H     3.424687330     4.323887080     3.012114170 
H37 H     3.011432730     4.079155980     2.713883080 
H38 H     3.493961550     4.010212660     2.930775690 

#END
data_-172.576_gel26a_14_25645 
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 37.8448
_cell_length_b 8.9961
_cell_length_c 8.9754
_cell_angle_alpha 90.0
_cell_angle_beta 128.4658
_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     0.273999480     0.786473000     0.900248790 
C2 C     0.234762980     0.880376770     0.738928830 
C3 C     0.196431260     0.786928610     0.572829360 
C4 C     0.157010470     0.879818740     0.410685080 
C5 C     0.118696550     0.786441610     0.244562410 
C6 C     0.079333130     0.879576470     0.082503820 
C7 C     0.040994780     0.786486390    -0.083921690 
C8 C     0.001734620     0.879975090    -0.245895010 
C9 C    -0.036624400     0.787278800    -0.412795750 
C10 C    -0.075727480     0.881240170    -0.574736220 
C11 C    -0.114078500     0.788965350    -0.742221190 
C12 C    -0.152970450     0.883473290    -0.904266270 
C13 C    -0.191278080     0.791328730    -1.071865130 
C14 C    -0.229728040     0.888219240    -1.232288690 
C15 C    -0.301023050     0.749677430    -1.396991340 
C16 C    -0.371348370     0.595506080    -1.604428550 
C17 C    -0.396909520     0.510924390    -1.772100170 
C18 C    -0.436250660     0.440936900    -1.830919160 
C19 C    -0.451273990     0.453376960    -1.723235210 
C20 C    -0.426016480     0.537027680    -1.556307980 
C21 C    -0.386349140     0.607774920    -1.496897700 
C22 C    -0.507092720     0.391196960    -1.688725950 
N1 N    -0.266577140     0.803408510    -1.394131160 
N2 N    -0.331811020     0.663514410    -1.555264870 
O1 O    -0.303814970     0.778029690    -1.271600340 
O2 O    -0.490485090     0.380435510    -1.792892960 
H1 H     0.300890830     0.855914760     1.016705280 
H2 H     0.262760700     0.710900560     0.958818960 
H3 H     0.288640560     0.718659060     0.849712170 
H4 H     0.247140450     0.957585990     0.686155230 
H5 H     0.221387340     0.949579500     0.794192140 
H6 H     0.209779840     0.717608950     0.517387310 
H7 H     0.184019980     0.709600210     0.625514810 
H8 H     0.169458400     0.957158020     0.358183830 
H9 H     0.143681740     0.949080510     0.466229960 
H10 H     0.132016400     0.717135240     0.189014380 
H11 H     0.106210690     0.709163590     0.296948580 
H12 H     0.091849660     0.956926930     0.030302910 
H13 H     0.066009840     0.948835060     0.138070010 
H14 H     0.054315700     0.717125770    -0.139426160 
H15 H     0.028409680     0.709266310    -0.031905160 
H16 H     0.014368580     0.957325640    -0.297601860 
H17 H    -0.011603890     0.949232040    -0.190396550 
H18 H    -0.023279770     0.717824780    -0.468130790 
H19 H    -0.049371690     0.710167090    -0.361380670 
H20 H    -0.062914660     0.958565980    -0.625713710 
H21 H    -0.089120230     0.950490210    -0.519476210 
H22 H    -0.100684150     0.719350500    -0.797214380 
H23 H    -0.127097870     0.712113430    -0.691792560 
H24 H    -0.139876380     0.960660230    -0.954237480 
H25 H    -0.166429880     0.952761610    -0.849357590 
H26 H    -0.178196060     0.721538410    -1.127977080 
H27 H    -0.205177310     0.716264240    -1.024055710 
H28 H    -0.217123290     0.965266130    -1.283891470 
H29 H    -0.243887920     0.954294620    -1.178819700 
H30 H    -0.264894200     0.776973420    -1.498501610 
H31 H    -0.326058870     0.647444090    -1.649629710 
H32 H    -0.385770980     0.499918130    -1.857620940 
H33 H    -0.455991420     0.375760220    -1.960394530 
H34 H    -0.436651050     0.548914600    -1.469570790 
H35 H    -0.366921140     0.672276560    -1.367611910 
H36 H    -0.538175560     0.326706580    -1.767920850 
H37 H    -0.483191200     0.344597170    -1.545368000 
H38 H    -0.514515800     0.506662520    -1.677845770 

#END
data_-172.047_gel26a_20_10562 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 +x,-y,-z
3 -x,+y,1/2-z
4 -x,-y,1/2+z
5 1/2+x,1/2+y,+z
6 1/2+x,1/2-y,-z
7 1/2-x,1/2+y,1/2-z
8 1/2-x,1/2-y,1/2+z
_cell_length_a 10.3524
_cell_length_b 24.1584
_cell_length_c 33.6472
_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     0.768057860     0.442292600    -0.065108960 
C2 C     0.642825560     0.436884070    -0.041289310 
C3 C     0.660121220     0.449892670     0.002915770 
C4 C     0.535397620     0.444602490     0.027011720 
C5 C     0.552666950     0.457571220     0.071208490 
C6 C     0.427842560     0.452199870     0.095251760 
C7 C     0.444866840     0.465077500     0.139469680 
C8 C     0.319928000     0.459548750     0.163437740 
C9 C     0.336636780     0.472265250     0.207690610 
C10 C     0.211575610     0.466474810     0.231565840 
C11 C     0.227993530     0.478953830     0.275860310 
C12 C     0.102838480     0.472776130     0.299642660 
C13 C     0.119225890     0.485145270     0.343930100 
C14 C    -0.007103870     0.478580440     0.367108620 
C15 C    -0.005075370     0.542938930     0.423800400 
C16 C     0.011230630     0.594633740     0.488372560 
C17 C     0.040944460     0.588403640     0.528808750 
C18 C     0.036401690     0.633001610     0.554563000 
C19 C     0.001940870     0.685443900     0.540584600 
C20 C    -0.027506560     0.691973420     0.500432520 
C21 C    -0.023063800     0.647017100     0.474430050 
C22 C    -0.035387580     0.780635430     0.555369410 
N1 N     0.005794890     0.489855810     0.409398270 
N2 N     0.017796460     0.547031260     0.464239570 
O1 O    -0.033706840     0.581997580     0.402522970 
O2 O     0.000085810     0.726877180     0.568258180 
H1 H     0.753001740     0.432707060    -0.096522370 
H2 H     0.806731030     0.484371470    -0.063238290 
H3 H     0.842218360     0.414119070    -0.053794380 
H4 H     0.604474870     0.394811220    -0.044482520 
H5 H     0.569390000     0.464587920    -0.053768950 
H6 H     0.733608900     0.422184930     0.015441300 
H7 H     0.698513390     0.491999000     0.006143050 
H8 H     0.497047370     0.402500340     0.023746660 
H9 H     0.461980600     0.472320620     0.014472030 
H10 H     0.626104380     0.429869500     0.083755520 
H11 H     0.590917350     0.499683970     0.074493540 
H12 H     0.389578780     0.410093000     0.091923690 
H13 H     0.354435530     0.479917320     0.082707890 
H14 H     0.518345640     0.437393750     0.152015630 
H15 H     0.482934740     0.507208580     0.142828230 
H16 H     0.281827090     0.417429780     0.160006840 
H17 H     0.246501160     0.487266820     0.150907920 
H18 H     0.410217050     0.444610930     0.220215190 
H19 H     0.374396040     0.514425560     0.211167430 
H20 H     0.173742040     0.424333150     0.227984470 
H21 H     0.138078980     0.494196100     0.219085790 
H22 H     0.301760580     0.451353130     0.288338390 
H23 H     0.265175770     0.521161250     0.279523870 
H24 H     0.065504080     0.430567040     0.295856530 
H25 H     0.029222270     0.500478300     0.287227620 
H26 H     0.192686870     0.457656260     0.356670740 
H27 H     0.153814680     0.527572860     0.348010800 
H28 H    -0.045022350     0.436568210     0.363701230 
H29 H    -0.079310340     0.507178460     0.355420100 
H30 H     0.030805350     0.458556100     0.427563530 
H31 H     0.040825890     0.511966190     0.478816950 
H32 H     0.067978040     0.547984240     0.540219990 
H33 H     0.059239670     0.628178830     0.585773740 
H34 H    -0.054481490     0.731964970     0.488623130 
H35 H    -0.045855490     0.652292910     0.443394640 
H36 H    -0.031240310     0.806894260     0.581635560 
H37 H     0.031794880     0.796532630     0.532924160 
H38 H    -0.133669190     0.781259520     0.543255380 

#END
data_-171.508_gel26a_14_2293 
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 37.6422
_cell_length_b 9.231
_cell_length_c 9.1296
_cell_angle_alpha 90.0
_cell_angle_beta 132.3571
_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     0.318849680     0.713871050     1.696231610 
C2 C     0.278276760     0.809074620     1.524114090 
C3 C     0.237151290     0.721740180     1.341946650 
C4 C     0.196376110     0.815974260     1.168910740 
C5 C     0.155270680     0.728708070     0.986732130 
C6 C     0.114559090     0.823176270     0.813815270 
C7 C     0.073431740     0.736193570     0.631341790 
C8 C     0.032834370     0.830999260     0.458570060 
C9 C    -0.008308690     0.744405110     0.275640900 
C10 C    -0.048732180     0.839661030     0.102994610 
C11 C    -0.089858900     0.753481420    -0.080479920 
C12 C    -0.130048350     0.849257160    -0.253103670 
C13 C    -0.171126170     0.763202550    -0.436661990 
C14 C    -0.210828420     0.861258920    -0.607427020 
C15 C    -0.288050370     0.732081170    -0.806228320 
C16 C    -0.364048670     0.587940560    -1.046191980 
C17 C    -0.391254340     0.508443240    -1.223179100 
C18 C    -0.434039980     0.443212290    -1.301794070 
C19 C    -0.450976590     0.455468120    -1.205239890 
C20 C    -0.424102350     0.534083480    -1.029151540 
C21 C    -0.380961170     0.600029320    -0.949779310 
C22 C    -0.512210910     0.398181680    -1.202002940 
N1 N    -0.250305800     0.782212290    -0.784477740 
N2 N    -0.320998350     0.651304390    -0.976839700 
O1 O    -0.291729410     0.758925670    -0.685975180 
O2 O    -0.493569000     0.387433600    -1.294321270 
H1 H     0.347733940     0.778924060     1.824085360 
H2 H     0.305626170     0.640518540     1.744613740 
H3 H     0.334502780     0.647260090     1.652779130 
H4 H     0.292706310     0.883905140     1.481938130 
H5 H     0.263972540     0.876922060     1.572798220 
H6 H     0.251426500     0.653781900     1.293073120 
H7 H     0.222684750     0.646796370     1.384016970 
H8 H     0.210881140     0.890924930     1.127036570 
H9 H     0.182121190     0.883874100     1.217891470 
H10 H     0.169515620     0.660765380     0.937742510 
H11 H     0.140725900     0.653820360     1.028478350 
H12 H     0.129136380     0.898131180     0.772265180 
H13 H     0.100309890     0.891072490     0.862819160 
H14 H     0.087677090     0.668197620     0.582392940 
H15 H     0.058782570     0.661371440     0.672683970 
H16 H     0.047535370     0.905943020     0.417554780 
H17 H     0.018569150     0.898895370     0.507501020 
H18 H     0.005960350     0.676315390     0.226864210 
H19 H    -0.023128390     0.669703450     0.316325780 
H20 H    -0.033842820     0.914563780     0.062770840 
H21 H    -0.063054530     0.907555680     0.151668450 
H22 H    -0.075539770     0.685229240    -0.128907480 
H23 H    -0.104964160     0.679057650    -0.040873570 
H24 H    -0.114862620     0.923999070    -0.292221410 
H25 H    -0.144440110     0.917196010    -0.204800490 
H26 H    -0.157138900     0.694807820    -0.486329440 
H27 H    -0.187151020     0.690595980    -0.399963860 
H28 H    -0.196162350     0.935907940    -0.648366300 
H29 H    -0.225995610     0.926123260    -0.560963440 
H30 H    -0.247961560     0.757146170    -0.884982940 
H31 H    -0.314230380     0.636000540    -1.065338020 
H32 H    -0.378671770     0.497662810    -1.300294500 
H33 H    -0.455049700     0.381958370    -1.438459790 
H34 H    -0.436140250     0.545680530    -0.950583720 
H35 H    -0.360294560     0.660646980    -0.813474540 
H36 H    -0.545859410     0.337935540    -1.295920090 
H37 H    -0.487727230     0.350173550    -1.053397780 
H38 H    -0.519364220     0.511056870    -1.191616270 

#END
data_-171.094_gel26a_9_8636 
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 85.8002
_cell_length_b 4.9635
_cell_length_c 8.6522
_cell_angle_alpha 90.0
_cell_angle_beta 143.1313
_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     0.486921230     1.192848330     2.760012220 
C2 C     0.472130570     1.317310300     2.506954910 
C3 C     0.445199740     1.193408580     2.269362300 
C4 C     0.430241560     1.316526900     2.015192160 
C5 C     0.403324660     1.192601560     1.777624010 
C6 C     0.388413110     1.315849920     1.523664640 
C7 C     0.361501450     1.192058350     1.285750120 
C8 C     0.346667700     1.315350620     1.032120590 
C9 C     0.319769660     1.191610410     0.793717390 
C10 C     0.305049410     1.314773720     0.540515020 
C11 C     0.278181250     1.190853490     0.301610840 
C12 C     0.263606950     1.313558120     0.048867000 
C13 C     0.236769560     1.189459360    -0.190021360 
C14 C     0.222592180     1.314912840    -0.440387360 
C15 C     0.175513310     1.296517590    -0.765607710 
C16 C     0.127697960     1.203957170    -1.122203200 
C17 C     0.107990150     1.027037570    -1.325928540 
C18 C     0.082588380     1.062274670    -1.479321580 
C19 C     0.076098570     1.276418550    -1.433268670 
C20 C     0.095582770     1.452776230    -1.230933370 
C21 C     0.121207680     1.417595310    -1.076198540 
C22 C     0.043076400     1.510379940    -1.556218290 
N1 N     0.197030880     1.199682640    -0.671044320 
N2 N     0.153025730     1.154050360    -0.976103320 
O1 O     0.176525590     1.491593060    -0.671819000 
O2 O     0.050517670     1.294697570    -1.595036910 
H1 H     0.506075030     1.284632300     2.926285860 
H2 H     0.476265170     1.219557500     2.783842240 
H3 H     0.489745780     0.976352520     2.765367590 
H4 H     0.483513930     1.293831770     2.491002280 
H5 H     0.470077750     1.534860990     2.508967180 
H6 H     0.447229860     0.975634280     2.267135840 
H7 H     0.433790420     1.216798680     2.285157170 
H8 H     0.441671480     1.293184810     1.999652640 
H9 H     0.428218330     1.534249570     2.017565250 
H10 H     0.405340260     0.974861930     1.775227310 
H11 H     0.391878640     1.216073730     1.792955550 
H12 H     0.399880750     1.292534590     1.508566950 
H13 H     0.386392590     1.533566610     1.526071050 
H14 H     0.363514160     0.974294930     1.283397530 
H15 H     0.350006130     1.215661340     1.300489670 
H16 H     0.358198550     1.292033520     1.017764280 
H17 H     0.344638860     1.533061210     1.034427970 
H18 H     0.321789160     0.973808560     0.791580810 
H19 H     0.308194690     1.215447640     0.807490470 
H20 H     0.316674760     1.291395520     0.527270910 
H21 H     0.302990870     1.532464500     0.542472070 
H22 H     0.280217290     0.972999960     0.299912920 
H23 H     0.266478000     1.215209040     0.313774260 
H24 H     0.275373540     1.289793610     0.037263940 
H25 H     0.261514770     1.531216580     0.050340790 
H26 H     0.238626600     0.971613820    -0.193513030 
H27 H     0.224717690     1.217358010    -0.182674270 
H28 H     0.234087910     1.291472930    -0.454712100 
H29 H     0.219913830     1.530241080    -0.441793500 
H30 H     0.195664790     1.036836870    -0.750660120 
H31 H     0.154514510     0.996082820    -1.036875600 
H32 H     0.112656730     0.859412900    -1.364634450 
H33 H     0.067377970     0.925844770    -1.636656980 
H34 H     0.091242590     1.620465820    -1.189876280 
H35 H     0.136209410     1.554476650    -0.919840830 
H36 H     0.022243540     1.488592080    -1.703778100 
H37 H     0.052999310     1.500314400    -1.365549430 
H38 H     0.047027130     1.706232210    -1.578494190 

#END
data_-170.581_gel26a_9_1113 
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 52.465
_cell_length_b 4.9611
_cell_length_c 8.6593
_cell_angle_alpha 90.0
_cell_angle_beta 79.6033
_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    -0.075701550     0.311603310     0.234108350 
C2 C    -0.061025690     0.186200050     0.353703100 
C3 C    -0.034186680     0.310222810     0.349211940 
C4 C    -0.019343680     0.186166960     0.468415220 
C5 C     0.007481390     0.310212590     0.464024920 
C6 C     0.022277770     0.186025010     0.583436790 
C7 C     0.049097360     0.309933840     0.579439730 
C8 C     0.063815950     0.185699490     0.699221850 
C9 C     0.090621570     0.309552330     0.695835740 
C10 C     0.105226600     0.185442410     0.816212630 
C11 C     0.132001910     0.309469550     0.813596810 
C12 C     0.146460860     0.185811970     0.934829850 
C13 C     0.173205290     0.310015720     0.932475730 
C14 C     0.187268010     0.183598640     1.054896330 
C15 C     0.234262790     0.202790850     0.956424730 
C16 C     0.281969070     0.295997330     0.882885790 
C17 C     0.301582620     0.472821020     0.909672550 
C18 C     0.326957440     0.438158910     0.834346610 
C19 C     0.333514150     0.224707510     0.729345250 
C20 C     0.314123870     0.048450900     0.701937400 
C21 C     0.288526170     0.083051560     0.777929790 
C22 C     0.366567830    -0.008018940     0.554489850 
N1 N     0.212738980     0.298904020     1.055773610 
N2 N     0.256662380     0.345286220     0.964875590 
O1 O     0.233326230     0.008260270     0.871259230 
O2 O     0.359061630     0.206960700     0.660824710 
H1 H    -0.094791510     0.219711260     0.240000310 
H2 H    -0.064997600     0.285791450     0.114311230 
H3 H    -0.078549000     0.528044770     0.254727540 
H4 H    -0.072453500     0.208789010     0.472161110 
H5 H    -0.058947170    -0.031294410     0.332659860 
H6 H    -0.036242580     0.527940940     0.370265580 
H7 H    -0.022732940     0.287722910     0.230678230 
H8 H    -0.030817900     0.208619340     0.586878810 
H9 H    -0.017294580    -0.031498880     0.447277060 
H10 H     0.005439920     0.527895740     0.485118130 
H11 H     0.018971620     0.287629610     0.345624100 
H12 H     0.010766020     0.208451340     0.701798030 
H13 H     0.024324180    -0.031634790     0.562289690 
H14 H     0.047058820     0.527641330     0.600462830 
H15 H     0.060636650     0.287218940     0.461186730 
H16 H     0.052241300     0.208128810     0.817410660 
H17 H     0.065870630    -0.031954390     0.678098900 
H18 H     0.088576350     0.527299420     0.716704100 
H19 H     0.102240120     0.286601280     0.577831680 
H20 H     0.093557920     0.207934730     0.934139980 
H21 H     0.107310840    -0.032192220     0.795172700 
H22 H     0.129940390     0.527270520     0.834175590 
H23 H     0.143748080     0.285996680     0.696046430 
H24 H     0.134651580     0.208693390     1.052388570 
H25 H     0.148578490    -0.031791670     0.913970560 
H26 H     0.171322110     0.527807500     0.953236890 
H27 H     0.185298190     0.282985890     0.816594480 
H28 H     0.175728590     0.206153470     1.172737830 
H29 H     0.189971370    -0.031655110     1.031647170 
H30 H     0.214042440     0.461320750     1.123501330 
H31 H     0.255115820     0.502768070     1.039442780 
H32 H     0.296863080     0.639912050     0.990800260 
H33 H     0.342095040     0.574513970     0.855121220 
H34 H     0.318517660    -0.118709830     0.621396120 
H35 H     0.273597230    -0.053748170     0.756253570 
H36 H     0.387359910     0.014100480     0.514596260 
H37 H     0.356742010     0.002801230     0.453174580 
H38 H     0.362608090    -0.204398970     0.611817630 

#END
data_-169.012_gel26a_14_13059 
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 27.2582
_cell_length_b 8.2926
_cell_length_c 10.2995
_cell_angle_alpha 90.0
_cell_angle_beta 106.0981
_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     1.224532220     0.147758240     1.168239710 
C2 C     1.192966350     0.220019220     1.034470660 
C3 C     1.139644900     0.145752830     0.983962980 
C4 C     1.107754170     0.217215380     0.850195560 
C5 C     1.054458400     0.142933180     0.799630870 
C6 C     1.022656190     0.214470250     0.665780560 
C7 C     0.969363440     0.140261200     0.614890110 
C8 C     0.937708480     0.211818610     0.480884320 
C9 C     0.884431180     0.137629630     0.429500590 
C10 C     0.852990030     0.209100230     0.295223440 
C11 C     0.799757410     0.134790200     0.243246550 
C12 C     0.768589400     0.205972310     0.108545560 
C13 C     0.715412850     0.131551070     0.056410960 
C14 C     0.685009650     0.204360190    -0.078511080 
C15 C     0.593528610     0.194734100    -0.091578560 
C16 C     0.500108590     0.140282340    -0.126663170 
C17 C     0.460511060     0.033792860    -0.188379730 
C18 C     0.411575660     0.056015500    -0.176971120 
C19 C     0.400714710     0.185961680    -0.103046830 
C20 C     0.439880600     0.292124160    -0.041256690 
C21 C     0.489245820     0.269925080    -0.052773320 
C22 C     0.338571900     0.328798440    -0.024555360 
N1 N     0.634303060     0.135198580    -0.130856520 
N2 N     0.548769900     0.109163300    -0.143755470 
O1 O     0.597164600     0.312976420    -0.018879840 
O2 O     0.351293850     0.197915260    -0.097636220 
H1 H     1.262405130     0.202722170     1.201824530 
H2 H     1.205669280     0.165771740     1.248093840 
H3 H     1.229718420     0.017863730     1.158709100 
H4 H     1.213296850     0.203967990     0.957226780 
H5 H     1.189318270     0.350558230     1.045945380 
H6 H     1.143247760     0.015079650     0.972434810 
H7 H     1.119264360     0.161752270     1.061218710 
H8 H     1.128176880     0.201246050     0.773041640 
H9 H     1.104166550     0.347859200     0.861810540 
H10 H     1.058031750     0.012279960     0.788038650 
H11 H     1.034002630     0.158979120     0.876696720 
H12 H     1.043155610     0.198519020     0.588791500 
H13 H     1.019074120     0.345110650     0.677408820 
H14 H     0.972932360     0.009594960     0.603351910 
H15 H     0.948807110     0.156382460     0.691726770 
H16 H     0.958336480     0.195869810     0.404172810 
H17 H     0.934109450     0.342454880     0.492474870 
H18 H     0.888016480     0.006943160     0.418108730 
H19 H     0.863712280     0.153886080     0.505958190 
H20 H     0.873810300     0.193120200     0.218930550 
H21 H     0.849330540     0.339722970     0.306682080 
H22 H     0.803380980     0.004078020     0.232136260 
H23 H     0.778775700     0.151347850     0.319047220 
H24 H     0.789696610     0.189768690     0.032862520 
H25 H     0.764859830     0.336572290     0.119781100 
H26 H     0.718678060     0.000839130     0.044775470 
H27 H     0.693708880     0.150196920     0.130032600 
H28 H     0.705574550     0.188343780    -0.154997780 
H29 H     0.680162780     0.333603440    -0.066424560 
H30 H     0.630298290     0.036547250    -0.189749570 
H31 H     0.550296600     0.013332060    -0.202634720 
H32 H     0.468213070    -0.067909020    -0.246191870 
H33 H     0.381012570    -0.026105050    -0.224690740 
H34 H     0.432814630     0.393857010     0.016728750 
H35 H     0.519412260     0.352330100    -0.004720540 
H36 H     0.298019650     0.316307030    -0.033336320 
H37 H     0.360155230     0.324634460     0.082408780 
H38 H     0.345345070     0.445017320    -0.067275630 

#END
data_-169.007_gel26a_61_29018 
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 10.1219
_cell_length_b 8.5239
_cell_length_c 51.9475
_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     1.092063990    -0.213864140     0.373233640 
C2 C     1.152609190    -0.079702360     0.388835280 
C3 C     1.092692780    -0.063604900     0.415761340 
C4 C     1.152587150     0.070283770     0.431528050 
C5 C     1.092657970     0.086472140     0.458441020 
C6 C     1.152613120     0.220535890     0.474162700 
C7 C     1.092746360     0.237119870     0.501073360 
C8 C     1.152717870     0.371496890     0.516720220 
C9 C     1.092871180     0.388689890     0.543621960 
C10 C     1.152771520     0.523577750     0.559160180 
C11 C     1.092829760     0.541526400     0.586038150 
C12 C     1.152494280     0.677161470     0.601437590 
C13 C     1.092462060     0.695349310     0.628286960 
C14 C     1.153453460     0.831891640     0.643297580 
C15 C     1.146589480     0.769729650     0.689541670 
C16 C     1.103191400     0.732847280     0.736761030 
C17 C     1.016824520     0.774430890     0.756752980 
C18 C     1.035435450     0.718746780     0.781504120 
C19 C     1.141433450     0.619205430     0.787034140 
C20 C     1.227536230     0.577167220     0.767260960 
C21 C     1.208941090     0.633348250     0.742292190 
C22 C     1.258473440     0.470313720     0.818495900 
N1 N     1.097706870     0.852401780     0.668892360 
N2 N     1.077338650     0.795230590     0.712144580 
O1 O     1.242862620     0.684119830     0.687748850 
O2 O     1.151682580     0.570430190     0.812027480 
H1 H     1.136452810    -0.222547980     0.354101590 
H2 H     1.106397550    -0.326564650     0.382930400 
H3 H     0.985670510    -0.196963110     0.370714250 
H4 H     1.139848350     0.031081570     0.378400180 
H5 H     1.259500220    -0.097645230     0.390580450 
H6 H     0.985692700    -0.045635030     0.414039060 
H7 H     1.105411610    -0.174445440     0.426221830 
H8 H     1.139891790     0.181037040     0.421046440 
H9 H     1.259562360     0.052222250     0.433242850 
H10 H     0.985675020     0.104494060     0.456733490 
H11 H     1.105417110    -0.024203510     0.468939090 
H12 H     1.139930540     0.331155270     0.463642630 
H13 H     1.259585390     0.202463080     0.475874730 
H14 H     0.985752360     0.255072840     0.499368210 
H15 H     1.105569960     0.126634800     0.511621700 
H16 H     1.140033870     0.481890610     0.506135740 
H17 H     1.259687210     0.353455210     0.518440740 
H18 H     0.985859330     0.406480170     0.541908860 
H19 H     1.105810090     0.278523160     0.554251560 
H20 H     1.140056780     0.633629900     0.548479410 
H21 H     1.259731390     0.505643980     0.560911000 
H22 H     0.985794300     0.559009330     0.584306340 
H23 H     1.106023130     0.431926990     0.596798930 
H24 H     1.139588760     0.786723160     0.590613250 
H25 H     1.259437920     0.659437640     0.603223390 
H26 H     0.985434430     0.713161130     0.626735230 
H27 H     1.107390180     0.587751110     0.639406240 
H28 H     1.140712970     0.941960410     0.632745560 
H29 H     1.259290340     0.812196820     0.645651570 
H30 H     1.017381020     0.920871930     0.670883140 
H31 H     0.999267280     0.868380790     0.711335330 
H32 H     0.933873290     0.851602040     0.752828720 
H33 H     0.968833910     0.750943880     0.796934520 
H34 H     1.310505090     0.500328920     0.770863900 
H35 H     1.275777110     0.600408210     0.727062840 
H36 H     1.248716050     0.446429660     0.838996580 
H37 H     1.254022500     0.359518830     0.807818830 
H38 H     1.353944490     0.526843130     0.814866010 

#END
data_-168.536_gel26a_2_6239 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 12.2838
_cell_length_b 36.3732
_cell_length_c 5.6901
_cell_angle_alpha 120.1329
_cell_angle_beta 32.392
_cell_angle_gamma 125.0633
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     1.265213440     0.249345240     0.799032450 
C2 C     1.244456120     0.200084450     0.636553780 
C3 C     1.081427760     0.167648740     0.992878360 
C4 C     1.059451500     0.118279830     0.833682520 
C5 C     0.896584080     0.085846560     1.189734650 
C6 C     0.875038160     0.036500340     1.029664150 
C7 C     0.712467920     0.003995480     1.384916290 
C8 C     0.691670670    -0.045309150     1.223493220 
C9 C     0.529610320    -0.077910230     1.577581840 
C10 C     0.509960380    -0.127155530     1.414255880 
C11 C     0.348644850    -0.159848400     1.766963300 
C12 C     0.330559640    -0.209021090     1.601283610 
C13 C     0.169638110    -0.241710000     1.953429840 
C14 C     0.154661140    -0.290655040     1.779907030 
C15 C    -0.211087540    -0.339535920     2.386817520 
C16 C    -0.557577140    -0.390739210     3.021097910 
C17 C    -0.648299890    -0.416139250     3.304081660 
C18 C    -0.865126020    -0.440443800     3.630421930 
C19 C    -0.998469960    -0.440051730     3.684135220 
C20 C    -0.909550540    -0.414833750     3.404676400 
C21 C    -0.690848210    -0.390333220     3.075159390 
C22 C    -1.350628340    -0.465912860     4.078359880 
N1 N     0.003318890    -0.322504460     2.107768650 
N2 N    -0.335273460    -0.367112390     2.696689620 
O1 O    -0.281330130    -0.331123570     2.355240340 
O2 O    -1.210186480    -0.465108080     4.015030550 
H1 H     1.382734490     0.271746170     0.538179940 
H2 H     1.111412270     0.254998310     1.069926690 
H3 H     1.316404180     0.259447200     0.918453300 
H4 H     1.401646760     0.195584020     0.358513910 
H5 H     1.197766970     0.191128270     0.509886120 
H6 H     1.127999780     0.176580350     1.119921770 
H7 H     0.924027240     0.172129750     1.271352530 
H8 H     1.216929200     0.113839420     0.555094490 
H9 H     1.012868370     0.109376220     0.706756610 
H10 H     0.943088860     0.094748290     1.316817740 
H11 H     0.739037040     0.090246130     1.468260210 
H12 H     1.032680870     0.032132230     0.750875510 
H13 H     0.828466460     0.027602570     0.902732950 
H14 H     0.758907310     0.012907140     1.512159880 
H15 H     0.554700620     0.008290390     1.663544150 
H16 H     0.849593260    -0.049553800     0.944408470 
H17 H     0.645063680    -0.054223150     1.096603870 
H18 H     0.575987670    -0.068958250     1.705047360 
H19 H     0.371492330    -0.073787320     1.856339420 
H20 H     0.668303920    -0.131212290     1.134782750 
H21 H     0.463225080    -0.136126970     1.287519460 
H22 H     0.394928610    -0.150816350     1.894792350 
H23 H     0.189986750    -0.156018740     2.045727210 
H24 H     0.489573590    -0.212787680     1.321437570 
H25 H     0.283740610    -0.218073220     1.474587220 
H26 H     0.214914520    -0.232970850     2.082594090 
H27 H     0.009631990    -0.238855490     2.229735700 
H28 H     0.312128490    -0.294880300     1.501811810 
H29 H     0.102655580    -0.300003850     1.664401810 
H30 H     0.056294770    -0.329654000     2.144391740 
H31 H    -0.259837670    -0.371630380     2.691984080 
H32 H    -0.547288140    -0.416845750     3.267557570 
H33 H    -0.935085010    -0.460071440     3.848567620 
H34 H    -1.008088580    -0.413767620     3.437201550 
H35 H    -0.622882730    -0.370860050     2.860022020 
H36 H    -1.508708430    -0.487606120     4.352198640 
H37 H    -1.357865690    -0.432288650     4.161059770 
H38 H    -1.302465300    -0.479772970     3.786826140 

#END
data_-168.023_gel26a_1_6008 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
_cell_length_a 238.9651
_cell_length_b 5.3098
_cell_length_c 7.7944
_cell_angle_alpha 139.3911
_cell_angle_beta 130.9221
_cell_angle_gamma 9.6614
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.722213780    27.028475570     4.746723940 
C2 C     0.731822920    26.091561720     4.465314410 
C3 C     0.801603690    22.346726960     3.900939160 
C4 C     0.811732360    21.383186260     3.615934410 
C5 C     0.881478400    17.640066990     3.051661180 
C6 C     0.891479480    16.682997230     2.767329500 
C7 C     0.961170980    12.941852540     2.202812430 
C8 C     0.970974960    11.994820550     1.919426740 
C9 C     1.040585990     8.256660650     1.354487230 
C10 C     1.050117700     7.323483680     1.072250260 
C11 C     1.119625060     3.589449580     0.506781770 
C12 C     1.128829290     2.672904310     0.225660650 
C13 C     1.198269650    -1.057847280    -0.339737010 
C14 C     1.206266950    -1.912824340    -0.613018130 
C15 C     1.315158290    -7.713115680    -1.322282830 
C16 C     1.431190370   -13.896018250    -2.137645330 
C17 C     1.488666720   -16.978781990    -2.660608280 
C18 C     1.544553730   -19.941250510    -2.978329890 
C19 C     1.544666490   -19.910680360    -2.781663960 
C20 C     1.487766870   -16.857948490    -2.262309180 
C21 C     1.431351670   -13.867755870    -1.941481910 
C22 C     1.604195570   -23.036402560    -2.941844200 
N1 N     1.271868590    -5.446593030    -1.152510560 
N2 N     1.376432320   -10.997551660    -1.841668030 
O1 O     1.299822920    -6.852207540    -1.036598660 
O2 O     1.602124830   -22.959817670    -3.125094980 
H1 H     0.672009280    29.713893530     5.148232550 
H2 H     0.751170780    25.675038260     4.724984250 
H3 H     0.736512740    26.397829810     4.581978180 
H4 H     0.701104250    27.542853090     4.503868860 
H5 H     0.715818190    26.816938440     4.644682410 
H6 H     0.817678190    21.617668690     3.720974800 
H7 H     0.832391930    20.891834660     3.861949590 
H8 H     0.780901070    22.840587600     3.655398950 
H9 H     0.795654940    22.112655530     3.796068350 
H10 H     0.897577070    16.909539200     2.871433430 
H11 H     0.912325810    16.181494550     3.011962960 
H12 H     0.860573530    18.144760900     2.807580650 
H13 H     0.875397620    17.412740120     2.947514800 
H14 H     0.977283510    12.210743010     2.022594660 
H15 H     0.992098190    11.478371260     2.162215030 
H16 H     0.939948680    13.463676520     1.960956200 
H17 H     0.954909470    12.723603200     2.099436550 
H18 H     1.056699810     7.525880360     1.174529520 
H19 H     1.071639010     6.785374950     1.312445780 
H20 H     1.018917700     8.802665450     1.115643880 
H21 H     1.034110680     8.048841920     1.251639020 
H22 H     1.135731170     2.859829040     0.327394040 
H23 H     1.150862460     2.106346100     0.462477600 
H24 H     1.097397690     4.166198150     0.271557160 
H25 H     1.112882880     3.394502570     0.404238290 
H26 H     1.214739560    -1.808116070    -0.522391830 
H27 H     1.229759610    -2.562377900    -0.388822710 
H28 H     1.175353760    -0.449314580    -0.571799280 
H29 H     1.191976930    -1.275349840    -0.443776140 
H30 H     1.286028340    -6.232801500    -1.396056330 
H31 H     1.383543200   -11.412996530    -2.039906120 
H32 H     1.489533560   -17.053274420    -2.820410660 
H33 H     1.588894390   -22.319789910    -3.381964590 
H34 H     1.486158740   -16.743713430    -2.097533930 
H35 H     1.387475320   -11.513336070    -1.539991360 
H36 H     1.653477610   -25.659281950    -3.271864600 
H37 H     1.591945650   -22.107869550    -2.664616400 
H38 H     1.571719310   -21.558810630    -2.768518860 

#END
data_-166.617_gel26a_60_90809 
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 53.8195
_cell_length_b 9.1273
_cell_length_c 9.4956
_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     0.420517400     0.143921700    -0.822559090 
C2 C     0.401730570     0.039902430    -0.754593910 
C3 C     0.380371240     0.119985650    -0.681073620 
C4 C     0.361472550     0.016905150    -0.612733410 
C5 C     0.340125320     0.096925610    -0.539152790 
C6 C     0.321263160    -0.006375110    -0.470768960 
C7 C     0.299911560     0.073359520    -0.396954660 
C8 C     0.281114840    -0.030251580    -0.328427890 
C9 C     0.259765830     0.049096560    -0.254209270 
C10 C     0.241069170    -0.054920880    -0.185374290 
C11 C     0.219741990     0.024025770    -0.110587260 
C12 C     0.201180860    -0.080448600    -0.041198570 
C13 C     0.179883400    -0.001612030     0.033789200 
C14 C     0.161595740    -0.108284970     0.102612420 
C15 C     0.120016070     0.003904940     0.103915370 
C16 C     0.079468680     0.132421530     0.147402990 
C17 C     0.065814260     0.208517490     0.249830540 
C18 C     0.042434990     0.263604800     0.220432610 
C19 C     0.031960510     0.244270070     0.087029340 
C20 C     0.045432780     0.168986840    -0.015353900 
C21 C     0.069007200     0.113265260     0.014191260 
C22 C    -0.002585150     0.284248780    -0.065415350 
N1 N     0.141184870    -0.036191490     0.175350470 
N2 N     0.103094110     0.079492760     0.186290210 
O1 O     0.116720750    -0.026814680    -0.019829860 
O2 O     0.008791920     0.302465360     0.068086860 
H1 H     0.435569130     0.083932800    -0.874053240 
H2 H     0.411611520     0.213013690    -0.902082910 
H3 H     0.428852940     0.216545980    -0.743964410 
H4 H     0.411236910    -0.030464580    -0.678070240 
H5 H     0.394084170    -0.033691060    -0.834912180 
H6 H     0.388002740     0.193686580    -0.600645870 
H7 H     0.370844440     0.190458460    -0.757587470 
H8 H     0.371018010    -0.053567660    -0.536314080 
H9 H     0.353850020    -0.056733280    -0.693215530 
H10 H     0.347741910     0.170604570    -0.458686960 
H11 H     0.330560510     0.167326200    -0.615544960 
H12 H     0.330844140    -0.076838280    -0.394484850 
H13 H     0.313643420    -0.080008750    -0.551259450 
H14 H     0.307527120     0.147091410    -0.316527750 
H15 H     0.290295530     0.143672490    -0.473211870 
H16 H     0.290756630    -0.100679240    -0.252356430 
H17 H     0.273487250    -0.103888170    -0.408887370 
H18 H     0.267390890     0.122926150    -0.173891250 
H19 H     0.250066270     0.119252910    -0.330248320 
H20 H     0.250803570    -0.125269750    -0.109605110 
H21 H     0.233413550    -0.128566990    -0.265725940 
H22 H     0.227387810     0.098026110    -0.030484750 
H23 H     0.209903240     0.093842540    -0.186281150 
H24 H     0.211061560    -0.150573390     0.034227030 
H25 H     0.193492560    -0.154151370    -0.121362710 
H26 H     0.187361160     0.072462760     0.114272910 
H27 H     0.169600970     0.066169180    -0.041320700 
H28 H     0.171213380    -0.178427180     0.178521940 
H29 H     0.153464400    -0.179072500     0.022284590 
H30 H     0.143501730    -0.008076220     0.276963210 
H31 H     0.107815680     0.098786100     0.287271200 
H32 H     0.073646490     0.224686750     0.354071800 
H33 H     0.031891920     0.322230580     0.299521950 
H34 H     0.037891900     0.152120490    -0.119653860 
H35 H     0.079357650     0.055189550    -0.065393750 
H36 H    -0.020656790     0.337282400    -0.057919780 
H37 H     0.008272900     0.336535400    -0.149158150 
H38 H    -0.005181320     0.168148510    -0.091022500 

#END
data_-166.023_gel26a_14_18902 
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 48.2164
_cell_length_b 9.2559
_cell_length_c 9.4402
_cell_angle_alpha 90.0
_cell_angle_beta 31.8793
_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     0.299374800     0.371047250     2.072222200 
C2 C     0.328074030     0.458277310     1.833942840 
C3 C     0.381076370     0.517235400     1.654160470 
C4 C     0.410106510     0.604668740     1.415178220 
C5 C     0.463079240     0.663699410     1.235498250 
C6 C     0.492013820     0.751217910     0.996799310 
C7 C     0.544970950     0.810536520     0.816961700 
C8 C     0.573744410     0.898257450     0.578814610 
C9 C     0.626665180     0.958054650     0.398860020 
C10 C     0.655201200     1.046162900     0.161595920 
C11 C     0.708048770     1.106607220    -0.018268080 
C12 C     0.736275830     1.195360260    -0.254281780 
C13 C     0.789056320     1.256027740    -0.433869370 
C14 C     0.816491890     1.344620260    -0.668090340 
C15 C     0.912098270     1.324479100    -1.050184630 
C16 C     1.008214310     1.343879050    -1.410419330 
C17 C     1.045863000     1.432862830    -1.509192190 
C18 C     1.098144650     1.392636930    -1.730262940 
C19 C     1.114430720     1.261514220    -1.859745440 
C20 C     1.077234830     1.172422110    -1.762495130 
C21 C     1.024496670     1.212916880    -1.539667810 
C22 C     1.185056000     1.099813870    -2.214697140 
N1 N     0.866737110     1.404276870    -0.841724090 
N2 N     0.955863000     1.393278000    -1.184983860 
O1 O     0.912914020     1.205328390    -1.109179010 
O2 O     1.166833150     1.231260080    -2.076302370 
H1 H     0.261664710     0.330470480     2.197300980 
H2 H     0.322774990     0.278019650     2.004422610 
H3 H     0.291721320     0.437094080     2.199325310 
H4 H     0.303264320     0.548527400     1.907167910 
H5 H     0.334197950     0.390685260     1.713439410 
H6 H     0.374996000     0.584917750     1.774567210 
H7 H     0.405938530     0.426975360     1.580771510 
H8 H     0.385204610     0.694833890     1.488753920 
H9 H     0.416174030     0.536920290     1.294889330 
H10 H     0.457027550     0.731423870     1.355742460 
H11 H     0.488013380     0.573574500     1.161689580 
H12 H     0.467038230     0.841245720     1.070738700 
H13 H     0.498076010     0.683460200     0.876541060 
H14 H     0.538925960     0.878212030     0.937216270 
H15 H     0.570002480     0.720562710     0.742589420 
H16 H     0.548645000     0.988065640     0.653387140 
H17 H     0.579822830     0.830531380     0.458475680 
H18 H     0.620608710     1.025602630     0.519249620 
H19 H     0.651854030     0.868327790     0.323562230 
H20 H     0.629916300     1.135653820     0.237145650 
H21 H     0.661337610     0.978546690     0.040969140 
H22 H     0.701963310     1.173907040     0.102398710 
H23 H     0.733491270     1.017287810    -0.095145800 
H24 H     0.710711010     1.284466690    -0.177130900 
H25 H     0.742476470     1.127942790    -0.375259880 
H26 H     0.783326330     1.323694690    -0.314889950 
H27 H     0.815197940     1.167661840    -0.516266460 
H28 H     0.791467230     1.434212290    -0.593651980 
H29 H     0.823884750     1.276493280    -0.792361860 
H30 H     0.867151370     1.501578040    -0.796009140 
H31 H     0.950495340     1.491611860    -1.118293840 
H32 H     1.033958750     1.535119970    -1.411204350 
H33 H     1.127201090     1.461369870    -1.806589010 
H34 H     1.088477260     1.070239780    -1.857768700 
H35 H     0.995875400     1.143579390    -1.465140040 
H36 H     1.227199480     1.097259320    -2.378210960 
H37 H     1.166700400     1.006022860    -2.084343730 
H38 H     1.177775160     1.095277940    -2.297476130 

#END
data_-165.941_gel26a_2_3583 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 33.9825
_cell_length_b 17.2532
_cell_length_c 5.539
_cell_angle_alpha 64.9781
_cell_angle_beta 122.1656
_cell_angle_gamma 155.1078
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.344102250    -0.268028510     3.274755660 
C2 C     0.371216580    -0.147600100     3.043367730 
C3 C     0.282382620    -0.262620470     2.748445850 
C4 C     0.308718400    -0.143454120     2.515430300 
C5 C     0.219948470    -0.258394620     2.220528130 
C6 C     0.246491700    -0.138938010     1.987782460 
C7 C     0.157892660    -0.253533670     1.692554020 
C8 C     0.184758880    -0.133668780     1.460180320 
C9 C     0.096410790    -0.247801430     1.164448340 
C10 C     0.123732640    -0.127405520     0.932498270 
C11 C     0.035688340    -0.241060990     0.636177370 
C12 C     0.063575260    -0.120074600     0.404582090 
C13 C    -0.024336650    -0.233593790     0.108223740 
C14 C     0.005406660    -0.109670230    -0.119929420 
C15 C    -0.145671200    -0.267685720    -0.476343500 
C16 C    -0.303180840    -0.449151510    -0.889866320 
C17 C    -0.373223360    -0.558376320    -1.164963080 
C18 C    -0.454306300    -0.634867400    -1.319356480 
C19 C    -0.467910980    -0.604422580    -1.202648030 
C20 C    -0.398722700    -0.496301320    -0.929230240 
C21 C    -0.316860930    -0.418942790    -0.773370260 
C22 C    -0.566207410    -0.656850040    -1.261973110 
N1 N    -0.076731930    -0.214125970    -0.404586110 
N2 N    -0.222604170    -0.376005100    -0.747922130 
O1 O    -0.137690980    -0.220831440    -0.314199100 
O2 O    -0.550113060    -0.685548920    -1.371380980 
H1 H     0.408855290    -0.182477180     3.482789520 
H2 H     0.282058560    -0.353368570     3.307790000 
H3 H     0.319559300    -0.363033280     3.211806070 
H4 H     0.435139660    -0.060200100     3.019818840 
H5 H     0.397673100    -0.050984570     3.114570610 
H6 H     0.255834900    -0.359386060     2.676941600 
H7 H     0.218355010    -0.350163220     2.771796310 
H8 H     0.372780490    -0.055897640     2.492369040 
H9 H     0.335244750    -0.046760750     2.587075000 
H10 H     0.193385250    -0.355140510     2.148852240 
H11 H     0.155891900    -0.345868350     2.243407740 
H12 H     0.310615020    -0.051370930     1.965203830 
H13 H     0.273020500    -0.042249110     2.059461010 
H14 H     0.131294240    -0.350344410     1.620917360 
H15 H     0.093790290    -0.340924610     1.714840120 
H16 H     0.248976220    -0.046109040     1.438396670 
H17 H     0.211274680    -0.036981250     1.531750670 
H18 H     0.069769120    -0.344725000     1.093030290 
H19 H     0.032241980    -0.335039730     1.185772120 
H20 H     0.188078890    -0.039890000     0.911888610 
H21 H     0.150201280    -0.030724040     1.003686400 
H22 H     0.008978620    -0.338178390     0.565211860 
H23 H    -0.028544410    -0.327943710     0.655939540 
H24 H     0.128069400    -0.032765310     0.385610560 
H25 H     0.090018370    -0.023346710     0.475241980 
H26 H    -0.051416670    -0.330895280     0.035333870 
H27 H    -0.088215100    -0.318093460     0.123950190 
H28 H     0.069398330    -0.022470550    -0.141721350 
H29 H     0.029197850    -0.016799990    -0.053129150 
H30 H    -0.085808000    -0.256417810    -0.541394050 
H31 H    -0.221554030    -0.406150530    -0.862855680 
H32 H    -0.363940140    -0.583644560    -1.259185180 
H33 H    -0.508309830    -0.719037760    -1.531745860 
H34 H    -0.407002520    -0.470035440    -0.832454240 
H35 H    -0.263591400    -0.335506520    -0.561896590 
H36 H    -0.634225830    -0.731465140    -1.427920250 
H37 H    -0.578565050    -0.713259140    -1.061093700 
H38 H    -0.502258460    -0.508309910    -1.223078330 

#END
data_-165.916_gel26a_14_17153 
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 27.0148
_cell_length_b 9.3569
_cell_length_c 9.2686
_cell_angle_alpha 90.0
_cell_angle_beta 78.129
_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     0.851771620     0.142010120     1.003198150 
C2 C     0.811270220     0.239959750     0.963311590 
C3 C     0.767895460     0.157958490     0.917793780 
C4 C     0.727173900     0.254972350     0.877668570 
C5 C     0.683822080     0.173035640     0.832073330 
C6 C     0.643171260     0.270272770     0.791855690 
C7 C     0.599803560     0.188616230     0.746035210 
C8 C     0.559279670     0.286171990     0.705584470 
C9 C     0.515906560     0.204897220     0.659357440 
C10 C     0.475576470     0.302874730     0.618457880 
C11 C     0.432234570     0.222002380     0.571630330 
C12 C     0.392166290     0.320461500     0.529982640 
C13 C     0.348880580     0.239705270     0.482910700 
C14 C     0.309346980     0.340361950     0.441487690 
C15 C     0.226289590     0.221769100     0.497757700 
C16 C     0.144964330     0.087957680     0.509380000 
C17 C     0.116800320     0.011876860     0.423500350 
C18 C     0.070409190    -0.047345080     0.485894700 
C19 C     0.050702130    -0.032302000     0.636816130 
C20 C     0.078505980     0.042946590     0.722896660 
C21 C     0.125283390     0.102831790     0.660084670 
C22 C    -0.016889580    -0.080639930     0.840526920 
N1 N     0.267805430     0.266350670     0.395559360 
N2 N     0.191753420     0.145235060     0.436952630 
O1 O     0.220892410     0.249613740     0.628768100 
O2 O     0.004636090    -0.094391080     0.688228380 
H1 H     0.882286120     0.203264050     1.035025660 
H2 H     0.835678190     0.071809100     1.095378750 
H3 H     0.868591060     0.073947300     0.909939060 
H4 H     0.828608810     0.311504160     0.873338740 
H5 H     0.795862630     0.309101680     1.057348430 
H6 H     0.783272680     0.088709720     0.823665070 
H7 H     0.750516550     0.086306510     1.007784010 
H8 H     0.744592050     0.326627460     0.787747460 
H9 H     0.711816510     0.324161630     0.971838330 
H10 H     0.699168170     0.103805370     0.737927870 
H11 H     0.666363270     0.101446930     0.921996170 
H12 H     0.660663590     0.341924870     0.702020580 
H13 H     0.627819720     0.339457870     0.886029830 
H14 H     0.615148790     0.119333720     0.651929660 
H15 H     0.582237590     0.117102980     0.835896490 
H16 H     0.576899040     0.357800710     0.615877040 
H17 H     0.543911700     0.355358590     0.799738480 
H18 H     0.531273900     0.135520410     0.565346840 
H19 H     0.498165720     0.133520420     0.749120570 
H20 H     0.493389290     0.374443930     0.528922530 
H21 H     0.460149890     0.372065520     0.712542940 
H22 H     0.447649330     0.152461370     0.477805260 
H23 H     0.414201550     0.150929370     0.661250090 
H24 H     0.410284210     0.391841110     0.440581100 
H25 H     0.376669950     0.389702320     0.623925490 
H26 H     0.363949450     0.170058470     0.388938930 
H27 H     0.329910720     0.170523910     0.572616880 
H28 H     0.326923240     0.411705280     0.351973730 
H29 H     0.292990820     0.406660940     0.536175880 
H30 H     0.271484600     0.240582720     0.288482870 
H31 H     0.200212930     0.128594120     0.327233610 
H32 H     0.131496840    -0.000990530     0.306056490 
H33 H     0.048661030    -0.105962430     0.419585140 
H34 H     0.064393320     0.056557640     0.839994780 
H35 H     0.146654130     0.160864700     0.727163700 
H36 H    -0.053027690    -0.136271870     0.857861640 
H37 H     0.007028600    -0.130106670     0.908883360 
H38 H    -0.023347750     0.031659360     0.872594000 

#END
data_-165.764_gel26a_2_15398 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 7.8746
_cell_length_b 6.7259
_cell_length_c 26.8845
_cell_angle_alpha 70.2188
_cell_angle_beta 59.2933
_cell_angle_gamma 91.1887
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     1.046039110     0.870414540     0.269290310 
C2 C     1.028503680     0.630659210     0.279887400 
C3 C     0.944132650     0.477594770     0.348574100 
C4 C     0.925986480     0.237350940     0.359679200 
C5 C     0.841763390     0.084296700     0.428330920 
C6 C     0.823944520    -0.155844510     0.439309460 
C7 C     0.740000320    -0.309250400     0.507907580 
C8 C     0.722802170    -0.549200150     0.518689240 
C9 C     0.639368170    -0.703078200     0.587206960 
C10 C     0.623181630    -0.942752990     0.597715000 
C11 C     0.540530320    -1.097081220     0.666127060 
C12 C     0.525811820    -1.336417030     0.676303270 
C13 C     0.443559240    -1.490728220     0.744646670 
C14 C     0.430630960    -1.729040820     0.753639360 
C15 C     0.147973970    -1.960724400     0.862385720 
C16 C    -0.094290140    -2.202785990     0.977616150 
C17 C    -0.104347600    -2.321926620     1.033528410 
C18 C    -0.288834110    -2.437351980     1.089740890 
C19 C    -0.469740610    -2.436979820     1.091761380 
C20 C    -0.460984260    -2.318689590     1.036421160 
C21 C    -0.274995500    -2.202340030     0.979680780 
C22 C    -0.830954080    -2.561206140     1.153386010 
N1 N     0.353676590    -1.879537580     0.818219930 
N2 N     0.099831490    -2.090489290     0.922401760 
O1 O     0.022605210    -1.922052710     0.848788580 
O2 O    -0.644198250    -2.555854100     1.149394360 
H1 H     1.106879820     0.975974740     0.219893920 
H2 H     0.897460050     0.899207930     0.298540630 
H3 H     1.146787550     0.921805770     0.281709050 
H4 H     1.178286930     0.607351180     0.248904840 
H5 H     0.930584160     0.584738610     0.265773000 
H6 H     1.042031570     0.523401290     0.362756310 
H7 H     0.794203290     0.500812720     0.379625490 
H8 H     1.075939880     0.214327670     0.328585240 
H9 H     0.828071620     0.191680710     0.345493680 
H10 H     0.939615050     0.129959020     0.442537550 
H11 H     0.691741370     0.107121460     0.459442070 
H12 H     0.973982260    -0.178520540     0.408141180 
H13 H     0.726037150    -0.201486540     0.425119470 
H14 H     0.837793320    -0.263538970     0.522127900 
H15 H     0.589823430    -0.286931000     0.539099510 
H16 H     0.872996090    -0.571282640     0.487400780 
H17 H     0.624877460    -0.594920150     0.504515540 
H18 H     0.737086920    -0.657170470     0.601428350 
H19 H     0.488941220    -0.681589660     0.618526510 
H20 H     0.773625750    -0.963931110     0.566252540 
H21 H     0.525191950    -0.988748910     0.583599530 
H22 H     0.638120790    -1.050784440     0.680340480 
H23 H     0.389693780    -1.077011650     0.697635060 
H24 H     0.676745210    -1.356194510     0.644606240 
H25 H     0.427817860    -1.382801600     0.662247980 
H26 H     0.540473200    -1.445835700     0.759223670 
H27 H     0.291229920    -1.475409260     0.776436470 
H28 H     0.580441730    -1.751022250     0.722463100 
H29 H     0.328931680    -1.776763530     0.741221200 
H30 H     0.453400790    -1.912366330     0.830930170 
H31 H     0.216102550    -2.110935220     0.928103900 
H32 H     0.034572210    -2.324109620     1.032902190 
H33 H    -0.296558340    -2.529422660     1.132875340 
H34 H    -0.597996880    -2.314798400     1.036306620 
H35 H    -0.269056350    -2.110998890     0.937014890 
H36 H    -0.948675350    -2.663878960     1.202483730 
H37 H    -0.859747360    -2.398391160     1.141120560 
H38 H    -0.834657480    -2.631662160     1.122570750 

#END
data_-165.688_gel26a_19_17382 
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 4.7291
_cell_length_b 11.7559
_cell_length_c 40.9489
_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     0.463999280     0.401354540     0.589711230 
C2 C     0.298389220     0.299119240     0.576735220 
C3 C     0.453292050     0.235466680     0.549469890 
C4 C     0.289391970     0.133035710     0.536318370 
C5 C     0.444104450     0.069423220     0.509047690 
C6 C     0.279675740    -0.032906730     0.495911910 
C7 C     0.433745130    -0.096594270     0.468608860 
C8 C     0.268467620    -0.198715300     0.455481680 
C9 C     0.421576590    -0.262460490     0.428118230 
C10 C     0.255054340    -0.364236170     0.414980300 
C11 C     0.406997240    -0.427946940     0.387527570 
C12 C     0.238852370    -0.529218440     0.374339470 
C13 C     0.390365870    -0.592814510     0.346859310 
C14 C     0.217955430    -0.693552000     0.334018140 
C15 C     0.545623750    -0.841165770     0.314422340 
C16 C     0.867855220    -0.976431480     0.284936480 
C17 C     0.970093490    -1.005773380     0.253895670 
C18 C     1.162100780    -1.093464650     0.249904060 
C19 C     1.258320720    -1.154704350     0.276968290 
C20 C     1.158041880    -1.125920170     0.307893360 
C21 C     0.964202440    -1.037551810     0.311951140 
C22 C     1.548679090    -1.304584580     0.297330380 
N1 N     0.356597590    -0.755349730     0.307726600 
N2 N     0.671979990    -0.886306820     0.286808980 
O1 O     0.591928860    -0.873949060     0.342204990 
O2 O     1.447516870    -1.239778450     0.270575660 
H1 H     0.348512920     0.445288580     0.609095770 
H2 H     0.668465660     0.374977330     0.599676330 
H3 H     0.505355120     0.463013050     0.570267270 
H4 H     0.091909940     0.327466990     0.567672060 
H5 H     0.254344920     0.240000170     0.596810760 
H6 H     0.497491420     0.294560060     0.529359330 
H7 H     0.660012840     0.207060570     0.558518030 
H8 H     0.082677550     0.161513500     0.527295880 
H9 H     0.245309320     0.073992710     0.556438980 
H10 H     0.488287720     0.128450260     0.488926180 
H11 H     0.650738810     0.040845780     0.518063700 
H12 H     0.072958170    -0.004286110     0.486927960 
H13 H     0.235598170    -0.091937230     0.516034800 
H14 H     0.478050400    -0.037560820     0.448491890 
H15 H     0.640300350    -0.125402470     0.477587170 
H16 H     0.061763760    -0.169843420     0.446558370 
H17 H     0.224388530    -0.257777500     0.475595860 
H18 H     0.466096180    -0.203369620     0.408020840 
H19 H     0.627980510    -0.291648810     0.437036410 
H20 H     0.048398500    -0.334973320     0.406143050 
H21 H     0.210973700    -0.423411530     0.435063950 
H22 H     0.451895810    -0.368740140     0.367471020 
H23 H     0.613027220    -0.457791150     0.396354770 
H24 H     0.032347760    -0.499299930     0.365602620 
H25 H     0.194647570    -0.588532580     0.394377280 
H26 H     0.435670000    -0.534273500     0.326668040 
H27 H     0.593935820    -0.625047600     0.355571730 
H28 H     0.011936130    -0.664720950     0.325103700 
H29 H     0.180321210    -0.753995390     0.353769900 
H30 H     0.324808420    -0.729321390     0.284608700 
H31 H     0.617631230    -0.852411100     0.265100940 
H32 H     0.897881930    -0.959143830     0.232576550 
H33 H     1.240817310    -1.116155270     0.225944820 
H34 H     1.228145640    -1.171495830     0.329354490 
H35 H     0.887413730    -1.015579500     0.335925630 
H36 H     1.693485500    -1.367013290     0.287034080 
H37 H     1.662662520    -1.251362180     0.314932510 
H38 H     1.376118160    -1.348816600     0.309907340 

#END
data_-165.688_gel26a_19_19462 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 40.9489
_cell_length_b 11.7559
_cell_length_c 4.7291
_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     0.839711270    -0.151354370     0.786000730 
C2 C     0.826735240    -0.049119150     0.951610950 
C3 C     0.799469920     0.014533410     0.796707970 
C4 C     0.786318380     0.116964290     0.960608200 
C5 C     0.759047710     0.180576780     0.805895590 
C6 C     0.745911910     0.282906640     0.970324450 
C7 C     0.718608870     0.346594180     0.816254920 
C8 C     0.705481660     0.448715120     0.981532590 
C9 C     0.678118220     0.512460310     0.828423470 
C10 C     0.664980280     0.614235910     0.994945880 
C11 C     0.637527550     0.677946660     0.843002830 
C12 C     0.624339430     0.779218080     1.011147870 
C13 C     0.596859280     0.842814150     0.859634220 
C14 C     0.584018090     0.943551550     1.032044820 
C15 C     0.564422310     1.091165340     0.704376490 
C16 C     0.534936470     1.226431050     0.382144920 
C17 C     0.503895660     1.255772940     0.279906430 
C18 C     0.499904070     1.343464220     0.087899190 
C19 C     0.526968310     1.404703930    -0.008320490 
C20 C     0.557893380     1.375919750     0.091958550 
C21 C     0.561951150     1.287551390     0.285797960 
C22 C     0.547330430     1.554584180    -0.298678570 
N1 N     0.557726550     1.005349280     0.893402530 
N2 N     0.536808960     1.136306370     0.578020070 
O1 O     0.592204970     1.123948630     0.658071620 
O2 O     0.520575700     1.489778040    -0.197516610 
H1 H     0.859095810    -0.195288400     0.901487200 
H2 H     0.849676400    -0.124977120     0.581534370 
H3 H     0.820267320    -0.213012850     0.744644620 
H4 H     0.817672070    -0.077466950     1.158090200 
H5 H     0.846810780     0.009999890     0.995655510 
H6 H     0.779359370    -0.044559950     0.752508330 
H7 H     0.808518080     0.042939550     0.589987200 
H8 H     0.777295870     0.088486460     1.167322590 
H9 H     0.806438990     0.176007260     1.004691120 
H10 H     0.738926210     0.121549750     0.761712040 
H11 H     0.768063740     0.209154250     0.599261250 
H12 H     0.736927940     0.254285980     1.177041990 
H13 H     0.766034800     0.341937120     1.014402290 
H14 H     0.698491900     0.287560750     0.771949390 
H15 H     0.727587200     0.375402420     0.609699730 
H16 H     0.696558340     0.419843200     1.188236420 
H17 H     0.725595840     0.507777300     1.025611950 
H18 H     0.658020840     0.453369470     0.783903610 
H19 H     0.687036420     0.541648660     0.622019580 
H20 H     0.656143010     0.584973020     1.201601700 
H21 H     0.685063930     0.673411240     1.039026800 
H22 H     0.617471000     0.618739890     0.798104010 
H23 H     0.646354780     0.707790920     0.636972890 
H24 H     0.615602570     0.749299540     1.217652450 
H25 H     0.644377240     0.838532200     1.055352930 
H26 H     0.576668010     0.784273160     0.814329820 
H27 H     0.605571720     0.875047280     0.656064310 
H28 H     0.575103630     0.914720460     1.238064100 
H29 H     0.603769850     1.003994920     1.069679310 
H30 H     0.534608650     0.979320930     0.925191500 
H31 H     0.515100910     1.102410650     0.632368640 
H32 H     0.482576540     1.209143380     0.352117790 
H33 H     0.475944830     1.366154830     0.009182490 
H34 H     0.579354520     1.421495420     0.021855000 
H35 H     0.585925630     1.265579080     0.362586820 
H36 H     0.537034140     1.617012890    -0.443485000 
H37 H     0.564932570     1.501361830    -0.412662020 
H38 H     0.559907380     1.598816140    -0.126117400 

#END
data_-165.676_gel26a_2_10557 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 24.5349
_cell_length_b 7.8745
_cell_length_c 10.2484
_cell_angle_alpha 41.0032
_cell_angle_beta 84.5184
_cell_angle_gamma 104.8117
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.230714670     0.637084540     1.678314830 
C2 C     0.220113430     0.838088900     1.470344120 
C3 C     0.151429260     0.769419940     1.523340490 
C4 C     0.140320060     0.969286230     1.316405300 
C5 C     0.071670860     0.900824950     1.369306930 
C6 C     0.060688200     1.101168970     1.162094700 
C7 C    -0.007907390     1.033445400     1.214483810 
C8 C    -0.018693180     1.234612410     1.006872380 
C9 C    -0.087208400     1.168031920     1.058548140 
C10 C    -0.097720570     1.370482800     0.850390740 
C11 C    -0.166130140     1.305346460     0.901299280 
C12 C    -0.176310500     1.509589990     0.692485350 
C13 C    -0.244651390     1.444972670     0.743204900 
C14 C    -0.253648330     1.652349890     0.531863560 
C15 C    -0.362391600     1.383894580     0.626425710 
C16 C    -0.477618230     1.153246020     0.730060560 
C17 C    -0.533527850     1.150517270     0.778655400 
C18 C    -0.589738940     0.969035210     0.831872410 
C19 C    -0.591760640     0.783707120     0.838312440 
C20 C    -0.536423040     0.784841180     0.790583370 
C21 C    -0.479684070     0.967957020     0.736706830 
C22 C    -0.653384930     0.423467120     0.898971040 
N1 N    -0.318226620     1.596740950     0.575108830 
N2 N    -0.422405130     1.345496310     0.676708750 
O1 O    -0.348795890     1.247039710     0.624311080 
O2 O    -0.649392100     0.612862660     0.892341630 
H1 H     0.280109130     0.691149420     1.635685230 
H2 H     0.201466520     0.401220210     1.794866430 
H3 H     0.218298930     0.661620650     1.766960890 
H4 H     0.251093770     1.073136400     1.354081250 
H5 H     0.234224790     0.814302360     1.382081740 
H6 H     0.137250100     0.793164380     1.611692220 
H7 H     0.120380090     0.534178790     1.639719790 
H8 H     0.171411790     1.204441880     1.200092980 
H9 H     0.154502520     0.945396170     1.228179970 
H10 H     0.057467270     0.924617460     1.457587710 
H11 H     0.040561920     0.665764770     1.485472300 
H12 H     0.091854270     1.336210410     1.045906640 
H13 H     0.074875150     1.077267160     1.073884130 
H14 H    -0.022124670     1.057102770     1.302854810 
H15 H    -0.039097120     0.798574110     1.330386190 
H16 H     0.012593070     1.469456860     0.890917340 
H17 H    -0.004522520     1.210738640     0.918632720 
H18 H    -0.101426740     1.191416640     1.147118630 
H19 H    -0.118525740     0.933486180     1.174002460 
H20 H    -0.066260320     1.605021090     0.734818090 
H21 H    -0.083608140     1.346703510     0.762049820 
H22 H    -0.180340510     1.328229790     0.990234930 
H23 H    -0.197635950     1.071433090     1.015899980 
H24 H    -0.144615660     1.743686130     0.577609630 
H25 H    -0.162258260     1.486074710     0.603936320 
H26 H    -0.259225350     1.467856580     0.831827030 
H27 H    -0.276439100     1.213753080     0.853900320 
H28 H    -0.222474270     1.886485760     0.416346210 
H29 H    -0.241233110     1.623193590     0.446887930 
H30 H    -0.330935590     1.703880990     0.580406780 
H31 H    -0.428106260     1.470815540     0.673364720 
H32 H    -0.532900660     1.292879230     0.774588780 
H33 H    -0.632871350     0.967122480     0.869204030 
H34 H    -0.536309480     0.644159680     0.794135840 
H35 H    -0.437020200     0.967877130     0.700051400 
H36 H    -0.702481150     0.310228830     0.943594110 
H37 H    -0.641117460     0.256399800     1.024995440 
H38 H    -0.622574040     0.551828480     0.736065910 

#END
data_-165.673_gel26a_61_14964 
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 53.2205
_cell_length_b 10.3516
_cell_length_c 8.2996
_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     0.608135060     0.090208850     1.178623410 
C2 C     0.593014580     0.150000480     1.040742210 
C3 C     0.566799450     0.090972070     1.022385270 
C4 C     0.551518070     0.150122080     0.884770510 
C5 C     0.525315840     0.091082080     0.866320670 
C6 C     0.510078560     0.150293640     0.728528770 
C7 C     0.483878990     0.091317400     0.709673390 
C8 C     0.468715090     0.150548630     0.571563320 
C9 C     0.442524910     0.091596350     0.552083110 
C10 C     0.427467690     0.150763690     0.413452640 
C11 C     0.401301670     0.091724080     0.393196530 
C12 C     0.386380960     0.150668780     0.253802650 
C13 C     0.360243200     0.091542930     0.233301280 
C14 C     0.345701990     0.151799190     0.093006660 
C15 C     0.300499060     0.143714640     0.154674380 
C16 C     0.254402340     0.100059980     0.189969600 
C17 C     0.235005640     0.015484880     0.145488770 
C18 C     0.210768200     0.032794730     0.201736540 
C19 C     0.205171670     0.135645870     0.304775260 
C20 C     0.224354530     0.219955150     0.349710340 
C21 C     0.248804940     0.202668610     0.292962320 
C22 C     0.174198690     0.248424990     0.457427530 
N1 N     0.320788070     0.096905290     0.070220420 
N2 N     0.278521800     0.075712090     0.126763140 
O1 O     0.302073770     0.237302330     0.243641060 
O2 O     0.180712430     0.144821800     0.353832870 
H1 H     0.626763700     0.133945080     1.188856650 
H2 H     0.598528780     0.103257820     1.294066520 
H3 H     0.610697720    -0.013653080     1.160312910 
H4 H     0.603338050     0.138491400     0.927316710 
H5 H     0.591205990     0.254357720     1.060162820 
H6 H     0.568585830    -0.013492090     1.002934790 
H7 H     0.556451180     0.102439170     1.135867320 
H8 H     0.561886850     0.138677770     0.771379270 
H9 H     0.549738920     0.254561450     0.904315200 
H10 H     0.527087850    -0.013365280     0.846816240 
H11 H     0.514931040     0.102588940     0.979632080 
H12 H     0.520484710     0.138861710     0.615276910 
H13 H     0.508302100     0.254730110     0.748085150 
H14 H     0.485648620    -0.013141280     0.690239550 
H15 H     0.473445290     0.102887560     0.822787440 
H16 H     0.479183850     0.139115100     0.458546130 
H17 H     0.466930380     0.254982270     0.591087320 
H18 H     0.444302120    -0.012880730     0.532816530 
H19 H     0.432012170     0.103279750     0.664867700 
H20 H     0.438030060     0.139299750     0.300790300 
H21 H     0.425653540     0.255188190     0.432864350 
H22 H     0.403096800    -0.012777790     0.374246200 
H23 H     0.390661350     0.103657440     0.505395100 
H24 H     0.397083040     0.139017920     0.141648600 
H25 H     0.384532930     0.255078110     0.272997010 
H26 H     0.361862940    -0.012952730     0.214005080 
H27 H     0.349253910     0.105178740     0.343445790 
H28 H     0.356138740     0.140307540    -0.019678850 
H29 H     0.343297970     0.255101280     0.114188230 
H30 H     0.318987710     0.018789750    -0.000993230 
H31 H     0.279458020    -0.000109690     0.050893120 
H32 H     0.238990770    -0.065016940     0.065581950 
H33 H     0.195797300    -0.032424480     0.167301130 
H34 H     0.220683390     0.300483080     0.429290130 
H35 H     0.263578570     0.268107890     0.328153910 
H36 H     0.154169120     0.238300740     0.480926000 
H37 H     0.184495270     0.243538590     0.571651030 
H38 H     0.177731630     0.342233190     0.400497080 

#END
data_-165.673_gel26a_61_13855 
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 53.2205
_cell_length_b 10.3516
_cell_length_c 8.2996
_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     0.891864940     0.590208810     0.321376830 
C2 C     0.906985410     0.650000450     0.459257960 
C3 C     0.933200540     0.590972040     0.477614880 
C4 C     0.948481920     0.650122080     0.615229570 
C5 C     0.974684150     0.591082060     0.633679390 
C6 C     0.989921440     0.650293650     0.771471220 
C7 C     1.016121010     0.591317400     0.790326590 
C8 C     1.031284910     0.650548650     0.928436580 
C9 C     1.057475090     0.591596360     0.947916770 
C10 C     1.072532310     0.650763730     1.086547170 
C11 C     1.098698330     0.591724100     1.106803270 
C12 C     1.113619040     0.650668830     1.246197070 
C13 C     1.139756810     0.591542970     1.266698420 
C14 C     1.154298010     0.651799250     1.406992970 
C15 C     1.199500940     0.643714690     1.345325240 
C16 C     1.245597660     0.600060010     1.310030010 
C17 C     1.264994370     0.515484910     1.354510820 
C18 C     1.289231800     0.532794740     1.298263050 
C19 C     1.294828330     0.635645880     1.195224340 
C20 C     1.275645480     0.719955160     1.150289260 
C21 C     1.251195060     0.702668630     1.207037290 
C22 C     1.325801320     0.748424980     1.042572060 
N1 N     1.179211930     0.596905350     1.429779190 
N2 N     1.221478210     0.575712130     1.373236470 
O1 O     1.197926240     0.737302370     1.256358570 
O2 O     1.319287570     0.644821790     1.146166720 
H1 H     0.873236290     0.633945050     0.311143590 
H2 H     0.901471210     0.603257760     0.205933750 
H3 H     0.889302270     0.486346870     0.339687350 
H4 H     0.896661940     0.638491390     0.572683420 
H5 H     0.908794000     0.754357710     0.439837320 
H6 H     0.931414170     0.486507880     0.497065380 
H7 H     0.943548820     0.602439120     0.364132850 
H8 H     0.938113150     0.638677780     0.728620780 
H9 H     0.950261070     0.754561460     0.595684850 
H10 H     0.972912140     0.486634700     0.653183840 
H11 H     0.985068960     0.602588910     0.520368010 
H12 H     0.979515290     0.638861730     0.884723040 
H13 H     0.991697900     0.754730120     0.751914820 
H14 H     1.014351380     0.486858720     0.809760450 
H15 H     1.026554710     0.602887540     0.677212570 
H16 H     1.020816150     0.639115130     1.041453740 
H17 H     1.033069620     0.754982300     0.908912560 
H18 H     1.055697880     0.487119280     0.967183380 
H19 H     1.067987820     0.603279740     0.835132210 
H20 H     1.061969940     0.639299800     1.199209480 
H21 H     1.074346460     0.755188230     1.067135440 
H22 H     1.096903200     0.487222230     1.125753620 
H23 H     1.109338650     0.603657450     0.994604730 
H24 H     1.102916960     0.639017980     1.358351090 
H25 H     1.115467080     0.755078170     1.227002700 
H26 H     1.138137060     0.487047300     1.285994640 
H27 H     1.150746090     0.605178770     1.156553940 
H28 H     1.143861270     0.640307620     1.519678460 
H29 H     1.156702030     0.755101350     1.385811380 
H30 H     1.181012300     0.518789810     1.500992840 
H31 H     1.220541990     0.499890350     1.449106480 
H32 H     1.261009240     0.434983090     1.434417640 
H33 H     1.304202710     0.467575530     1.332698450 
H34 H     1.279316620     0.800483090     1.070709480 
H35 H     1.236421440     0.768107920     1.171845710 
H36 H     1.345830880     0.738300720     1.019073590 
H37 H     1.315504730     0.743538560     0.928348610 
H38 H     1.322268370     0.842233190     1.099502470 

#END
data_-165.389_gel26a_2_11527 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 5.4725
_cell_length_b 8.1004
_cell_length_c 47.3142
_cell_angle_alpha 49.8733
_cell_angle_beta 90.3235
_cell_angle_gamma 123.3381
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -0.435230270    -1.181618450     0.247089880 
C2 C    -0.328757710    -0.976493810     0.199131580 
C3 C     0.066781240    -0.698679380     0.166080950 
C4 C     0.176043750    -0.491983080     0.118005820 
C5 C     0.571449780    -0.214334930     0.084957630 
C6 C     0.680110810    -0.008140690     0.036906240 
C7 C     1.075420790     0.269485790     0.003788420 
C8 C     1.183195920     0.474796170    -0.044220710 
C9 C     1.578396710     0.752284090    -0.077432820 
C10 C     1.685014530     0.956253640    -0.125382810 
C11 C     2.080091280     1.233354340    -0.158686030 
C12 C     2.185427520     1.435522200    -0.206565380 
C13 C     2.580299150     1.712221590    -0.239865370 
C14 C     2.679348240     1.910551070    -0.287498650 
C15 C     3.227200060     2.448591570    -0.336371010 
C16 C     3.836150950     2.975466320    -0.387989950 
C17 C     4.186815180     3.155900490    -0.414337660 
C18 C     4.449479480     3.458127850    -0.438395060 
C19 C     4.369051940     3.589622350    -0.436795950 
C20 C     4.021282970     3.411615280    -0.410633890 
C21 C     3.756069830     3.106831040    -0.386380200 
C22 C     4.575432520     4.032314630    -0.461281800 
N1 N     3.053905880     2.174913660    -0.319901340 
N2 N     3.584972560     2.670216200    -0.364689950 
O1 O     3.074602730     2.488487390    -0.326889790 
O2 O     4.645962870     3.889429330    -0.461698960 
H1 H    -0.718602040    -1.378203540     0.269960410 
H2 H    -0.344996300    -1.052339030     0.252680300 
H3 H    -0.322029480    -1.272080410     0.255764600 
H4 H    -0.429796910    -1.113318520     0.194705550 
H5 H    -0.451716380    -0.894665890     0.191601890 
H6 H     0.190154210    -0.780304890     0.173584790 
H7 H     0.168171470    -0.561579100     0.170486980 
H8 H     0.074371960    -0.629308880     0.113640340 
H9 H     0.052613120    -0.410451570     0.110529330 
H10 H     0.694974430    -0.295783270     0.092432050 
H11 H     0.673231780    -0.076787870     0.089283460 
H12 H     0.577967300    -0.145895830     0.032612630 
H13 H     0.556651310     0.073357860     0.029435510 
H14 H     1.198985370     0.188063930     0.011272450 
H15 H     1.177711520     0.407638550     0.008011320 
H16 H     1.080292740     0.336309140    -0.048391920 
H17 H     1.059840830     0.556389380    -0.051707580 
H18 H     1.701886330     0.670772250    -0.069909220 
H19 H     1.681495410     0.891421510    -0.073378960 
H20 H     1.581013850     0.816656770    -0.129368080 
H21 H     1.562030370     1.038185270    -0.132926770 
H22 H     2.203382570     1.151635280    -0.151083670 
H23 H     2.184405110     1.374115790    -0.154919530 
H24 H     2.079984620     1.294187480    -0.210265340 
H25 H     2.062881690     1.517835010    -0.214189440 
H26 H     2.705698160     1.632573740    -0.232553790 
H27 H     2.686561930     1.857972100    -0.237042430 
H28 H     2.576888510     1.772434010    -0.291651950 
H29 H     2.564855560     1.998990740    -0.295436710 
H30 H     3.186909020     2.147600660    -0.327948070 
H31 H     3.682381520     2.611291370    -0.370077830 
H32 H     4.254448000     3.057737540    -0.415988380 
H33 H     4.720057750     3.597418090    -0.458753050 
H34 H     3.949880200     3.506030490    -0.408624280 
H35 H     3.487503470     2.970064750    -0.366174360 
H36 H     4.827400880     4.266775610    -0.483053060 
H37 H     4.452502740     3.914205440    -0.428095010 
H38 H     4.407526780     4.039612000    -0.473694550 

#END
data_-165.265_gel26a_14_5991 
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 43.8302
_cell_length_b 8.9458
_cell_length_c 9.2152
_cell_angle_alpha 90.0
_cell_angle_beta 40.2114
_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     0.705318780     0.691448030     0.921435610 
C2 C     0.743497280     0.788565280     0.852943800 
C3 C     0.784295550     0.697414860     0.768530540 
C4 C     0.822680860     0.793526960     0.699579390 
C5 C     0.863458030     0.702438950     0.615312420 
C6 C     0.901777630     0.798780160     0.546669950 
C7 C     0.942570840     0.707966180     0.462600780 
C8 C     0.980772730     0.804627810     0.394572530 
C9 C     1.021573060     0.714180210     0.310917260 
C10 C     1.059595640     0.811256280     0.243913620 
C11 C     1.100369670     0.721183390     0.160969200 
C12 C     1.138150610     0.818716460     0.095483110 
C13 C     1.178873140     0.728748450     0.012948070 
C14 C     1.216153330     0.828616830    -0.051077820 
C15 C     1.293649840     0.705275150    -0.351365790 
C16 C     1.369717050     0.562683070    -0.603814450 
C17 C     1.396450190     0.475313380    -0.604753070 
C18 C     1.439599230     0.416141050    -0.802503740 
C19 C     1.457388710     0.442578250    -1.006266920 
C20 C     1.430991630     0.529078110    -1.006611380 
C21 C     1.387482940     0.588928520    -0.807302070 
C22 C     1.519767640     0.404688540    -1.402857300 
N1 N     1.255240290     0.745856760    -0.129286050 
N2 N     1.326239440     0.619068750    -0.395179580 
O1 O     1.298129550     0.744211930    -0.493879100 
O2 O     1.500281250     0.379579860    -1.192472510 
H1 H     0.676619680     0.759276790     0.981276810 
H2 H     0.719941870     0.624595200     0.779580240 
H3 H     0.689945360     0.614040220     1.056189630 
H4 H     0.727698390     0.857050520     0.996258790 
H5 H     0.757545030     0.867227070     0.721514160 
H6 H     0.770276600     0.618633050     0.899956620 
H7 H     0.800132080     0.628816840     0.625075910 
H8 H     0.806807270     0.862135490     0.843077540 
H9 H     0.836681020     0.872250830     0.568164720 
H10 H     0.849468340     0.623673660     0.746667950 
H11 H     0.879369760     0.633897840     0.471701900 
H12 H     0.885834130     0.867395830     0.690293870 
H13 H     0.915772280     0.877500330     0.415267280 
H14 H     0.928581750     0.629149440     0.593910620 
H15 H     0.958583280     0.639493840     0.318752110 
H16 H     0.964709630     0.873235090     0.538429730 
H17 H     0.994782870     0.883347160     0.263143150 
H18 H     1.007562770     0.635273530     0.442189300 
H19 H     1.037749850     0.645834160     0.166678610 
H20 H     1.043350490     0.879824170     0.388146350 
H21 H     1.073661000     0.889971860     0.112386060 
H22 H     1.086314010     0.642122140     0.292180850 
H23 H     1.116821010     0.653128970     0.016064210 
H24 H     1.121618900     0.887111680     0.240436780 
H25 H     1.152281980     0.897469810    -0.036098660 
H26 H     1.165142160     0.649548800     0.143313730 
H27 H     1.196202830     0.662628550    -0.134564260 
H28 H     1.200129580     0.896939380     0.092444950 
H29 H     1.231085300     0.904318050    -0.186055680 
H30 H     1.252263160     0.710858240    -0.015110780 
H31 H     1.318800570     0.593615770    -0.264139110 
H32 H     1.383204930     0.453498530    -0.448090780 
H33 H     1.460242530     0.348812620    -0.803225160 
H34 H     1.443691850     0.551670000    -1.161218570 
H35 H     1.367189440     0.655688760    -0.808455380 
H36 H     1.553516330     0.346262840    -1.526758820 
H37 H     1.497023370     0.359546360    -1.405984550 
H38 H     1.525734250     0.523992910    -1.444533750 

#END
data_-165.018_gel26a_62_83433 
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 8.668
_cell_length_b 105.9156
_cell_length_c 4.965
_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     0.347611230     0.512759280     1.065271570 
C2 C     0.211784740     0.519862700     0.939810660 
C3 C     0.186443040     0.532941440     1.063306820 
C4 C     0.050822000     0.540126440     0.939189350 
C5 C     0.025395040     0.553198370     1.062708640 
C6 C    -0.110382550     0.560360610     0.938460420 
C7 C    -0.136196270     0.573429750     1.061843370 
C8 C    -0.272257220     0.580554010     0.937549900 
C9 C    -0.298665760     0.593616180     1.060877540 
C10 C    -0.435194530     0.600684980     0.936710620 
C11 C    -0.462338840     0.613732200     1.060213410 
C12 C    -0.599560310     0.620729670     0.936501360 
C13 C    -0.626931670     0.633761790     1.060181300 
C14 C    -0.764899330     0.640565800     0.933718990 
C15 C    -0.718798360     0.663476630     0.952081830 
C16 C    -0.698380530     0.686732590     1.044406990 
C17 C    -0.746919950     0.696288520     1.220799250 
C18 C    -0.699903470     0.708661950     1.185709380 
C19 C    -0.602347060     0.711867390     0.972248550 
C20 C    -0.553435410     0.702420380     0.796418960 
C21 C    -0.600869760     0.689938240     0.831451430 
C22 C    -0.464485510     0.727992290     0.739058780 
N1 N    -0.794084170     0.652976290     1.048529880 
N2 N    -0.752126800     0.674391600     1.094115690 
O1 O    -0.632718490     0.663029480     0.757659840 
O2 O    -0.562317570     0.724324280     0.954062680 
H1 H     0.362940620     0.503455660     0.973758730 
H2 H     0.455375570     0.518002240     1.039229450 
H3 H     0.330226720     0.511383410     1.281604970 
H4 H     0.106162700     0.514267410     0.962643040 
H5 H     0.230448010     0.520864200     0.722437060 
H6 H     0.167744280     0.531950960     1.280903570 
H7 H     0.292111900     0.538549380     1.040562970 
H8 H    -0.054754030     0.534508550     0.961885980 
H9 H     0.069612780     0.541113640     0.721644900 
H10 H     0.006640710     0.552214910     1.280270230 
H11 H     0.130890540     0.558824040     1.039881290 
H12 H    -0.215814590     0.554724470     0.961131560 
H13 H    -0.091579840     0.561346500     0.720922050 
H14 H    -0.154883840     0.572447730     1.279429190 
H15 H    -0.030903060     0.579079260     1.038883510 
H16 H    -0.377447050     0.574887280     0.960224930 
H17 H    -0.253487850     0.581543920     0.720017330 
H18 H    -0.317191310     0.592630950     1.278502930 
H19 H    -0.193709450     0.599304190     1.037680620 
H20 H    -0.540018550     0.594972550     0.959449900 
H21 H    -0.416540980     0.601689260     0.719196850 
H22 H    -0.480556960     0.612739120     1.277892700 
H23 H    -0.357977830     0.619482180     1.036493330 
H24 H    -0.703859580     0.614948910     0.959631450 
H25 H    -0.581124350     0.621750160     0.719018160 
H26 H    -0.645530350     0.632855500     1.277848680 
H27 H    -0.524624550     0.639679870     1.032902590 
H28 H    -0.869781360     0.634916340     0.956518630 
H29 H    -0.744726940     0.641872320     0.718572930 
H30 H    -0.863158840     0.653604500     1.210845380 
H31 H    -0.824864840     0.673629830     1.251550110 
H32 H    -0.822680300     0.693980720     1.387890370 
H33 H    -0.737466560     0.716037120     1.321731630 
H34 H    -0.477898560     0.704569410     0.629263780 
H35 H    -0.562638160     0.682664890     0.694980930 
H36 H    -0.447755840     0.738128830     0.760803170 
H37 H    -0.352339800     0.723236750     0.749959920 
H38 H    -0.517393140     0.726033680     0.542931610 

#END
data_-164.321_gel26a_14_5705 
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 35.2103
_cell_length_b 5.189
_cell_length_c 14.23
_cell_angle_alpha 90.0
_cell_angle_beta 60.1823
_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     0.268580480    -0.187111810     0.572367400 
C2 C     0.313008880    -0.307214850     0.494426750 
C3 C     0.350148520    -0.205480910     0.510683440 
C4 C     0.394736360    -0.324427410     0.433102620 
C5 C     0.431876900    -0.222656350     0.449286460 
C6 C     0.476441110    -0.341685950     0.371543950 
C7 C     0.513653110    -0.240014830     0.387457290 
C8 C     0.558182860    -0.359016640     0.309434050 
C9 C     0.595498700    -0.257348340     0.324928680 
C10 C     0.639989730    -0.376122180     0.246463560 
C11 C     0.677419360    -0.274216400     0.261431120 
C12 C     0.721879850    -0.392412160     0.182342970 
C13 C     0.759319610    -0.290301420     0.197126300 
C14 C     0.803455900    -0.410806700     0.117020270 
C15 C     0.849568680    -0.427596990     0.201960440 
C16 C     0.901944070    -0.372556460     0.272091110 
C17 C     0.935424080    -0.213993610     0.265708940 
C18 C     0.955706640    -0.267498770     0.325461310 
C19 C     0.943035680    -0.482118180     0.393804030 
C20 C     0.909745150    -0.640317810     0.400704240 
C21 C     0.889284330    -0.586691080     0.340415220 
C22 C     0.953375380    -0.735876180     0.519000580 
N1 N     0.839735150    -0.316187120     0.128926210 
N2 N     0.883148740    -0.304692620     0.208213000 
O1 O     0.830446760    -0.618304960     0.254485290 
O2 O     0.964987620    -0.519136730     0.449428960 
H1 H     0.242698760    -0.262791640     0.558899190 
H2 H     0.259294850    -0.226417420     0.656673040 
H3 H     0.269396020     0.022304920     0.562428900 
H4 H     0.320997760    -0.270637410     0.410670290 
H5 H     0.311024880    -0.517201500     0.504330730 
H6 H     0.352167030     0.004706010     0.500786380 
H7 H     0.342180990    -0.241994300     0.594503010 
H8 H     0.402660820    -0.287951840     0.349321350 
H9 H     0.392691340    -0.534566240     0.443055290 
H10 H     0.433923580    -0.012508720     0.439367460 
H11 H     0.423987240    -0.259261700     0.533028510 
H12 H     0.484292090    -0.305219660     0.287816660 
H13 H     0.474390520    -0.551818000     0.381501750 
H14 H     0.515689790    -0.029850610     0.377587260 
H15 H     0.505861850    -0.276765270     0.471115440 
H16 H     0.565910660    -0.322521530     0.225798910 
H17 H     0.556148800    -0.569146370     0.319378890 
H18 H     0.597494820    -0.047153030     0.315161370 
H19 H     0.587868370    -0.294354380     0.408443920 
H20 H     0.647532800    -0.339528460     0.162970030 
H21 H     0.638014010    -0.586245650     0.256364220 
H22 H     0.679334170    -0.063979910     0.251854080 
H23 H     0.670058450    -0.311765300     0.344677290 
H24 H     0.729152100    -0.355388380     0.099053060 
H25 H     0.719987660    -0.602513720     0.192135400 
H26 H     0.761521660    -0.080168460     0.187494660 
H27 H     0.752772620    -0.331333910     0.279297030 
H28 H     0.811163260    -0.374237130     0.033635840 
H29 H     0.801909480    -0.619186110     0.128704740 
H30 H     0.855749050    -0.157508900     0.087551380 
H31 H     0.896530450    -0.148530220     0.161013600 
H32 H     0.945706880    -0.046310590     0.213089040 
H33 H     0.981566320    -0.145224880     0.320464920 
H34 H     0.899123450    -0.807830720     0.452801680 
H35 H     0.863533860    -0.709576550     0.346089540 
H36 H     0.974560850    -0.730063060     0.554422310 
H37 H     0.919114750    -0.726636140     0.583799640 
H38 H     0.958832290    -0.916699770     0.474221900 

#END
data_-163.783_gel26a_2_11580 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 9.6571
_cell_length_b 22.1159
_cell_length_c 9.5653
_cell_angle_alpha 80.339
_cell_angle_beta 146.4556
_cell_angle_gamma 97.1138
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     1.653405100     0.729256790     0.860849930 
C2 C     1.519145590     0.781579450     0.648391100 
C3 C     1.302679780     0.811491270     0.537473430 
C4 C     1.167119830     0.863893130     0.324776090 
C5 C     0.950614260     0.893782070     0.213741510 
C6 C     0.815174030     0.946131120     0.000901250 
C7 C     0.598369600     0.976053360    -0.110707550 
C8 C     0.463007100     1.028289660    -0.323858320 
C9 C     0.245679080     1.058230330    -0.436374150 
C10 C     0.110263280     1.110276380    -0.650105280 
C11 C    -0.107794130     1.140180630    -0.763773710 
C12 C    -0.243540350     1.191943490    -0.978457890 
C13 C    -0.461797770     1.221780460    -1.092472810 
C14 C    -0.594979340     1.273305570    -1.307095050 
C15 C    -0.766595090     1.350030480    -1.315651630 
C16 C    -1.010458020     1.418425010    -1.381897870 
C17 C    -1.249220510     1.429139400    -1.528946250 
C18 C    -1.293105020     1.476015140    -1.488890640 
C19 C    -1.098551960     1.513746770    -1.299508730 
C20 C    -0.860718490     1.503316850    -1.152360220 
C21 C    -0.816243890     1.456084370    -1.192697110 
C22 C    -0.968649660     1.598407430    -1.085843130 
N1 N    -0.804369870     1.302348850    -1.419978380 
N2 N    -0.982247190     1.369872120    -1.435854600 
O1 O    -0.561561020     1.372481330    -1.136144300 
O2 O    -1.160152640     1.558801100    -1.274423660 
H1 H     1.806681220     0.708687460     0.936261200 
H2 H     1.732607970     0.745601430     1.019400020 
H3 H     1.523927020     0.692919560     0.791683790 
H4 H     1.447225690     0.764325170     0.495116730 
H5 H     1.653966230     0.816653810     0.721075210 
H6 H     1.167593790     0.776425110     0.464647970 
H7 H     1.374482230     0.828774900     0.690760140 
H8 H     1.095531850     0.846575380     0.171680310 
H9 H     1.302301620     0.898934220     0.397747330 
H10 H     0.815426550     0.858749650     0.140811700 
H11 H     1.022122430     0.911152070     0.366711290 
H12 H     0.743917010     0.928743200    -0.151899040 
H13 H     0.950376690     0.981165890     0.073894520 
H14 H     0.463224280     0.941018550    -0.183541640 
H15 H     0.669525680     0.993540710     0.041889240 
H16 H     0.392278870     1.010777120    -0.476171990 
H17 H     0.598135020     1.063339970    -0.250932750 
H18 H     0.110708890     1.023168510    -0.508949130 
H19 H     0.316269110     1.075911280    -0.284391000 
H20 H     0.040295930     1.092568580    -0.801698110 
H21 H     0.245128820     1.145382270    -0.577415960 
H22 H    -0.242403650     1.105064370    -0.835846450 
H23 H    -0.038089270     1.158197550    -0.612831990 
H24 H    -0.312562140     1.173900940    -1.129071210 
H25 H    -0.109066700     1.227115840    -0.906174880 
H26 H    -0.597588340     1.186999850    -1.165440260 
H27 H    -0.393724930     1.241055360    -0.944594050 
H28 H    -0.665616180     1.255818080    -1.459006170 
H29 H    -0.462648020     1.309051180    -1.233530400 
H30 H    -0.974967850     1.284355080    -1.566285360 
H31 H    -1.141176800     1.347839470    -1.582209480 
H32 H    -1.402719730     1.400290770    -1.676914490 
H33 H    -1.477418200     1.484307650    -1.602516170 
H34 H    -0.705966230     1.531618610    -1.004194090 
H35 H    -0.631907360     1.448184830    -1.078261590 
H36 H    -1.056197080     1.630528290    -1.098353230 
H37 H    -0.814818040     1.573081220    -0.894356560 
H38 H    -0.893457350     1.623907140    -1.121073740 

#END
data_-163.577_gel26a_2_4078 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 28.5303
_cell_length_b 10.0287
_cell_length_c 5.5177
_cell_angle_alpha 117.0137
_cell_angle_beta 90.1333
_cell_angle_gamma 124.0804
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.211910800     0.118139530     0.197809030 
C2 C     0.258837270     0.133875920     0.052823610 
C3 C     0.296259630     0.317784700     0.051924750 
C4 C     0.343340380     0.334918940    -0.092635790 
C5 C     0.380734740     0.518695210    -0.093731750 
C6 C     0.427744640     0.535422510    -0.238661980 
C7 C     0.465153740     0.718954560    -0.240391710 
C8 C     0.512024610     0.735014250    -0.386034370 
C9 C     0.549426640     0.918153510    -0.388807470 
C10 C     0.596072050     0.933237060    -0.535647030 
C11 C     0.633410070     1.115834400    -0.539832530 
C12 C     0.679731500     1.129655410    -0.688464750 
C13 C     0.716992860     1.311956850    -0.693194180 
C14 C     0.762900820     1.322393180    -0.843422110 
C15 C     0.850773990     1.663169520    -0.624174380 
C16 C     0.931493790     2.005707100    -0.471322880 
C17 C     0.948904980     2.136535150    -0.552076620 
C18 C     1.001400320     2.325561650    -0.380822170 
C19 C     1.038226500     2.389830100    -0.122251200 
C20 C     1.021170850     2.260757770    -0.040351980 
C21 C     0.968259540     2.070021200    -0.212997200 
C22 C     1.127982970     2.649362560     0.294463160 
N1 N     0.798823940     1.494099190    -0.852269130 
N2 N     0.877480670     1.815730410    -0.658757240 
O1 O     0.870976670     1.673922650    -0.414945040 
O2 O     1.089131220     2.578778600     0.031947320 
H1 H     0.185805090    -0.014468530     0.195057630 
H2 H     0.233485780     0.239556190     0.424326870 
H3 H     0.180145500     0.118495960     0.087087840 
H4 H     0.236205690     0.008230390    -0.171212960 
H5 H     0.289210670     0.128845130     0.163684370 
H6 H     0.265903410     0.322978890    -0.059000670 
H7 H     0.318929570     0.443638860     0.276092740 
H8 H     0.320634480     0.208966610    -0.316692950 
H9 H     0.373674910     0.329730900     0.018408520 
H10 H     0.350412080     0.523954600    -0.204695610 
H11 H     0.403489580     0.644698710     0.130281000 
H12 H     0.404965870     0.409285300    -0.462581110 
H13 H     0.458072940     0.530223000    -0.127607690 
H14 H     0.434832300     0.724269530    -0.351240200 
H15 H     0.488024570     0.845171370    -0.016528200 
H16 H     0.489117980     0.608573720    -0.609736140 
H17 H     0.542368990     0.729854770    -0.275013270 
H18 H     0.519083790     0.923508250    -0.499412580 
H19 H     0.572487860     1.044706910    -0.165194740 
H20 H     0.572966990     0.806352450    -0.759037010 
H21 H     0.626474010     0.928221790    -0.424738370 
H22 H     0.603022130     1.121237370    -0.649980110 
H23 H     0.656796440     1.242885560    -0.316666890 
H24 H     0.656293960     1.002134080    -0.911524740 
H25 H     0.710199320     1.124761800    -0.577834710 
H26 H     0.686960760     1.318369930    -0.803433570 
H27 H     0.741535440     1.439869430    -0.471278370 
H28 H     0.740040350     1.196356500    -1.066528690 
H29 H     0.794178540     1.322589800    -0.728773000 
H30 H     0.782907240     1.489995260    -1.020544890 
H31 H     0.856717840     1.790046390    -0.840559170 
H32 H     0.920865930     2.089298230    -0.752158000 
H33 H     1.014854680     2.426469420    -0.443281050 
H34 H     1.048590880     2.305687830     0.158353020 
H35 H     0.955250240     1.970785390    -0.148594300 
H36 H     1.165266000     2.800098670     0.380649730 
H37 H     1.105091130     2.639762540     0.452196360 
H38 H     1.145618050     2.571399950     0.256903750 

#END
data_-163.455_gel26a_2_10233 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 5.4718
_cell_length_b 9.3745
_cell_length_c 33.1304
_cell_angle_alpha 66.6548
_cell_angle_beta 76.9508
_cell_angle_gamma 46.1605
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -0.301123120     0.548400970     0.253124300 
C2 C    -0.269546030     0.417815730     0.301053520 
C3 C    -0.198079720     0.464140140     0.334072260 
C4 C    -0.166035610     0.334307730     0.382118150 
C5 C    -0.094386860     0.380482880     0.415134420 
C6 C    -0.062106830     0.250314620     0.463156530 
C7 C     0.009975810     0.295980540     0.496242310 
C8 C     0.042841230     0.165224050     0.544222070 
C9 C     0.115750780     0.210091040     0.577401930 
C10 C     0.149725780     0.078407320     0.625322370 
C11 C     0.223922600     0.122248620     0.658593030 
C12 C     0.259724120    -0.010743030     0.706442490 
C13 C     0.334495690     0.032719260     0.739709820 
C14 C     0.369958310    -0.102386320     0.787313430 
C15 C     0.184040210     0.093539360     0.836197550 
C16 C     0.100848350     0.258993050     0.887805950 
C17 C     0.275304730     0.254801120     0.914104390 
C18 C     0.101995090     0.388675390     0.938184080 
C19 C    -0.252760820     0.531607210     0.936657580 
C20 C    -0.427874720     0.536926390     0.910544830 
C21 C    -0.253375370     0.401869080     0.886268710 
C22 C    -0.760415890     0.803172630     0.961233160 
N1 N     0.442789920    -0.064973000     0.819684380 
N2 N     0.297002360     0.116777150     0.864478650 
O1 O    -0.114869980     0.200027380     0.826781750 
O2 O    -0.401049640     0.657122770     0.961577370 
H1 H    -0.351571360     0.512007140     0.230276090 
H2 H    -0.508430190     0.716906380     0.247577680 
H3 H    -0.067441280     0.518471660     0.244405890 
H4 H    -0.066107370     0.249920330     0.305437140 
H5 H    -0.503734180     0.447128390     0.308627590 
H6 H     0.036299120     0.434848770     0.326523990 
H7 H    -0.401578240     0.632171060     0.329708650 
H8 H     0.037348600     0.166335250     0.386441260 
H9 H    -0.400475420     0.363696640     0.389639090 
H10 H     0.139995150     0.351162710     0.407615550 
H11 H    -0.297826120     0.548399130     0.410850950 
H12 H     0.141161310     0.082416060     0.467407820 
H13 H    -0.296549860     0.279710880     0.470671720 
H14 H     0.244277730     0.266754070     0.488713860 
H15 H    -0.193445920     0.463781840     0.492061730 
H16 H     0.245956860    -0.002549350     0.548351050 
H17 H    -0.191573820     0.194602010     0.551753380 
H18 H     0.349880990     0.181051680     0.569833960 
H19 H    -0.087649720     0.377693670     0.573390290 
H20 H     0.352662490    -0.089174130     0.629265540 
H21 H    -0.084595630     0.107723950     0.632910720 
H22 H     0.457718040     0.093553620     0.650946400 
H23 H     0.020499320     0.289463690     0.654868620 
H24 H     0.462698170    -0.178065020     0.710100490 
H25 H     0.025639230     0.018393830     0.714110860 
H26 H     0.568291770     0.004059600     0.732353830 
H27 H     0.129640660     0.198319770     0.736928810 
H28 H     0.572652890    -0.269664350     0.791424600 
H29 H     0.133878260    -0.069321660     0.795296020 
H30 H     0.686879010    -0.148798070     0.827677490 
H31 H     0.550089870     0.019955140     0.869812540 
H32 H     0.550934350     0.144892670     0.915698480 
H33 H     0.236673280     0.385311480     0.958504020 
H34 H    -0.702292140     0.645599310     0.908591800 
H35 H    -0.390023720     0.406692690     0.866101230 
H36 H    -0.824866060     0.885217220     0.983005910 
H37 H    -0.879271100     0.917448000     0.928086300 
H38 H    -0.856400520     0.723707640     0.973660470 

#END
data_-163.346_gel26a_15_17221 
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 60.0689
_cell_length_b 9.434
_cell_length_c 8.9101
_cell_angle_alpha 90.0
_cell_angle_beta 76.8433
_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     0.867926350     0.852710640    -0.212230920 
C2 C     0.889292110     0.920431140    -0.176727620 
C3 C     0.906900320     0.811437710    -0.150505300 
C4 C     0.928340790     0.878100440    -0.114901870 
C5 C     0.945941260     0.769172390    -0.088588720 
C6 C     0.967357120     0.836078610    -0.052851820 
C7 C     0.984974800     0.727385050    -0.026293000 
C8 C     1.006344820     0.794640320     0.009745230 
C9 C     1.023979590     0.686262530     0.036745050 
C10 C     1.045278660     0.753976200     0.073332610 
C11 C     1.062916480     0.645929900     0.100983420 
C12 C     1.084118540     0.714159570     0.138450160 
C13 C     1.101736680     0.606225790     0.166375780 
C14 C     1.122758520     0.676906890     0.203953840 
C15 C     1.156212380     0.523534430     0.111553340 
C16 C     1.188877150     0.350729570     0.063832490 
C17 C     1.200194430     0.250720610     0.136255160 
C18 C     1.218786640     0.175762090     0.053756750 
C19 C     1.226650580     0.198575280    -0.104457400 
C20 C     1.215469750     0.297605520    -0.177261870 
C21 C     1.196726590     0.373365970    -0.094166630 
C22 C     1.253751010     0.140368910    -0.336211130 
N1 N     1.139772850     0.576611050     0.231792360 
N2 N     1.170145520     0.422756170     0.156489470 
O1 O     1.158192610     0.564087240    -0.020966570 
O2 O     1.245118940     0.119630910    -0.175928800 
H1 H     0.855641760     0.932819830    -0.230201570 
H2 H     0.872302480     0.787468450    -0.316354990 
H3 H     0.859313320     0.784193230    -0.117618190 
H4 H     0.884373340     0.987936210    -0.074350330 
H5 H     0.897293550     0.990866290    -0.271603850 
H6 H     0.898910380     0.740870780    -0.055553640 
H7 H     0.911834010     0.743808500    -0.252921230 
H8 H     0.923388910     0.945762910    -0.012543600 
H9 H     0.936319750     0.948625710    -0.209893630 
H10 H     0.937965990     0.698604220     0.006371670 
H11 H     0.950913300     0.701552200    -0.190956270 
H12 H     0.962370980     0.903789690     0.049442120 
H13 H     0.975333290     0.906603640    -0.147846540 
H14 H     0.976998060     0.656770810     0.068622480 
H15 H     0.989997740     0.659771530    -0.128625640 
H16 H     1.001299680     0.862414410     0.111947440 
H17 H     1.014328600     0.865155230    -0.085234070 
H18 H     1.015989340     0.615580990     0.131563640 
H19 H     1.029085970     0.618673110    -0.065531970 
H20 H     1.040143230     0.821820340     0.175415950 
H21 H     1.053289570     0.824454390    -0.021594690 
H22 H     1.054898500     0.575138580     0.195615630 
H23 H     1.068164200     0.578456740    -0.001215630 
H24 H     1.078839270     0.782003950     0.240478230 
H25 H     1.092163570     0.784630050     0.043649370 
H26 H     1.093872630     0.535123880     0.261040450 
H27 H     1.107458490     0.540083740     0.063944220 
H28 H     1.117722840     0.744405120     0.305923780 
H29 H     1.131099730     0.744148620     0.107896860 
H30 H     1.138398190     0.540147830     0.339637770 
H31 H     1.166905060     0.397426210     0.269228090 
H32 H     1.194329330     0.231492090     0.259083180 
H33 H     1.227529500     0.098664230     0.109685080 
H34 H     1.221096660     0.317831250    -0.299497980 
H35 H     1.188129610     0.449787500    -0.151040060 
H36 H     1.268259830     0.068826770    -0.369472830 
H37 H     1.240948220     0.114146310    -0.402007630 
H38 H     1.259536780     0.249727050    -0.361989480 

#END
data_-163.346_gel26a_15_51857 
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 76.5055
_cell_length_b 9.434
_cell_length_c 8.9101
_cell_angle_alpha 90.0
_cell_angle_beta 49.8668
_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     1.132073630     0.352710470    -3.816063570 
C2 C     1.110707880     0.420431040    -3.766103850 
C3 C     1.093099660     0.311437590    -3.721893330 
C4 C     1.071659200     0.378100380    -3.671734920 
C5 C     1.054058730     0.269172290    -3.627646210 
C6 C     1.032642870     0.336078580    -3.577719670 
C7 C     1.015025190     0.227384990    -3.533807790 
C8 C     0.993655170     0.294640320    -3.484365960 
C9 C     0.976020400     0.186262520    -3.440826690 
C10 C     0.954721340     0.253976250    -3.392218000 
C11 C     0.937083520     0.145929910    -3.349317540 
C12 C     0.915881460     0.214159620    -3.301976070 
C13 C     0.898263310     0.106225820    -3.259429120 
C14 C     0.877241480     0.176906980    -3.212919870 
C15 C     0.843787620     0.023534510    -2.986703880 
C16 C     0.811122850    -0.149270400    -2.808323970 
C17 C     0.799805570    -0.249279390    -2.835477540 
C18 C     0.781213350    -0.324237910    -2.678610240 
C19 C     0.773349420    -0.301424710    -2.488940310 
C20 C     0.784530250    -0.202394440    -2.460859160 
C21 C     0.803273400    -0.126633970    -2.618927030 
C22 C     0.746248990    -0.359631100    -2.148784820 
N1 N     0.860227150     0.076611130    -3.172701040 
N2 N     0.829854480    -0.077243800    -2.975907490 
O1 O     0.841807390     0.064087300    -2.846263030 
O2 O     0.754881050    -0.380369110    -2.343595450 
H1 H     1.144358220     0.432819700    -3.847231280 
H2 H     1.127697500     0.287468270    -3.694434970 
H3 H     1.140686660     0.284193050    -3.945128450 
H4 H     1.115626650     0.487936120    -3.888156240 
H5 H     1.102706440     0.490866220    -3.639221860 
H6 H     1.101089600     0.240870640    -3.848804770 
H7 H     1.088165980     0.243808340    -3.599742630 
H8 H     1.076611090     0.445762870    -3.793900760 
H9 H     1.063680240     0.448625680    -3.544827280 
H10 H     1.062033990     0.198604110    -3.754507650 
H11 H     1.049086690     0.201552080    -3.505390470 
H12 H     1.037629010     0.403789680    -3.699958210 
H13 H     1.024666700     0.406603630    -3.450820250 
H14 H     1.023001920     0.156770720    -3.660630230 
H15 H     1.010002250     0.159771450    -3.411383340 
H16 H     0.998700310     0.362414440    -3.606748740 
H17 H     0.985671390     0.365155250    -3.357451500 
H18 H     0.984010650     0.115580930    -3.567606310 
H19 H     0.970914030     0.118673050    -3.318124170 
H20 H     0.959856770     0.321820400    -3.514843090 
H21 H     0.946710430     0.324454460    -3.265247050 
H22 H     0.945101500     0.075138560    -3.476021700 
H23 H     0.931835800     0.078456720    -3.226127600 
H24 H     0.921160720     0.282004050    -3.425121220 
H25 H     0.907836430     0.284630160    -3.174995120 
H26 H     0.906127370     0.035123890    -3.385550050 
H27 H     0.892541500     0.040083760    -3.134110280 
H28 H     0.882277150     0.244405260    -3.335032520 
H29 H     0.868900270     0.244148750    -3.083498000 
H30 H     0.861601810     0.040147890    -3.286045150 
H31 H     0.833094930    -0.102573760    -3.101607960 
H32 H     0.805670660    -0.268507900    -2.981765970 
H33 H     0.772470500    -0.401335780    -2.699567180 
H34 H     0.778903340    -0.182168720    -2.316115380 
H35 H     0.811870380    -0.050212440    -2.596441500 
H36 H     0.731740170    -0.431173240    -2.057487840 
H37 H     0.759051770    -0.385853720    -2.134199430 
H38 H     0.740463220    -0.250272910    -2.099863400 

#END
data_-163.247_gel26a_14_16829 
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 25.2235
_cell_length_b 5.0145
_cell_length_c 17.7624
_cell_angle_alpha 90.0
_cell_angle_beta 93.792
_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     0.281462780     0.804201660     0.347527910 
C2 C     0.309728110     0.688995290     0.281221910 
C3 C     0.363749780     0.818705380     0.271246670 
C4 C     0.392355320     0.704860740     0.205059790 
C5 C     0.446346900     0.834593740     0.195042170 
C6 C     0.474854880     0.720614670     0.128775090 
C7 C     0.528829230     0.850226800     0.118567200 
C8 C     0.557173300     0.736195420     0.052156580 
C9 C     0.611109210     0.865773120     0.041656700 
C10 C     0.639212300     0.751858120    -0.024988720 
C11 C     0.693072960     0.881631100    -0.035849030 
C12 C     0.720863300     0.768158510    -0.102839070 
C13 C     0.774656160     0.898108360    -0.113811130 
C14 C     0.801633810     0.781847970    -0.181207480 
C15 C     0.898570440     0.809546080    -0.155698960 
C16 C     0.996225200     0.911632450    -0.142233840 
C17 C     1.034841100     1.092865780    -0.163653170 
C18 C     1.087741660     1.062403480    -0.139349380 
C19 C     1.103697130     0.848862380    -0.092612510 
C20 C     1.065542410     0.668225040    -0.070994070 
C21 C     1.012178620     0.698593280    -0.095516050 
C22 C     1.174674200     0.620598720    -0.024687230 
N1 N     0.852824670     0.902785180    -0.193199710 
N2 N     0.943290100     0.956846020    -0.169730770 
O1 O     0.898909390     0.613491400    -0.114907030 
O2 O     1.156763460     0.835448310    -0.071606750 
H1 H     0.243007820     0.708414370     0.353281980 
H2 H     0.305314030     0.776729690     0.400695820 
H3 H     0.274449330     1.018292270     0.340228310 
H4 H     0.284444080     0.713030620     0.229036980 
H5 H     0.315192940     0.473638520     0.289093350 
H6 H     0.358329730     1.034289860     0.263360670 
H7 H     0.389087330     0.794762070     0.323456630 
H8 H     0.366977610     0.728748680     0.152893670 
H9 H     0.397762770     0.489322700     0.212990700 
H10 H     0.440955610     1.050149130     0.187129650 
H11 H     0.471756570     0.810583510     0.247169060 
H12 H     0.449402850     0.744462580     0.076676920 
H13 H     0.480256990     0.505081520     0.136711700 
H14 H     0.523444980     1.065804220     0.110687650 
H15 H     0.554336500     0.826105350     0.170597340 
H16 H     0.531596570     0.760022330     0.000173030 
H17 H     0.562591770     0.520671350     0.060077440 
H18 H     0.605713880     1.081381630     0.033856200 
H19 H     0.636774030     0.841449630     0.093525450 
H20 H     0.613448950     0.775711340    -0.076798750 
H21 H     0.644689250     0.536364410    -0.017122570 
H22 H     0.687649230     1.097276780    -0.043499880 
H23 H     0.718991170     0.856844420     0.015733130 
H24 H     0.694819340     0.792343610    -0.154398620 
H25 H     0.726404840     0.552711780    -0.095077070 
H26 H     0.769591210     1.113800520    -0.121637270 
H27 H     0.801264170     0.869965540    -0.063234570 
H28 H     0.776133920     0.805794480    -0.233037630 
H29 H     0.808394530     0.568786620    -0.172546190 
H30 H     0.853657000     1.066478820    -0.225859630 
H31 H     0.938244410     1.115166070    -0.204385690 
H32 H     1.023207260     1.260095500    -0.199917090 
H33 H     1.117543920     1.202167250    -0.155930640 
H34 H     1.076505680     0.500862060    -0.034859600 
H35 H     0.982816790     0.558409750    -0.078598150 
H36 H     1.217444190     0.646477830    -0.015107670 
H37 H     1.156409340     0.624549400     0.029609890 
H38 H     1.166474610     0.427655800    -0.052036770 

#END
data_-163.006_gel26a_14_28172 
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 5.5594
_cell_length_b 16.96
_cell_length_c 27.6799
_cell_angle_alpha 90.0
_cell_angle_beta 121.1813
_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    -0.547631740     0.256172150     0.280406690 
C2 C    -0.625685790     0.318589880     0.309864750 
C3 C    -0.667137660     0.284418850     0.356240360 
C4 C    -0.745284660     0.346382320     0.385975030 
C5 C    -0.786907490     0.312236690     0.432315410 
C6 C    -0.865317540     0.374297490     0.461952430 
C7 C    -0.907419540     0.340298390     0.508266240 
C8 C    -0.986405100     0.402486850     0.537728660 
C9 C    -1.029352260     0.368678890     0.583981040 
C10 C    -1.109371820     0.431023540     0.613173890 
C11 C    -1.153546340     0.397399970     0.659308970 
C12 C    -1.235202510     0.459902310     0.688132130 
C13 C    -1.279886440     0.426316080     0.734179380 
C14 C    -1.361953740     0.489866740     0.762305280 
C15 C    -1.186009430     0.450981040     0.860745540 
C16 C    -1.089592080     0.401596750     0.954699550 
C17 C    -1.214808490     0.364802480     0.981652630 
C18 C    -1.061091590     0.348123860     1.038819380 
C19 C    -0.776059120     0.367773660     1.070909170 
C20 C    -0.650078980     0.404225900     1.044404770 
C21 C    -0.804930600     0.421139380     0.986757340 
C22 C    -0.353251900     0.368522150     1.161156550 
N1 N    -1.407112600     0.459488070     0.806148630 
N2 N    -1.261557840     0.416710270     0.896396840 
O1 O    -0.948237310     0.472797610     0.875583490 
O2 O    -0.642074480     0.349013510     1.127003710 
H1 H    -0.519732340     0.282128760     0.247476170 
H2 H    -0.351391100     0.226430050     0.310507360 
H3 H    -0.711228180     0.211024780     0.260630280 
H4 H    -0.818815560     0.348803760     0.278594310 
H5 H    -0.461638240     0.363962640     0.328197380 
H6 H    -0.831312620     0.238993060     0.337938850 
H7 H    -0.473928240     0.254158700     0.387561730 
H8 H    -0.938386940     0.376636150     0.354619930 
H9 H    -0.581028790     0.391772190     0.404264970 
H10 H    -0.951102380     0.266828790     0.414042350 
H11 H    -0.593798270     0.282029970     0.463706380 
H12 H    -1.058297640     0.404532760     0.430530280 
H13 H    -0.701055480     0.419683680     0.480237180 
H14 H    -1.071526980     0.294864130     0.490001810 
H15 H    -0.714389090     0.310159420     0.539753860 
H16 H    -1.179207470     0.432679680     0.506191450 
H17 H    -0.822172320     0.447877550     0.556028100 
H18 H    -1.193271550     0.323191470     0.565710330 
H19 H    -0.836449430     0.338657770     0.615625550 
H20 H    -1.301938820     0.461137950     0.581461400 
H21 H    -0.945237940     0.476429850     0.631526040 
H22 H    -1.317105190     0.351818350     0.641020070 
H23 H    -0.960837790     0.367617490     0.691211290 
H24 H    -1.427628290     0.489835780     0.656138700 
H25 H    -1.071308890     0.505349080     0.706538070 
H26 H    -1.443514910     0.380766640     0.716235310 
H27 H    -1.087024050     0.397816260     0.766882880 
H28 H    -1.554304570     0.519925190     0.730851790 
H29 H    -1.195503810     0.533992100     0.781883020 
H30 H    -1.600315140     0.440233500     0.795003440 
H31 H    -1.464367920     0.400960360     0.879453240 
H32 H    -1.435998040     0.349060470     0.957420110 
H33 H    -1.157804780     0.319782970     1.059622390 
H34 H    -0.430011410     0.420194700     1.067956970 
H35 H    -0.706456930     0.449299750     0.966450950 
H36 H    -0.288887360     0.349136960     1.203678250 
H37 H    -0.226488690     0.337995900     1.147062580 
H38 H    -0.319164070     0.432225030     1.161467260 

#END
data_-162.992_gel26a_61_37502 
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 9.0101
_cell_length_b 8.8893
_cell_length_c 62.1432
_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     0.287726920     1.674358050     0.131472290 
C2 C     0.381496200     1.616211340     0.112711390 
C3 C     0.288118700     1.553078440     0.094221130 
C4 C     0.380875300     1.494609080     0.075370840 
C5 C     0.287567560     1.431403870     0.056888960 
C6 C     0.380566680     1.372863260     0.038066080 
C7 C     0.287543120     1.309414750     0.019572260 
C8 C     0.380891410     1.250677350     0.000798480 
C9 C     0.288256360     1.186800060    -0.017705810 
C10 C     0.382069170     1.127666320    -0.036405160 
C11 C     0.289847560     1.063172530    -0.054906610 
C12 C     0.384194390     1.003356960    -0.073506310 
C13 C     0.292099320     0.938629570    -0.091987480 
C14 C     0.388822260     0.879229580    -0.110373600 
C15 C     0.252069830     0.906980840    -0.144423780 
C16 C     0.099157200     0.889165690    -0.178122150 
C17 C     0.013982120     0.789886520    -0.190593130 
C18 C    -0.054647130     0.837491160    -0.209307600 
C19 C    -0.040204410     0.986575560    -0.216140990 
C20 C     0.044047370     1.085933730    -0.203815390 
C21 C     0.113426050     1.038036740    -0.184945380 
C22 C    -0.099114850     1.172752030    -0.242408700 
N1 N     0.304045450     0.816289360    -0.128149500 
N2 N     0.165685990     0.831308750    -0.159337760 
O1 O     0.282005140     1.040750130    -0.145444520 
O2 O    -0.111918140     1.022923580    -0.234820050 
H1 H     0.357111930     1.718531150     0.144446860 
H2 H     0.213530060     1.764723240     0.126246750 
H3 H     0.218699610     1.584668940     0.138206890 
H4 H     0.457339880     1.528606020     0.118487200 
H5 H     0.451903740     1.707241360     0.106584250 
H6 H     0.217593630     1.461942400     0.100335040 
H7 H     0.212156660     1.640687420     0.088429110 
H8 H     0.456848580     1.407087040     0.081180530 
H9 H     0.451342820     1.585796080     0.069266450 
H10 H     0.217055920     1.340238200     0.062989120 
H11 H     0.211655940     1.518911300     0.051061200 
H12 H     0.456551300     1.285459220     0.043908750 
H13 H     0.451030990     1.464057120     0.031964300 
H14 H     0.216977770     1.218290820     0.025672970 
H15 H     0.211689850     1.396816050     0.013696990 
H16 H     0.456876190     1.163455260     0.006697540 
H17 H     0.451354040     1.341843930    -0.005310620 
H18 H     0.217598620     1.095784360    -0.011593630 
H19 H     0.212512140     1.274030420    -0.023658700 
H20 H     0.458029110     1.040698310    -0.030420270 
H21 H     0.452524750     1.218738590    -0.042540330 
H22 H     0.219030870     0.972369730    -0.048770390 
H23 H     0.214364420     1.150137900    -0.060989620 
H24 H     0.460013750     0.916647760    -0.067386860 
H25 H     0.454687290     1.094253970    -0.079673630 
H26 H     0.221109560     0.847542090    -0.086000950 
H27 H     0.218412980     1.025302720    -0.098489270 
H28 H     0.464506570     0.792195070    -0.104488300 
H29 H     0.456124970     0.970601940    -0.116876490 
H30 H     0.276329000     0.706708710    -0.127604000 
H31 H     0.148235340     0.720725140    -0.156845610 
H32 H     0.001426380     0.673638470    -0.185540460 
H33 H    -0.120282120     0.760833360    -0.218938730 
H34 H     0.057471910     1.202039460    -0.208627320 
H35 H     0.178400310     1.115355110    -0.175462510 
H36 H    -0.162906300     1.177441770    -0.257272960 
H37 H    -0.145113740     1.253559810    -0.230874020 
H38 H     0.016657810     1.202356020    -0.245792360 

#END
data_-162.992_gel26a_61_15748 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,1/2-y,1/2+z
8 1/2+x,+y,1/2-z
_cell_length_a 62.1432
_cell_length_b 9.0101
_cell_length_c 8.8893
_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     0.631472340     0.287727080     1.174357650 
C2 C     0.612711440     0.381496350     1.116211020 
C3 C     0.594221170     0.288118850     1.053078160 
C4 C     0.575370870     0.380875440     0.994608890 
C5 C     0.556888990     0.287567700     0.931403710 
C6 C     0.538066100     0.380566810     0.872863190 
C7 C     0.519572270     0.287543250     0.809414710 
C8 C     0.500798480     0.380891530     0.750677400 
C9 C     0.482294190     0.288256480     0.686800140 
C10 C     0.463594830     0.382069290     0.627666490 
C11 C     0.445093380     0.289847670     0.563172740 
C12 C     0.426493670     0.384194490     0.503357250 
C13 C     0.408012500     0.292099420     0.438629900 
C14 C     0.389626370     0.388822360     0.379230000 
C15 C     0.355576190     0.252069880     0.406981320 
C16 C     0.321877820     0.099157220     0.389166220 
C17 C     0.309406840     0.013982160     0.289887080 
C18 C     0.290692370    -0.054647130     0.337491750 
C19 C     0.283858980    -0.040204460     0.486576160 
C20 C     0.296184590     0.044047300     0.585934310 
C21 C     0.315054600     0.113426020     0.538037280 
C22 C     0.257591280    -0.099114990     0.672752670 
N1 N     0.371850460     0.304045540     0.316289810 
N2 N     0.340662200     0.165686050     0.331309250 
O1 O     0.354555450     0.282005150     0.540750610 
O2 O     0.265179930    -0.111918230     0.522924220 
H1 H     0.644446920     0.357112090     1.218530720 
H2 H     0.626246810     0.213530190     1.264722820 
H3 H     0.638206940     0.218699810     1.084668510 
H4 H     0.618487240     0.457340060     1.028605720 
H5 H     0.606584300     0.451903850     1.207241070 
H6 H     0.600335080     0.217593820     0.961942090 
H7 H     0.588429160     0.212156780     1.140687130 
H8 H     0.581180560     0.456848750     0.907086850 
H9 H     0.569266490     0.451342920     1.085795910 
H10 H     0.562989150     0.217056100     0.840238010 
H11 H     0.551061240     0.211656050     1.018911130 
H12 H     0.543908760     0.456551460     0.785459160 
H13 H     0.531964320     0.451031090     0.964057070 
H14 H     0.525672990     0.216977940     0.718290760 
H15 H     0.513697010     0.211689950     0.896816000 
H16 H     0.506697540     0.456876340     0.663455320 
H17 H     0.494689390     0.451354120     0.841844010 
H18 H     0.488406370     0.217598780     0.595784410 
H19 H     0.476341310     0.212512230     0.774030490 
H20 H     0.469579710     0.458029250     0.540698490 
H21 H     0.457459670     0.452524830     0.718738790 
H22 H     0.451229590     0.219031020     0.472369910 
H23 H     0.439010370     0.214364500     0.650138100 
H24 H     0.432613110     0.460013880     0.416648060 
H25 H     0.420326360     0.454687360     0.594254290 
H26 H     0.413999020     0.221109700     0.347542400 
H27 H     0.401510710     0.218413060     0.525303040 
H28 H     0.395511650     0.464506700     0.292195500 
H29 H     0.383123480     0.456125030     0.470602380 
H30 H     0.372395960     0.276329130     0.206709170 
H31 H     0.343154350     0.148235440     0.220725650 
H32 H     0.314459490     0.001426460     0.173639030 
H33 H     0.281061230    -0.120282110     0.260833970 
H34 H     0.291372670     0.057471800     0.702040040 
H35 H     0.324537470     0.178400260     0.615355630 
H36 H     0.242727030    -0.162906460     0.677442440 
H37 H     0.269125970    -0.145113890     0.753560390 
H38 H     0.254207620     0.016657650     0.702356700 

#END
data_-162.963_gel26a_2_960 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 15.732
_cell_length_b 17.5005
_cell_length_c 17.2471
_cell_angle_alpha 67.9995
_cell_angle_beta 161.4033
_cell_angle_gamma 121.8503
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     1.742921870     0.655936560     1.630986850 
C2 C     1.430173190     0.628824660     1.411533030 
C3 C     1.401657510     0.717659340     1.356810540 
C4 C     1.089616180     0.691325990     1.137580470 
C5 C     1.060928070     0.780096650     1.082701360 
C6 C     0.748534300     0.753555880     0.863201650 
C7 C     0.719007120     0.842155680     0.807657370 
C8 C     0.406016270     0.815291980     0.587645850 
C9 C     0.375232460     0.903640900     0.531056890 
C10 C     0.061298170     0.876321670     0.310177250 
C11 C     0.029013630     0.964366910     0.252260820 
C12 C    -0.286261550     0.936482760     0.030065570 
C13 C    -0.318980880     1.024395650    -0.028281810 
C14 C    -0.636381820     0.994655170    -0.251521870 
C15 C    -0.539586010     1.145712470    -0.161668450 
C16 C    -0.480653840     1.303208560    -0.126707480 
C17 C    -0.545750880     1.373260060    -0.231013480 
C18 C    -0.456874740     1.454326770    -0.137540740 
C19 C    -0.299202370     1.467905620     0.064212870 
C20 C    -0.233221850     1.398708270     0.169153040 
C21 C    -0.322967910     1.316862850     0.074898960 
C22 C    -0.063479490     1.566161250     0.345838600 
N1 N    -0.674714930     1.076794870    -0.312192260 
N2 N    -0.580471070     1.222649710    -0.233962030 
O1 O    -0.401241610     1.137711460     0.015580150 
O2 O    -0.221320420     1.550093190     0.143172770 
H1 H     1.756765110     0.591183080     1.665642670 
H2 H     1.962145820     0.717962980     1.826933260 
H3 H     1.753487170     0.680495320     1.571072030 
H4 H     1.214799770     0.564918670     1.219618520 
H5 H     1.422122250     0.602352390     1.473659910 
H6 H     1.409680530     0.744222810     1.294596870 
H7 H     1.617146030     0.781669840     1.548801940 
H8 H     0.874313490     0.627280990     0.945754170 
H9 H     1.081797740     0.664783880     1.199947880 
H10 H     1.068825940     0.806675620     1.020397730 
H11 H     1.276032570     0.844136120     1.274406700 
H12 H     0.533530650     0.689449640     0.671623800 
H13 H     0.740742350     0.727011310     0.925588640 
H14 H     0.727049840     0.868769850     0.745468950 
H15 H     0.933655430     0.906240950     0.999035060 
H16 H     0.191525740     0.751091730     0.396479810 
H17 H     0.398155120     0.788760420     0.649975240 
H18 H     0.383623600     0.930298300     0.469147330 
H19 H     0.589117660     0.967792610     0.721890490 
H20 H    -0.152404890     0.811992500     0.119625650 
H21 H     0.053196170     0.849837270     0.372306880 
H22 H     0.038061590     0.991092330     0.190882350 
H23 H     0.241528880     1.028582540     0.442143890 
H24 H    -0.498769970     0.872005720    -0.159645420 
H25 H    -0.294815330     0.910023910     0.091815330 
H26 H    -0.310746710     1.051491360    -0.090287950 
H27 H    -0.111563800     1.088256880     0.158531640 
H28 H    -0.850203560     0.930680550    -0.442153450 
H29 H    -0.640840220     0.970847980    -0.186882470 
H30 H    -0.784411120     1.085887800    -0.455129000 
H31 H    -0.698668600     1.221617560    -0.383379500 
H32 H    -0.667939960     1.363996860    -0.387778870 
H33 H    -0.507352160     1.508337240    -0.218205580 
H34 H    -0.111488880     1.406968210     0.325456590 
H35 H    -0.271203770     1.263586210     0.156850560 
H36 H    -0.025390480     1.634171790     0.377327160 
H37 H     0.174531720     1.578510550     0.539820440 
H38 H    -0.216357510     1.502207880     0.277557500 

#END
data_-162.943_gel26a_1_737 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
_cell_length_a 33.4771
_cell_length_b 5.1107
_cell_length_c 5.3078
_cell_angle_alpha 96.8021
_cell_angle_beta 131.4571
_cell_angle_gamma 60.4118
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -0.064003630    -0.923622930     1.364536630 
C2 C    -0.073623490    -0.680749030     1.549207860 
C3 C    -0.143401820    -0.395431550     1.310380720 
C4 C    -0.153541160    -0.151039760     1.492626220 
C5 C    -0.223284780     0.134314580     1.253887220 
C6 C    -0.233296550     0.378543530     1.436586710 
C7 C    -0.302985680     0.664359650     1.198301390 
C8 C    -0.312800400     0.908430900     1.381567290 
C9 C    -0.382409130     1.194991120     1.143817720 
C10 C    -0.391951670     1.439002540     1.327717940 
C11 C    -0.461456820     1.726506230     1.090392960 
C12 C    -0.470672000     1.970711650     1.274823340 
C13 C    -0.540110190     2.258412520     1.037569630 
C14 C    -0.548118610     2.499603840     1.227411340 
C15 C    -0.656992960     2.773351050     0.982818390 
C16 C    -0.773011670     3.124661060     0.664806680 
C17 C    -0.830490700     3.417798340     0.408201530 
C18 C    -0.886365450     3.511983210     0.314540490 
C19 C    -0.886462840     3.314797810     0.475232730 
C20 C    -0.829560460     3.022962250     0.730001440 
C21 C    -0.773157610     2.927784240     0.824925370 
C22 C    -0.945964970     3.236810400     0.524019490 
N1 N    -0.613718500     2.776748830     1.007179150 
N2 N    -0.718266800     3.047709600     0.745398570 
O1 O    -0.641645640     2.548941690     1.159130880 
O2 O    -0.943909890     3.428412750     0.365526860 
H1 H    -0.013801140    -1.124362680     1.540668700 
H2 H    -0.092945110    -1.017682690     1.277399830 
H3 H    -0.078307740    -0.815974640     1.129696530 
H4 H    -0.042920240    -0.596458560     1.641628450 
H5 H    -0.057613650    -0.796196920     1.787522160 
H6 H    -0.159481440    -0.279666270     1.071732760 
H7 H    -0.174174630    -0.479565130     1.217716690 
H8 H    -0.122725300    -0.067208990     1.585365280 
H9 H    -0.137458630    -0.266962920     1.731175440 
H10 H    -0.239388560     0.250246570     1.015261260 
H11 H    -0.254116770     0.050652890     1.161295280 
H12 H    -0.202406020     0.461886370     1.529408510 
H13 H    -0.217209580     0.262586780     1.675131310 
H14 H    -0.319103310     0.780226260     0.959588240 
H15 H    -0.333897480     0.581277850     1.105809190 
H16 H    -0.281789530     0.990976790     1.474471420 
H17 H    -0.296729800     0.792584150     1.620094520 
H18 H    -0.398528040     1.310592550     0.904971870 
H19 H    -0.413446750     1.112849930     1.051521170 
H20 H    -0.360767050     1.520379270     1.420672750 
H21 H    -0.375939540     1.323542930     1.566183250 
H22 H    -0.477567990     1.841568670     0.851335390 
H23 H    -0.492678860     1.645889870     0.998617090 
H24 H    -0.439255770     2.050512180     1.367517220 
H25 H    -0.454720500     1.855820690     1.513267710 
H26 H    -0.556585150     2.375286800     0.798067070 
H27 H    -0.571584900     2.181565210     0.950064980 
H28 H    -0.517220770     2.582008190     1.319809940 
H29 H    -0.533823160     2.387425040     1.459481650 
H30 H    -0.627887770     2.963712450     0.855929350 
H31 H    -0.725388270     3.217556040     0.614085760 
H32 H    -0.831369390     3.574187330     0.280321870 
H33 H    -0.930708180     3.738316720     0.116703010 
H34 H    -0.827940580     2.864565290     0.859434320 
H35 H    -0.729279050     2.701737740     1.021987750 
H36 H    -0.995240070     3.369729260     0.402077070 
H37 H    -0.933704600     3.008619990     0.472985640 
H38 H    -0.913493690     3.193274780     0.811141500 

#END
data_-162.920_gel26a_60_31917 
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 51.9584
_cell_length_b 9.7503
_cell_length_c 9.2742
_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     1.123560270     0.511798580     1.338645460 
C2 C     1.106494930     0.628265300     1.283196450 
C3 C     1.080545400     0.578343890     1.225302260 
C4 C     1.063327030     0.694071710     1.169563710 
C5 C     1.037390370     0.644196390     1.111598690 
C6 C     1.020215150     0.760089110     1.055786690 
C7 C     0.994278110     0.710485160     0.997585850 
C8 C     0.977175850     0.826597100     0.941577050 
C9 C     0.951244790     0.777352780     0.882961210 
C10 C     0.934249680     0.893738810     0.826560950 
C11 C     0.908340590     0.844850650     0.767348870 
C12 C     0.891484270     0.961524470     0.710280710 
C13 C     0.865604070     0.912709900     0.650841590 
C14 C     0.849110360     1.031107680     0.594125250 
C15 C     0.803415020     0.971576160     0.625083990 
C16 C     0.757215180     0.896708200     0.612549770 
C17 C     0.738480920     0.842894870     0.519444130 
C18 C     0.713768350     0.816233960     0.567382290 
C19 C     0.707015790     0.842605180     0.710607300 
C20 C     0.725538210     0.895863180     0.803811550 
C21 C     0.750465210     0.922905210     0.755571700 
C22 C     0.674466660     0.839340060     0.891810950 
N1 N     0.824402680     0.987521350     0.536252060 
N2 N     0.781878970     0.921296000     0.554807210 
O1 O     0.804051060     1.001062750     0.752985600 
O2 O     0.682164060     0.813052940     0.747793640 
H1 H     1.141958160     0.550250150     1.379099270 
H2 H     1.114154580     0.456222930     1.426586720 
H3 H     1.127671540     0.437725210     1.253036820 
H4 H     1.116619550     0.684330640     1.197836710 
H5 H     1.103151530     0.702477080     1.370025650 
H6 H     1.083867600     0.504050910     1.138373950 
H7 H     1.070396390     0.522202930     1.310668260 
H8 H     1.073497090     0.750191470     1.084279520 
H9 H     1.060013070     0.768296910     1.256540830 
H10 H     1.040697370     0.569939880     1.024642890 
H11 H     1.027202580     0.588163750     1.196869510 
H12 H     1.030423890     0.816160400     0.970612880 
H13 H     1.016904040     0.834306820     1.142770220 
H14 H     0.997583230     0.636180410     0.910670690 
H15 H     0.984038420     0.654589070     1.082757910 
H16 H     0.987449740     0.882568310     0.856573230 
H17 H     0.973856190     0.900826300     1.028535030 
H18 H     0.954558790     0.702946360     0.796150040 
H19 H     0.940920970     0.721691960     0.967974100 
H20 H     0.944621430     0.949535280     0.741794290 
H21 H     0.930899540     0.968008020     0.913430660 
H22 H     0.911674910     0.770261760     0.680741870 
H23 H     0.897879680     0.789653760     0.852114620 
H24 H     0.902004130     1.016955730     0.625753410 
H25 H     0.888098640     1.035883290     0.796984490 
H26 H     0.868757480     0.838235350     0.563975570 
H27 H     0.854750230     0.859858560     0.735337180 
H28 H     0.859354180     1.086839010     0.509306050 
H29 H     0.845184500     1.103248610     0.681350750 
H30 H     0.823391540     0.961060250     0.431540840 
H31 H     0.783601810     0.900412410     0.448854560 
H32 H     0.743366530     0.821682470     0.407802600 
H33 H     0.699307300     0.774802830     0.495489820 
H34 H     0.720970980     0.917410030     0.915287070 
H35 H     0.764725450     0.964023780     0.828117060 
H36 H     0.654299220     0.809662370     0.898261560 
H37 H     0.685644480     0.778436170     0.968937260 
H38 H     0.676340560     0.948294800     0.918988330 

#END
data_-162.920_gel26a_60_13976 
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 51.9584
_cell_length_b 9.7503
_cell_length_c 9.2742
_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     0.876439740     0.011798600     0.161354550 
C2 C     0.893505080     0.128265310     0.216803550 
C3 C     0.919454610     0.078343910     0.274697750 
C4 C     0.936672980     0.194071720     0.330436290 
C5 C     0.962609640     0.144196410     0.388401330 
C6 C     0.979784860     0.260089110     0.444213320 
C7 C     1.005721900     0.210485180     0.502414170 
C8 C     1.022824160     0.326597100     0.558422970 
C9 C     1.048755220     0.277352790     0.617038820 
C10 C     1.065750320     0.393738810     0.673439080 
C11 C     1.091659410     0.344850660     0.732651170 
C12 C     1.108515730     0.461524460     0.789719320 
C13 C     1.134395930     0.412709910     0.849158450 
C14 C     1.150889640     0.531107670     0.905874790 
C15 C     1.196584980     0.471576160     0.874916060 
C16 C     1.242784820     0.396708200     0.887450300 
C17 C     1.261519080     0.342894890     0.980555950 
C18 C     1.286231650     0.316233980     0.932617790 
C19 C     1.292984210     0.342605170     0.789392780 
C20 C     1.274461790     0.395863160     0.696188510 
C21 C     1.249534790     0.422905190     0.744428360 
C22 C     1.325533340     0.339340030     0.608189120 
N1 N     1.175597330     0.487521350     0.963747990 
N2 N     1.218121030     0.421296010     0.945192850 
O1 O     1.195948950     0.501062720     0.747014440 
O2 O     1.317835940     0.313052930     0.752206440 
H1 H     0.858041850     0.050250170     0.120900720 
H2 H     0.885845430    -0.043777050     0.073413280 
H3 H     0.872328470    -0.062274740     0.246963200 
H4 H     0.883380460     0.184330650     0.302163290 
H5 H     0.896848480     0.202477070     0.129974340 
H6 H     0.916132410     0.004050960     0.361626070 
H7 H     0.929603620     0.022202950     0.189331750 
H8 H     0.926502920     0.250191470     0.415720490 
H9 H     0.939986940     0.268296890     0.243459160 
H10 H     0.959302640     0.069939930     0.475357140 
H11 H     0.972797430     0.088163770     0.303130510 
H12 H     0.969576120     0.316160410     0.529387130 
H13 H     0.983095970     0.334306800     0.357229770 
H14 H     1.002416780     0.136180450     0.589329350 
H15 H     1.015961590     0.154589090     0.417242110 
H16 H     1.012550270     0.382568320     0.643426780 
H17 H     1.026143820     0.400826280     0.471464980 
H18 H     1.045441220     0.202946400     0.703850000 
H19 H     1.059079030     0.221691970     0.532025930 
H20 H     1.055378570     0.449535280     0.758205730 
H21 H     1.069100470     0.468007990     0.586569350 
H22 H     1.088325100     0.270261790     0.819258180 
H23 H     1.102120320     0.289653760     0.647885420 
H24 H     1.097995880     0.516955720     0.874246620 
H25 H     1.111901360     0.535883260     0.703015530 
H26 H     1.131242530     0.338235380     0.936024500 
H27 H     1.145249770     0.359858570     0.764662860 
H28 H     1.140645820     0.586839000     0.990693980 
H29 H     1.154815510     0.603248580     0.818649280 
H30 H     1.176608460     0.461060270     1.068459220 
H31 H     1.216398190     0.400412430     1.051145510 
H32 H     1.256633470     0.321682510     1.092197490 
H33 H     1.300692700     0.274802860     1.004510280 
H34 H     1.279029020     0.417409990     0.584712980 
H35 H     1.235274560     0.464023740     0.671882980 
H36 H     1.345700780     0.309662350     0.601738520 
H37 H     1.314355520     0.278436150     0.531062810 
H38 H     1.323659450     0.448294750     0.581011730 

#END
data_-162.877_gel26a_14_29935 
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 25.4509
_cell_length_b 9.6931
_cell_length_c 9.6848
_cell_angle_alpha 90.0
_cell_angle_beta 104.0264
_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     0.701853320     0.620723060     0.299234370 
C2 C     0.741014800     0.718335730     0.397910610 
C3 C     0.789822010     0.644001260     0.491936390 
C4 C     0.829250300     0.740739420     0.591057300 
C5 C     0.878030330     0.666454250     0.685131170 
C6 C     0.917374730     0.763382350     0.784263570 
C7 C     0.966159960     0.689345340     0.878593290 
C8 C     1.005356440     0.786529200     0.977803710 
C9 C     1.054130920     0.712816990     1.072555080 
C10 C     1.093103400     0.810320060     1.171967750 
C11 C     1.141826320     0.736925600     1.267277950 
C12 C     1.180498580     0.834761390     1.367091480 
C13 C     1.229156090     0.761442060     1.462568140 
C14 C     1.267180990     0.861294180     1.561632300 
C15 C     1.360082420     0.770147460     1.608684700 
C16 C     1.451438340     0.659609340     1.694604430 
C17 C     1.483634320     0.583838300     1.807290390 
C18 C     1.535450330     0.542758950     1.804761060 
C19 C     1.556724590     0.576276640     1.688848080 
C20 C     1.524942900     0.651344250     1.576382670 
C21 C     1.472689780     0.692938530     1.578849520 
C22 C     1.631496600     0.564068160     1.581158850 
N1 N     1.313744810     0.794188920     1.654242770 
N2 N     1.399211410     0.697739140     1.705969270 
O1 O     1.365570800     0.811046380     1.493763560 
O2 O     1.608235380     0.531284820     1.696079150 
H1 H     0.667384550     0.676405180     0.233543850 
H2 H     0.722079190     0.566141640     0.227705830 
H3 H     0.685942840     0.542935390     0.360244960 
H4 H     0.719430430     0.774176320     0.465808640 
H5 H     0.755390960     0.796952650     0.334384860 
H6 H     0.775481480     0.565279030     0.555581060 
H7 H     0.811453260     0.588067660     0.424066810 
H8 H     0.807577690     0.796675190     0.658809890 
H9 H     0.843572220     0.819404990     0.527343060 
H10 H     0.863722070     0.587754190     0.748834160 
H11 H     0.899743690     0.610590160     0.617435610 
H12 H     0.895623970     0.819309220     0.851836660 
H13 H     0.931690620     0.842043250     0.720537140 
H14 H     0.951854780     0.610599560     0.942255580 
H15 H     0.987983960     0.633568430     0.811103080 
H16 H     0.983472400     0.842421350     1.045086580 
H17 H     1.019689600     0.865192730     0.914118130 
H18 H     1.039806300     0.633986290     1.136091030 
H19 H     1.076135000     0.657195310     1.005398800 
H20 H     1.071017160     0.866134300     1.238828040 
H21 H     1.107498210     0.888992300     1.108425070 
H22 H     1.127458500     0.657947320     1.330562990 
H23 H     1.164128610     0.681637750     1.200665830 
H24 H     1.158096140     0.890347370     1.433408350 
H25 H     1.194964780     0.913480920     1.303779360 
H26 H     1.215158590     0.682416590     1.526439960 
H27 H     1.252384040     0.708156520     1.397253560 
H28 H     1.245354380     0.916941740     1.628766770 
H29 H     1.282673030     0.937448650     1.498521730 
H30 H     1.310147280     0.758030770     1.748903610 
H31 H     1.390185760     0.669086160     1.797533240 
H32 H     1.467800560     0.556772920     1.898244800 
H33 H     1.560307150     0.484375570     1.891780800 
H34 H     1.540127210     0.678969390     1.485043400 
H35 H     1.448259870     0.750916030     1.491553170 
H36 H     1.672023650     0.519835920     1.608097370 
H37 H     1.608328840     0.518948900     1.481066090 
H38 H     1.634409620     0.675892660     1.567874210 

#END
data_-162.709_gel26a_4_19062 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 26.8888
_cell_length_b 5.0504
_cell_length_c 8.6414
_cell_angle_alpha 90.0
_cell_angle_beta 106.6606
_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     0.238402270     0.178075560     0.573741740 
C2 C     0.266336580     0.057003690     0.459385690 
C3 C     0.321175810     0.166766580     0.485105130 
C4 C     0.349457740     0.046917190     0.371291700 
C5 C     0.404269140     0.156715360     0.396901700 
C6 C     0.432456290     0.036771070     0.282844860 
C7 C     0.487254750     0.146464330     0.308052720 
C8 C     0.515285310     0.026532830     0.193572850 
C9 C     0.570054280     0.136218910     0.218157270 
C10 C     0.597858030     0.016498720     0.103011460 
C11 C     0.652566760     0.126421240     0.126809270 
C12 C     0.680081330     0.007265610     0.010724590 
C13 C     0.734729580     0.117392390     0.034245530 
C14 C     0.761423790    -0.004217420    -0.083372190 
C15 C     0.855712990    -0.012287620     0.046347950 
C16 C     0.952087860     0.053598250     0.153834350 
C17 C     0.992934350     0.220359390     0.145165360 
C18 C     1.043454170     0.170349580     0.236021460 
C19 C     1.054703660    -0.048886810     0.338896070 
C20 C     1.014309930    -0.215230200     0.348349880 
C21 C     0.963342880    -0.165139520     0.256679500 
C22 C     1.118853450    -0.303156340     0.528344820 
N1 N     0.813436080     0.097952850    -0.064192370 
N2 N     0.901832370     0.118372980     0.056796060 
O1 O     0.852130810    -0.208406050     0.125078280 
O2 O     1.105718330    -0.081923350     0.423566960 
H1 H     0.199356690     0.096582650     0.552628330 
H2 H     0.259757140     0.140001220     0.699987370 
H3 H     0.234740160     0.392891940     0.557976230 
H4 H     0.243506320     0.092137660     0.333914530 
H5 H     0.268452340    -0.158544010     0.475046600 
H6 H     0.319107360     0.382524550     0.469455380 
H7 H     0.344058870     0.131703620     0.610671740 
H8 H     0.326533410     0.081937550     0.245780700 
H9 H     0.351513220    -0.168792380     0.387023450 
H10 H     0.402229150     0.372435560     0.381220520 
H11 H     0.427224130     0.121564380     0.522356050 
H12 H     0.409456860     0.071775020     0.157411420 
H13 H     0.434506450    -0.178932020     0.298584010 
H14 H     0.485220970     0.362202340     0.292444490 
H15 H     0.510306300     0.111173050     0.433386420 
H16 H     0.492160480     0.061554940     0.068271760 
H17 H     0.517352040    -0.189166360     0.209293320 
H18 H     0.568007810     0.351988040     0.202701130 
H19 H     0.593261580     0.100679110     0.343285190 
H20 H     0.574546290     0.051605070    -0.022086260 
H21 H     0.599983870    -0.199188630     0.118668360 
H22 H     0.650488700     0.342230420     0.111634660 
H23 H     0.676023390     0.090346090     0.251548450 
H24 H     0.656492900     0.042788590    -0.114082180 
H25 H     0.682273930    -0.208393340     0.026222920 
H26 H     0.733007600     0.333128500     0.019003020 
H27 H     0.758842500     0.077795360     0.157424060 
H28 H     0.738371170     0.030888890    -0.208298320 
H29 H     0.764813680    -0.217987120    -0.065025440 
H30 H     0.817475150     0.261240930    -0.126200720 
H31 H     0.900115760     0.278512870    -0.014066920 
H32 H     0.984955740     0.391728810     0.065972470 
H33 H     1.074977930     0.298947610     0.229226110 
H34 H     1.021635720    -0.386488150     0.426741980 
H35 H     0.932233500    -0.294324540     0.264499970 
H36 H     1.160693910    -0.293115850     0.582478660 
H37 H     1.099489360    -0.295248600     0.623930560 
H38 H     1.108966640    -0.490064350     0.462171220 

#END
data_-162.709_gel26a_4_11833 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 8.6414
_cell_length_b 5.0504
_cell_length_c 25.7768
_cell_angle_alpha 90.0
_cell_angle_beta 92.0727
_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    -0.835339470     1.234400600     0.738402280 
C2 C    -0.693049060     1.355472400     0.766336600 
C3 C    -0.663929310     1.245709580     0.821175830 
C4 C    -0.521833910     1.365558890     0.849457760 
C5 C    -0.492632540     1.255760800     0.904269170 
C6 C    -0.350388510     1.375705020     0.932456310 
C7 C    -0.320797940     1.266011830     0.987254790 
C8 C    -0.178287470     1.385943260     1.015285350 
C9 C    -0.148102950     1.276257250     1.070054330 
C10 C    -0.005153350     1.395977370     1.097858070 
C11 C     0.025757530     1.286054920     1.152566810 
C12 C     0.169356830     1.405210470     1.180081390 
C13 C     0.200484100     1.295083770     1.234729640 
C14 C     0.344796080     1.416693510     1.261423850 
C15 C     0.309365100     1.424763780     1.355713060 
C16 C     0.298253520     1.358878010     1.452087940 
C17 C     0.347768960     1.192116940     1.492934440 
C18 C     0.307432670     1.242126780     1.543454260 
C19 C     0.215807570     1.461363130     1.554703750 
C20 C     0.165960070     1.627706450     1.514310010 
C21 C     0.206663410     1.577615730     1.463342950 
C22 C     0.090508610     1.715632660     1.618853540 
N1 N     0.377628510     1.314523300     1.313436140 
N2 N     0.345036340     1.294103250     1.401832440 
O1 O     0.227052610     1.620882170     1.352130870 
O2 O     0.182151330     1.494399700     1.605718420 
H1 H    -0.853271610     1.315893450     0.699356700 
H2 H    -0.940230250     1.272474970     0.759757150 
H3 H    -0.823236110     1.019584290     0.734740170 
H4 H    -0.590408140     1.320338390     0.743506330 
H5 H    -0.706594180     1.571020030     0.768452350 
H6 H    -0.650348050     1.029951670     0.819107380 
H7 H    -0.766612880     1.280772570     0.844058890 
H8 H    -0.419247210     1.330538500     0.826533430 
H9 H    -0.535510130     1.581268400     0.851513240 
H10 H    -0.478991390     1.040040670     0.902229180 
H11 H    -0.595131920     1.290911810     0.927224150 
H12 H    -0.247954480     1.340701030     0.909456880 
H13 H    -0.364077460     1.591408040     0.934506480 
H14 H    -0.307223530     1.050273890     0.985221000 
H15 H    -0.423080120     1.301303150     1.010306340 
H16 H    -0.076111180     1.350921120     0.992160520 
H17 H    -0.191941170     1.601642370     1.017352080 
H18 H    -0.134693330     1.060488190     1.068007850 
H19 H    -0.250023600     1.311797080     1.093261620 
H20 H     0.096632650     1.360870980     1.074546330 
H21 H    -0.018684370     1.611664650     1.099983920 
H22 H     0.038854040     1.070245810     1.150488750 
H23 H    -0.075525040     1.322130100     1.176023440 
H24 H     0.270575190     1.369687460     1.156492950 
H25 H     0.156051140     1.620869350     1.182273980 
H26 H     0.214004600     1.079347740     1.233007660 
H27 H     0.101418470     1.334680830     1.258842560 
H28 H     0.446669610     1.381587160     1.238371230 
H29 H     0.329839260     1.630463140     1.264813740 
H30 H     0.443675920     1.151235260     1.317475220 
H31 H     0.414182690     1.133963400     1.400115840 
H32 H     0.418983230     1.020747560     1.484955830 
H33 H     0.345751750     1.113528810     1.574978020 
H34 H     0.094893780     1.798964370     1.521635800 
H35 H     0.167733590     1.706800700     1.432233570 
H36 H     0.078215200     1.705592210     1.660694000 
H37 H    -0.024441230     1.707724950     1.599489450 
H38 H     0.146795450     1.902540570     1.608966730 

#END
data_-162.663_gel26a_14_19188 
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 5.1056
_cell_length_b 8.4888
_cell_length_c 78.5257
_cell_angle_alpha 90.0
_cell_angle_beta 140.0789
_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     1.507904670    -0.082036460     0.406127670 
C2 C     1.485771170     0.011119100     0.388373090 
C3 C     1.297940490    -0.082972610     0.364340480 
C4 C     1.274397100     0.009166540     0.346449970 
C5 C     1.086869650    -0.084890170     0.322431580 
C6 C     1.064017060     0.007434670     0.304584230 
C7 C     0.877081470    -0.086411650     0.280567360 
C8 C     0.855516720     0.006137590     0.262795870 
C9 C     0.669642420    -0.087460640     0.238790300 
C10 C     0.650154410     0.005330850     0.221133740 
C11 C     0.465879180    -0.088073750     0.197160620 
C12 C     0.449375090     0.004902930     0.179658280 
C13 C     0.265904510    -0.088479010     0.155719390 
C14 C     0.253402790     0.006760660     0.138548440 
C15 C    -0.332608150    -0.082021230     0.092232730 
C16 C    -0.843267010    -0.202888750     0.046809540 
C17 C    -0.883360600    -0.307864490     0.031112010 
C18 C    -1.260695000    -0.339042360     0.005144210 
C19 C    -1.611102860    -0.265926350    -0.005958580 
C20 C    -1.573759710    -0.161679230     0.009529940 
C21 C    -1.193314870    -0.130029430     0.035717600 
C22 C    -2.331888380    -0.231505530    -0.043818010 
N1 N     0.081856920    -0.079528210     0.115675370 
N2 N    -0.447624430    -0.177400160     0.073022210 
O1 O    -0.570361850    -0.005167850     0.088998640 
O2 O    -1.969566690    -0.304076190    -0.031734970 
H1 H     1.643627760    -0.012233580     0.423132850 
H2 H     1.203624710    -0.118644040     0.395123250 
H3 H     1.692246030    -0.188596350     0.413782610 
H4 H     1.792887640     0.049710040     0.400031750 
H5 H     1.307385530     0.118847180     0.381464040 
H6 H     1.476259130    -0.190839200     0.371231920 
H7 H     0.990512430    -0.121661830     0.352658080 
H8 H     1.581879850     0.047877640     0.358151940 
H9 H     1.096039600     0.116983360     0.339566700 
H10 H     1.265094580    -0.192738730     0.329307720 
H11 H     0.779259660    -0.123525650     0.310710540 
H12 H     1.371676580     0.046161840     0.316323360 
H13 H     0.885674320     0.115247860     0.297703810 
H14 H     1.055182500    -0.194299580     0.287441270 
H15 H     0.569166580    -0.124974320     0.268793980 
H16 H     1.163497960     0.044866350     0.274598320 
H17 H     0.677137580     0.113947670     0.255907250 
H18 H     0.847585370    -0.195415160     0.245672130 
H19 H     0.361237750    -0.125889940     0.226931840 
H20 H     0.958644640     0.044029350     0.233032190 
H21 H     0.471639200     0.113129780     0.214215830 
H22 H     0.643550510    -0.196138350     0.204060620 
H23 H     0.156687220    -0.126194590     0.185161870 
H24 H     0.758831920     0.043405260     0.191706820 
H25 H     0.270848160     0.112713320     0.172707260 
H26 H     0.442180470    -0.196650340     0.162440510 
H27 H    -0.045975170    -0.124467000     0.143290470 
H28 H     0.560578190     0.045271660     0.150319290 
H29 H     0.066960820     0.111942030     0.131070180 
H30 H     0.270135100    -0.145330290     0.117862000 
H31 H    -0.224620010    -0.235502750     0.077931100 
H32 H    -0.614626650    -0.365857720     0.039392900 
H33 H    -1.291547410    -0.419965770    -0.006973870 
H34 H    -1.838546430    -0.103136790     0.001571740 
H35 H    -1.166102020    -0.049371140     0.047619220 
H36 H    -2.577497490    -0.276873670    -0.064012280 
H37 H    -2.392798310    -0.261713320    -0.033523400 
H38 H    -2.317840060    -0.103033150    -0.044396870 

#END
data_-162.574_gel26a_2_1417 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 8.8891
_cell_length_b 10.7106
_cell_length_c 28.2539
_cell_angle_alpha 63.827
_cell_angle_beta 112.1895
_cell_angle_gamma 152.6467
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     1.530921880     1.055312940     0.278740970 
C2 C     1.488162730     1.116957790     0.306744430 
C3 C     1.329007580     0.923727490     0.362062960 
C4 C     1.285125860     0.983671160     0.390417580 
C5 C     1.125846750     0.790431090     0.445707300 
C6 C     1.081914230     0.850580810     0.473965050 
C7 C     0.922302210     0.657404280     0.529239920 
C8 C     0.878085580     0.717718510     0.557337040 
C9 C     0.717808650     0.524496930     0.612578900 
C10 C     0.672919380     0.584844770     0.640442590 
C11 C     0.511579600     0.391352330     0.695618850 
C12 C     0.465423260     0.451428340     0.723183660 
C13 C     0.303636940     0.257778640     0.778296770 
C14 C     0.259393510     0.321390990     0.805030370 
C15 C     0.287995960     0.202994550     0.901109260 
C16 C     0.211489220     0.002544480     0.998985940 
C17 C    -0.027208310    -0.232312730     1.039818840 
C18 C     0.060002850    -0.245868960     1.091529400 
C19 C     0.390161700    -0.023988150     1.104025460 
C20 C     0.628707120     0.209861330     1.063653510 
C21 C     0.541088640     0.223904410     1.011486080 
C22 C     0.783839730     0.164700320     1.170578340 
N1 N     0.104495510     0.139268410     0.857475830 
N2 N     0.101507910    -0.000318670     0.947471540 
O1 O     0.586673110     0.420665820     0.898414290 
O2 O     0.451990900    -0.056572110     1.156159460 
H1 H     1.644512910     1.195853160     0.239348810 
H2 H     1.685764900     1.080681960     0.301093210 
H3 H     1.294596070     0.839839570     0.274377940 
H4 H     1.339264110     1.097005850     0.282911350 
H5 H     1.727228660     1.335571280     0.309544420 
H6 H     1.089671600     0.704827910     0.359310320 
H7 H     1.477869750     0.943539830     0.385949740 
H8 H     1.136427540     0.963975340     0.366489440 
H9 H     1.524522850     1.202554670     0.393157380 
H10 H     0.886475480     0.571520590     0.442983410 
H11 H     1.274574490     0.810203140     0.469666520 
H12 H     0.933423560     0.831031090     0.449961370 
H13 H     1.321320140     1.069467160     0.476699500 
H14 H     0.682987340     0.438477480     0.526522620 
H15 H     1.070906810     0.677149510     0.553296590 
H16 H     0.729897540     0.698366790     0.533207120 
H17 H     1.117443600     0.936572090     0.560088150 
H18 H     0.478652500     0.305582260     0.609849460 
H19 H     0.866224950     0.544219750     0.636792770 
H20 H     0.525129920     0.565730900     0.616124380 
H21 H     0.912112200     0.803584060     0.643253140 
H22 H     0.272746410     0.172490570     0.692858790 
H23 H     0.659769600     0.411169920     0.720084440 
H24 H     0.317908900     0.432367820     0.698585880 
H25 H     0.704314730     0.670009590     0.726060870 
H26 H     0.064318620     0.038425110     0.775896810 
H27 H     0.452813210     0.279911840     0.803427830 
H28 H     0.111448350     0.301900030     0.780975200 
H29 H     0.497950590     0.536630590     0.809128370 
H30 H    -0.141569350    -0.043053710     0.860806690 
H31 H    -0.143588350    -0.171854600     0.944942470 
H32 H    -0.284993330    -0.406827480     1.030881620 
H33 H    -0.124228870    -0.427035660     1.123042410 
H34 H     0.886347550     0.385154590     1.071925870 
H35 H     0.726539280     0.405184050     0.980399130 
H36 H     0.778455220     0.097753640     1.213158840 
H37 H     0.911138010     0.201935050     1.151453980 
H38 H     0.915920350     0.359968220     1.160740180 

#END
data_-162.574_gel26a_2_2937 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 25.4174
_cell_length_b 35.9225
_cell_length_c 4.9607
_cell_angle_alpha 132.3803
_cell_angle_beta 86.1475
_cell_angle_gamma 49.4659
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.918127300    -0.696868220    -2.818394770 
C2 C     0.757716280    -0.564460680    -2.246005520 
C3 C     0.681154410    -0.543217320    -2.001876860 
C4 C     0.520619680    -0.411037240    -1.429274880 
C5 C     0.444001250    -0.389708510    -1.184680810 
C6 C     0.283403410    -0.257368440    -0.611388050 
C7 C     0.206418230    -0.235658110    -0.364934640 
C8 C     0.045693030    -0.103030060     0.209794120 
C9 C    -0.031846010    -0.080732870     0.459259880 
C10 C    -0.192810580     0.052368000     1.036552600 
C11 C    -0.271010410     0.075391580     1.289986720 
C12 C    -0.432372470     0.209188810     1.871331950 
C13 C    -0.510735280     0.232438530     2.126117190 
C14 C    -0.672058340     0.367027970     2.708718340 
C15 C    -0.717217160     0.316107920     2.476435700 
C16 C    -0.789027120     0.290041230     2.448675720 
C17 C    -0.874533210     0.334714430     2.866066160 
C18 C    -0.877186910     0.285657570     2.582627570 
C19 C    -0.793900950     0.189875560     1.869340590 
C20 C    -0.708461160     0.144807700     1.450523620 
C21 C    -0.705787900     0.194301860     1.736118760 
C22 C    -0.722017120     0.051438850     0.921915610 
N1 N    -0.749724650     0.392248840     2.964499850 
N2 N    -0.793116520     0.345645020     2.781072200 
O1 O    -0.630821330     0.232407050     1.842955020 
O2 O    -0.803755770     0.147596390     1.638394680 
H1 H     0.969962380    -0.709311160    -2.981757610 
H2 H     1.002896860    -0.803990010    -3.401724970 
H3 H     0.906000960    -0.680378830    -2.516111300 
H4 H     0.676435700    -0.459347030    -1.676652330 
H5 H     0.772568730    -0.582113130    -2.555681340 
H6 H     0.666223320    -0.525533580    -1.691805850 
H7 H     0.762430730    -0.648380420    -2.571391440 
H8 H     0.439473390    -0.305962820    -0.860278890 
H9 H     0.535653540    -0.428810910    -1.739766630 
H10 H     0.428988300    -0.371971650    -0.874362000 
H11 H     0.525038550    -0.494705030    -1.753394600 
H12 H     0.202469770    -0.152431130    -0.043148140 
H13 H     0.298454050    -0.275153540    -0.921934470 
H14 H     0.191464790    -0.217987360    -0.054936710 
H15 H     0.287164300    -0.340460850    -0.932750190 
H16 H    -0.034883500     0.001676390     0.776807970 
H17 H     0.060695240    -0.120783380    -0.100577270 
H18 H    -0.046628560    -0.063220850     0.768464190 
H19 H     0.048419800    -0.185212530    -0.107075080 
H20 H    -0.272849800     0.156725430     1.601771730 
H21 H    -0.177978190     0.034725040     0.726787840 
H22 H    -0.285461660     0.092602920     1.597665380 
H23 H    -0.191569100    -0.028515300     0.726169200 
H24 H    -0.511630800     0.313044920     2.434270740 
H25 H    -0.417816680     0.191755810     1.562708370 
H26 H    -0.525900090     0.250003320     2.435694760 
H27 H    -0.433954260     0.130526460     1.569292660 
H28 H    -0.752402240     0.471427040     3.274259750 
H29 H    -0.656936900     0.347808520     2.393283360 
H30 H    -0.820129110     0.459322450     3.478859230 
H31 H    -0.861618710     0.416676280     3.310293580 
H32 H    -0.939929040     0.409047490     3.421183450 
H33 H    -0.943277910     0.320235580     2.905171360 
H34 H    -0.642658680     0.070732860     0.896583780 
H35 H    -0.639443020     0.159043920     1.409636300 
H36 H    -0.745615910     0.032457160     0.851373360 
H37 H    -0.593704800    -0.057749110     0.357865520 
H38 H    -0.765528150     0.104788020     1.003231590 

#END
data_-162.515_gel26a_14_13959 
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 31.6652
_cell_length_b 7.9363
_cell_length_c 8.9418
_cell_angle_alpha 90.0
_cell_angle_beta 89.3503
_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     0.735735310     0.792583420    -0.082607540 
C2 C     0.776858420     0.793375620     0.005539580 
C3 C     0.816261210     0.777404310    -0.094209000 
C4 C     0.857571400     0.778068870    -0.007107880 
C5 C     0.896967340     0.762001860    -0.106780640 
C6 C     0.938237700     0.762525470    -0.019422050 
C7 C     0.977683950     0.746258370    -0.118806800 
C8 C     1.018889530     0.746452940    -0.031070650 
C9 C     1.058404180     0.729795360    -0.130056330 
C10 C     1.099521400     0.729385910    -0.041810020 
C11 C     1.139100630     0.712105570    -0.140360360 
C12 C     1.180114860     0.710725850    -0.051514900 
C13 C     1.219683400     0.693150860    -0.149922500 
C14 C     1.260288190     0.691705780    -0.058610900 
C15 C     1.317809830     0.813416210    -0.211222980 
C16 C     1.379404540     0.885978510    -0.378568900 
C17 C     1.411822870     0.815227700    -0.466461200 
C18 C     1.440046050     0.915991500    -0.544741760 
C19 C     1.436666380     1.091410540    -0.537557980 
C20 C     1.404494660     1.162620530    -0.450657340 
C21 C     1.376027570     1.061136530    -0.371549280 
C22 C     1.463893340     1.358569970    -0.613391110 
N1 N     1.298455440     0.674313990    -0.149418310 
N2 N     1.352129010     0.774272520    -0.302063460 
O1 O     1.305665810     0.956654350    -0.185564580 
O2 O     1.465997730     1.180237850    -0.618587350 
H1 H     0.708136390     0.803881740    -0.008727260 
H2 H     0.734871730     0.897334110    -0.162107540 
H3 H     0.732441010     0.675797040    -0.146493200 
H4 H     0.776444690     0.689947010     0.086843470 
H5 H     0.778920600     0.909830270     0.071027640 
H6 H     0.814233240     0.660872280    -0.159817600 
H7 H     0.816702850     0.880877910    -0.175638800 
H8 H     0.857088520     0.674633560     0.074338030 
H9 H     0.859576100     0.894622080     0.058445330 
H10 H     0.894967610     0.645480690    -0.172380620 
H11 H     0.897485130     0.865479120    -0.188171690 
H12 H     0.937682510     0.659115300     0.062045570 
H13 H     0.940236910     0.879077880     0.046128830 
H14 H     0.975678250     0.629775660    -0.184461790 
H15 H     0.978299810     0.849769870    -0.200155950 
H16 H     1.018212620     0.643064070     0.050415340 
H17 H     1.020904910     0.862998700     0.034476280 
H18 H     1.056365260     0.613385400    -0.195802650 
H19 H     1.059180130     0.833366140    -0.211323280 
H20 H     1.098661460     0.626004420     0.039679370 
H21 H     1.101594090     0.845910880     0.023721700 
H22 H     1.136993870     0.595835640    -0.206262790 
H23 H     1.140143350     0.815802540    -0.221411480 
H24 H     1.178981850     0.607205530     0.029881870 
H25 H     1.182264920     0.827166740     0.014046120 
H26 H     1.217876960     0.577019690    -0.216053200 
H27 H     1.221533940     0.797889610    -0.229334060 
H28 H     1.259613420     0.588534570     0.022561580 
H29 H     1.262966260     0.809448820     0.003587600 
H30 H     1.308900770     0.557653460    -0.173770450 
H31 H     1.359246570     0.651399190    -0.315247370 
H32 H     1.414946040     0.679187250    -0.473479470 
H33 H     1.465082060     0.861374500    -0.612474850 
H34 H     1.400958140     1.297850610    -0.442660290 
H35 H     1.351183800     1.116838490    -0.304562510 
H36 H     1.489757750     1.403778540    -0.683905460 
H37 H     1.433910360     1.405402030    -0.657221180 
H38 H     1.467961700     1.405922840    -0.499299820 

#END
data_-162.236_gel26a_4_1887 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 8.6997
_cell_length_b 4.9407
_cell_length_c 50.2979
_cell_angle_alpha 90.0
_cell_angle_beta 31.8261
_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     1.432781860     0.796018250     0.763039420 
C2 C     1.416133390     0.666299910     0.793060770 
C3 C     1.183447320     0.794382820     0.845073080 
C4 C     1.165020460     0.666056630     0.875413630 
C5 C     0.932552080     0.794155890     0.927399440 
C6 C     0.914723650     0.665681630     0.957651020 
C7 C     0.682674000     0.793624110     1.009629730 
C8 C     0.665870860     0.665075350     1.039732470 
C9 C     0.434523770     0.792930670     1.091689000 
C10 C     0.419275030     0.664464000     1.121574340 
C11 C     0.188931210     0.792453580     1.173477350 
C12 C     0.175778130     0.664381460     1.203082820 
C13 C    -0.054043150     0.792531870     1.254927090 
C14 C    -0.062719000     0.661583350     1.283776620 
C15 C    -0.562796300     0.691499330     1.374726390 
C16 C    -1.042932520     0.794595800     1.467039880 
C17 C    -1.181597190     0.973261320     1.505027510 
C18 C    -1.474164180     0.945285630     1.554095320 
C19 C    -1.637768450     0.736910420     1.566712060 
C20 C    -1.501611250     0.558871980     1.529153810 
C21 C    -1.206481210     0.586725940     1.479656190 
C22 C    -2.097948220     0.515882730     1.630585600 
N1 N    -0.278710330     0.780487530     1.333186630 
N2 N    -0.744139140     0.836941300     1.418114020 
O1 O    -0.642036040     0.500217030     1.372807090 
O2 O    -1.924807590     0.725607810     1.616120100 
H1 H     1.600748530     0.701096030     0.726077380 
H2 H     1.224961160     0.777194630     0.783061080 
H3 H     1.483799280     1.011897900     0.756977730 
H4 H     1.628839060     0.681861390     0.771624130 
H5 H     1.371331860     0.449286420     0.797620150 
H6 H     1.228070070     1.011623150     0.840557270 
H7 H     0.970447790     0.778917630     0.866559480 
H8 H     1.378128740     0.681474880     0.853886800 
H9 H     1.120377540     0.448871950     0.879915290 
H10 H     0.977086580     1.011361060     0.922912260 
H11 H     0.719361130     0.778605590     0.948958460 
H12 H     1.128058160     0.681073890     0.936050130 
H13 H     0.870095700     0.448503100     0.962147330 
H14 H     0.727116970     1.010857420     1.005147630 
H15 H     0.469195600     0.777940540     1.031286200 
H16 H     0.879585020     0.680470900     1.018007300 
H17 H     0.621194520     0.447902670     1.044245130 
H18 H     0.478877920     1.010210280     1.087192500 
H19 H     0.220590050     0.777008230     1.113503030 
H20 H     0.633555080     0.679923370     1.099663170 
H21 H     0.374422870     0.447310380     1.126145340 
H22 H     0.233151570     1.009799040     1.168946480 
H23 H    -0.025689620     0.776001880     1.195545950 
H24 H     0.390934700     0.680231180     1.180892820 
H25 H     0.130810420     0.447254550     1.207720440 
H26 H    -0.011192000     1.009881960     1.250746110 
H27 H    -0.270180030     0.772474400     1.277697450 
H28 H     0.150362540     0.677125920     1.262117080 
H29 H    -0.114964410     0.447003210     1.289531900 
H30 H    -0.220290650     0.940419720     1.335780590 
H31 H    -0.654679960     0.991233130     1.415210890 
H32 H    -1.058121050     1.136482010     1.495949400 
H33 H    -1.581091980     1.083056980     1.583415090 
H34 H    -1.621710860     0.395512080     1.537600510 
H35 H    -1.102233620     0.448577820     1.450738110 
H36 H    -2.315269970     0.542620460     1.670812610 
H37 H    -2.109349420     0.530342570     1.610538940 
H38 H    -2.015006410     0.315549310     1.623917470 

#END
data_-162.229_gel26a_14_5831 
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 8.9966
_cell_length_b 5.0112
_cell_length_c 51.8743
_cell_angle_alpha 90.0
_cell_angle_beta 74.3615
_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     0.088419980    -0.440455080     0.859196430 
C2 C     0.247295200    -0.322441010     0.845798250 
C3 C     0.321517520    -0.442009970     0.818169160 
C4 C     0.480502660    -0.325286310     0.804593830 
C5 C     0.554777860    -0.444885740     0.776980010 
C6 C     0.713822020    -0.328049910     0.763454710 
C7 C     0.788453820    -0.447539540     0.735851040 
C8 C     0.947614470    -0.330689130     0.722409150 
C9 C     1.022781360    -0.450163590     0.694826530 
C10 C     1.182160050    -0.333485960     0.681506620 
C11 C     1.257959400    -0.453184870     0.653963000 
C12 C     1.417699550    -0.337024370     0.640800440 
C13 C     1.493650070    -0.456917840     0.613290810 
C14 C     1.653367110    -0.338144730     0.600550230 
C15 C     1.701188940    -0.345929920     0.551556370 
C16 C     1.773423300    -0.428436390     0.501969660 
C17 C     1.854582170    -0.602981610     0.481943820 
C18 C     1.860261550    -0.561241370     0.455332560 
C19 C     1.784477430    -0.342744470     0.447908850 
C20 C     1.703393330    -0.168697290     0.467699330 
C21 C     1.697674710    -0.210442500     0.494545080 
C22 C     1.722642710    -0.097956950     0.412761290 
N1 N     1.728691850    -0.449575070     0.574390460 
N2 N     1.773988330    -0.485060890     0.528556660 
O1 O     1.621312760    -0.148197590     0.551947980 
O2 O     1.796810220    -0.318150270     0.421164020 
H1 H     0.038231890    -0.351941670     0.878885020 
H2 H     0.008008270    -0.406196890     0.847026070 
H3 H     0.095720890    -0.656168070     0.861909300 
H4 H     0.324326230    -0.353502530     0.858697530 
H5 H     0.237305110    -0.105740600     0.843866110 
H6 H     0.331581530    -0.658929910     0.820077950 
H7 H     0.244491400    -0.411029010     0.805242470 
H8 H     0.557402010    -0.356217950     0.817540700 
H9 H     0.470337650    -0.108413440     0.802690950 
H10 H     0.564923060    -0.661772070     0.778874590 
H11 H     0.477987900    -0.413827190     0.764017760 
H12 H     0.790512700    -0.358953270     0.776438740 
H13 H     0.703640410    -0.111182750     0.761554460 
H14 H     0.798541310    -0.664445190     0.737741830 
H15 H     0.711952630    -0.416354680     0.722840690 
H16 H     1.023953830    -0.361591150     0.735455360 
H17 H     0.937480360    -0.113828480     0.720500720 
H18 H     1.032702270    -0.667099310     0.696722340 
H19 H     0.946756580    -0.418752560     0.681738620 
H20 H     1.257969750    -0.364443620     0.694645630 
H21 H     1.172192570    -0.116646480     0.679568950 
H22 H     1.267557470    -0.670157230     0.655872140 
H23 H     1.182753920    -0.421272960     0.640751050 
H24 H     1.492733390    -0.368358400     0.654077900 
H25 H     1.408002070    -0.120223500     0.638830680 
H26 H     1.503955280    -0.673873880     0.615020290 
H27 H     1.421117690    -0.421556640     0.599750770 
H28 H     1.729482600    -0.369145160     0.613556500 
H29 H     1.643134410    -0.123455070     0.597953030 
H30 H     1.793761030    -0.614395770     0.573495110 
H31 H     1.837038050    -0.645734220     0.530649320 
H32 H     1.914138770    -0.773911010     0.487322580 
H33 H     1.922996360    -0.695845580     0.439878080 
H34 H     1.643413550     0.002229530     0.462659000 
H35 H     1.634723160    -0.075319250     0.509777940 
H36 H     1.747037870    -0.115115350     0.391098990 
H37 H     1.597457680    -0.103272300     0.421638490 
H38 H     1.768080250     0.092250790     0.417800560 

#END
data_-162.229_gel26a_14_23383 
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 8.9966
_cell_length_b 5.0112
_cell_length_c 63.9928
_cell_angle_alpha 90.0
_cell_angle_beta 51.3173
_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     0.743598670     0.940455040     0.640803560 
C2 C     0.822084790     0.822441010     0.654201740 
C3 C     0.730532540     0.942009920     0.681830840 
C4 C     0.808065690     0.825286300     0.695406170 
C5 C     0.716657930     0.944885690     0.723019990 
C6 C     0.794550280     0.828049910     0.736545300 
C7 C     0.703560090     0.947539500     0.764148960 
C8 C     0.782069370     0.830689120     0.777590850 
C9 C     0.691740520     0.950163550     0.805173480 
C10 C     0.771199700     0.833485960     0.818493390 
C11 C     0.681737310     0.953184830     0.846037020 
C12 C     0.762502110     0.837024380     0.859199570 
C13 C     0.673394840     0.956917810     0.886709200 
C14 C     0.756668370     0.838144730     0.899449790 
C15 C     0.510527030     0.845929860     0.948443650 
C16 C     0.285241140     0.928436270     0.998030360 
C17 C     0.246244970     1.102981450     1.018056200 
C18 C     0.092256800     1.061241190     1.044667460 
C19 C    -0.028069580     0.842744290     1.052091170 
C20 C     0.009589230     0.668697140     1.032300680 
C21 C     0.164945100     0.710442380     1.005454930 
C22 C    -0.300789590     0.597956740     1.087238720 
N1 N     0.675034500     0.949575040     0.925609560 
N2 N     0.445328190     0.985060800     0.971443360 
O1 O     0.433000530     0.648197550     0.948052040 
O2 O    -0.176205750     0.818150060     1.078836000 
H1 H     0.811542110     0.851941660     0.621114970 
H2 H     0.590164830     0.906196810     0.652973920 
H3 H     0.767176760     1.156167990     0.638090700 
H4 H     0.976511440     0.853502560     0.641302470 
H5 H     0.800501850     0.605740620     0.656133880 
H6 H     0.752049320     1.158929830     0.679922040 
H7 H     0.575946340     0.911028930     0.694757520 
H8 H     0.962646220     0.856217990     0.682459300 
H9 H     0.786483380     0.608413460     0.697309050 
H10 H     0.738170660     1.161772000     0.721125410 
H11 H     0.562094540     0.913827110     0.735982230 
H12 H     0.949145120     0.858953300     0.723561270 
H13 H     0.772967160     0.611182780     0.738445540 
H14 H     0.724992300     1.164445120     0.762258170 
H15 H     0.548996800     0.916354610     0.777159310 
H16 H     0.936685970     0.861591180     0.764544650 
H17 H     0.760484690     0.613828510     0.779499280 
H18 H     0.713036290     1.167099230     0.803277670 
H19 H     0.537188310     0.918752490     0.818261380 
H20 H     0.925843460     0.864443650     0.805354380 
H21 H     0.749606250     0.616646510     0.820431050 
H22 H     0.702790220     1.170157160     0.844127880 
H23 H     0.527260200     0.921272880     0.859248960 
H24 H     0.917200680     0.868358440     0.845922120 
H25 H     0.740986040     0.620223540     0.861169340 
H26 H     0.694076910     1.173873820     0.884979730 
H27 H     0.519622230     0.921556570     0.900249240 
H28 H     0.910821450     0.869145200     0.886443520 
H29 H     0.730852480     0.623455100     0.902046990 
H30 H     0.734731550     1.114395730     0.926504910 
H31 H     0.520933800     1.145734120     0.969350710 
H32 H     0.338074130     1.273910850     1.012677440 
H33 H     0.062264740     1.195845370     1.060121940 
H34 H    -0.080632520     0.497770330     1.037341010 
H35 H     0.193390740     0.575319160     0.990222070 
H36 H    -0.406368240     0.615115110     1.108901020 
H37 H    -0.372711400     0.603272070     1.078361520 
H38 H    -0.225116450     0.407749060     1.082199450 

#END
data_-162.128_gel26a_14_33062 
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 68.1665
_cell_length_b 4.9655
_cell_length_c 8.6604
_cell_angle_alpha 90.0
_cell_angle_beta 105.7961
_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     0.476964200     1.935552600    -0.218444020 
C2 C     0.465384580     2.061247210    -0.107916720 
C3 C     0.444258820     1.937506660    -0.128562520 
C4 C     0.432547730     2.061855220    -0.018526600 
C5 C     0.411432920     1.938092000    -0.039063150 
C6 C     0.399758460     2.062572370     0.071209330 
C7 C     0.378647860     1.938946770     0.051068950 
C8 C     0.367034520     2.063474270     0.161758490 
C9 C     0.345934740     1.939906040     0.142237040 
C10 C     0.334410610     2.064309920     0.253589780 
C11 C     0.313334470     1.940569270     0.234856560 
C12 C     0.301925070     2.064522360     0.347153650 
C13 C     0.280873150     1.940605700     0.328700760 
C14 C     0.269775340     2.067316110     0.442422380 
C15 C     0.232815450     2.048217510     0.315578960 
C16 C     0.195286440     1.955236860     0.213275630 
C17 C     0.179837130     1.778770280     0.228300660 
C18 C     0.159888130     1.813387960     0.137637070 
C19 C     0.154763260     2.026434330     0.028578730 
C20 C     0.170037010     2.202334310     0.012798280 
C21 C     0.190161240     2.167778170     0.104262760 
C22 C     0.128804240     2.258746230    -0.166343060 
N1 N     0.249725070     1.952289360     0.427962970 
N2 N     0.215179540     1.906022400     0.310568140 
O1 O     0.233581980     2.242357750     0.230894030 
O2 O     0.134675980     2.044169760    -0.055376060 
H1 H     0.491989820     2.027247450    -0.201066360 
H2 H     0.468573690     1.961115110    -0.344656520 
H3 H     0.479192970     1.719332670    -0.195951220 
H4 H     0.474345260     2.038896410     0.017393510 
H5 H     0.463761140     2.278512850    -0.130368450 
H6 H     0.445864460     1.720017740    -0.106113920 
H7 H     0.435277760     1.959768470    -0.253964030 
H8 H     0.441544930     2.039640600     0.106817200 
H9 H     0.430947470     2.279291660    -0.041055500 
H10 H     0.413027180     1.720638220    -0.016583790 
H11 H     0.402423100     1.960437390    -0.164354030 
H12 H     0.408785230     2.040383250     0.196473560 
H13 H     0.398160320     2.280002720     0.048673140 
H14 H     0.380239830     1.721468510     0.073476510 
H15 H     0.369599380     1.961424680    -0.074104020 
H16 H     0.376110840     2.041281290     0.286888510 
H17 H     0.365429870     2.280898820     0.139241420 
H18 H     0.347532010     1.722387780     0.164494040 
H19 H     0.336823830     1.962621050     0.017264660 
H20 H     0.343561010     2.042052710     0.378515520 
H21 H     0.332782670     2.281715670     0.231137800 
H22 H     0.314944650     1.722996350     0.256834100 
H23 H     0.304123010     1.963807680     0.110259860 
H24 H     0.311186210     2.041874480     0.471796440 
H25 H     0.300270790     2.281897810     0.324861970 
H26 H     0.282342920     1.723043640     0.350752560 
H27 H     0.271388450     1.967404520     0.205559340 
H28 H     0.278824030     2.044997110     0.567184100 
H29 H     0.267660680     2.282341780     0.417389660 
H30 H     0.248675550     1.790193660     0.494976070 
H31 H     0.216371350     1.748854770     0.386137860 
H32 H     0.183524090     1.611996480     0.312354830 
H33 H     0.147964440     1.677308650     0.149333900 
H34 H     0.166606270     2.369176990    -0.070472670 
H35 H     0.201920970     2.304300930     0.091538280 
H36 H     0.112450510     2.236689370    -0.218781600 
H37 H     0.136565160     2.247613690    -0.261627710 
H38 H     0.131910840     2.455070900    -0.106807490 

#END
data_-162.111_gel26a_1_8999 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
_cell_length_a 6.9189
_cell_length_b 77.1376
_cell_length_c 5.307
_cell_angle_alpha 77.1043
_cell_angle_beta 132.8415
_cell_angle_gamma 146.9884
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -2.778503030     0.209104930    -4.045299520 
C2 C    -2.857981130     0.218714600    -3.949698890 
C3 C    -1.957260840     0.288485320    -3.357597930 
C4 C    -2.029426730     0.298614440    -3.257630490 
C5 C    -1.129333850     0.368350420    -2.666033980 
C6 C    -1.203505960     0.378351940    -2.567490990 
C7 C    -0.304802270     0.448033360    -1.976775200 
C8 C    -0.382167900     0.457837730    -1.880661820 
C9 C     0.514422880     0.527438620    -1.291442260 
C10 C     0.432487610     0.536970660    -1.198991250 
C11 C     1.326371180     0.606467790    -0.611949980 
C12 C     1.238672820     0.615672210    -0.524403380 
C13 C     2.131219540     0.685102290     0.061439610 
C14 C     2.026021130     0.693099910     0.138105080 
C15 C     3.603495180     0.802001270     1.361942760 
C16 C     5.224631390     0.918033960     2.548924700 
C17 C     5.908224430     0.975491880     2.918478620 
C18 C     6.764267050     1.031390730     3.624859920 
C19 C     6.963892610     1.031534270     3.984905070 
C20 C     6.288802180     0.974653110     3.621439900 
C21 C     5.424772680     0.918226000     2.908863680 
C22 C     8.054510140     1.091104040     5.064514140 
N1 N     2.863877540     0.758691730     0.690119730 
N2 N     4.370512150     0.863262040     1.830278280 
O1 O     3.567670550     0.786692600     1.517640740 
O2 O     7.827178050     1.089002200     4.680923310 
H1 H    -3.431069700     0.158907650    -4.471520780 
H2 H    -2.191966490     0.238076720    -3.574971800 
H3 H    -2.643480300     0.223381370    -4.159322710 
H4 H    -3.464688580     0.187981540    -4.433152740 
H5 H    -3.014199290     0.202732490    -3.851690380 
H6 H    -1.800174390     0.304537180    -3.455141530 
H7 H    -1.349527540     0.319287950    -2.873431310 
H8 H    -2.637588740     0.267768770    -3.742107780 
H9 H    -2.186404760     0.282559670    -3.160074320 
H10 H    -0.972003300     0.384426440    -2.763335660 
H11 H    -0.521066600     0.399212220    -2.181320480 
H12 H    -1.812449060     0.347431620    -3.052591980 
H13 H    -1.360525890     0.362292730    -2.469976890 
H14 H    -0.147170720     0.464123250    -2.073876970 
H15 H     0.304241610     0.478974960    -1.491265170 
H16 H    -0.992359450     0.426797100    -2.366808600 
H17 H    -0.539019620     0.441794890    -1.783013240 
H18 H     0.672341830     0.543529820    -1.388390730 
H19 H     1.124664940     0.558506040    -0.804664250 
H20 H    -0.179487660     0.505756320    -1.686697350 
H21 H     0.276242650     0.520986280    -1.100856310 
H22 H     1.484698290     0.622551290    -0.708694450 
H23 H     1.938223010     0.637719590    -0.123225990 
H24 H     0.624336530     0.584226260    -1.014499700 
H25 H     1.082889190     0.599748420    -0.425888580 
H26 H     2.293919010     0.701549580    -0.031741480 
H27 H     2.743599450     0.716606830     0.554709710 
H28 H     1.417893850     0.662172390    -0.346596310 
H29 H     1.895682510     0.678832540     0.254032430 
H30 H     2.917243900     0.772829540     0.578177700 
H31 H     4.321166000     0.870350630     1.642618200 
H32 H     5.766163270     0.976334750     2.647794580 
H33 H     7.291441000     1.075717170     3.909888470 
H34 H     6.420268860     0.973068880     3.883824980 
H35 H     4.905206860     0.874364010     2.630202660 
H36 H     8.759386760     1.140388870     5.598106260 
H37 H     8.074584920     1.078862750     5.045753880 
H38 H     7.546219470     1.058640370     4.875804270 

#END
data_-162.033_gel26a_14_24224 
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 8.8616
_cell_length_b 5.4884
_cell_length_c 46.2892
_cell_angle_alpha 90.0
_cell_angle_beta 95.8675
_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     0.679431820     1.964635210     0.411296490 
C2 C     0.612843820     1.803783000     0.433818670 
C3 C     0.733415930     1.658921400     0.452649700 
C4 C     0.667973310     1.497410400     0.475252760 
C5 C     0.788465150     1.352454620     0.494070150 
C6 C     0.722742600     1.190890000     0.516637960 
C7 C     0.842971020     1.045484500     0.535462030 
C8 C     0.776833670     0.883727030     0.557961470 
C9 C     0.896695560     0.737576080     0.576781850 
C10 C     0.829996120     0.575382180     0.599171200 
C11 C     0.949451380     0.428233600     0.617960840 
C12 C     0.882090270     0.265231670     0.640193050 
C13 C     1.001394710     0.117769410     0.658945780 
C14 C     0.931347090    -0.044204210     0.680964520 
C15 C     1.115453290    -0.091943470     0.724131300 
C16 C     1.316097800    -0.207260140     0.764076320 
C17 C     1.420701070    -0.390177360     0.773298260 
C18 C     1.514746520    -0.367043220     0.798907830 
C19 C     1.507079880    -0.159184390     0.816142170 
C20 C     1.403603370     0.023509270     0.807096790 
C21 C     1.308595050     0.000321160     0.781282980 
C22 C     1.599392360     0.053811000     0.859258810 
N1 N     1.042301520    -0.187562980     0.699026470 
N2 N     1.224248370    -0.245815800     0.737778940 
O1 O     1.084419010     0.108620800     0.733286820 
O2 O     1.604373840    -0.153017880     0.841037100 
H1 H     0.590960590     2.065615180     0.398139140 
H2 H     0.759385060     2.097341410     0.421779300 
H3 H     0.740807770     1.855242570     0.396557650 
H4 H     0.530419930     1.676892490     0.422805290 
H5 H     0.549210500     1.917003960     0.447870900 
H6 H     0.797187440     1.545508630     0.438606760 
H7 H     0.815980980     1.785780880     0.463682230 
H8 H     0.585370650     1.370740150     0.464202410 
H9 H     0.604245160     1.610939300     0.489285270 
H10 H     0.852243010     1.238950850     0.480043530 
H11 H     0.871031590     1.479037640     0.505143990 
H12 H     0.640080250     1.064505470     0.505551780 
H13 H     0.659013880     1.304438170     0.530667430 
H14 H     0.906801110     0.932053780     0.521436110 
H15 H     0.925547470     1.171745830     0.546592230 
H16 H     0.694088870     0.757802640     0.546812610 
H17 H     0.713117390     0.997209990     0.571998860 
H18 H     0.960600140     0.624360670     0.562745580 
H19 H     0.979274580     0.863313970     0.588004490 
H20 H     0.747151410     0.450125770     0.587925280 
H21 H     0.766325140     0.688637450     0.613236890 
H22 H     1.013477590     0.315443670     0.603902680 
H23 H     1.031955900     0.553117930     0.629340890 
H24 H     0.799193250     0.140818560     0.628785610 
H25 H     0.818430130     0.378109110     0.654291150 
H26 H     1.065809020     0.004086620     0.645062070 
H27 H     1.082691000     0.240659040     0.670878970 
H28 H     0.848919050    -0.169844460     0.669838780 
H29 H     0.871343060     0.068740890     0.695468930 
H30 H     1.071330080    -0.352387720     0.691848730 
H31 H     1.240289180    -0.407305380     0.728205540 
H32 H     1.428360990    -0.552966580     0.760193900 
H33 H     1.595385080    -0.508303310     0.806032920 
H34 H     1.394739020     0.186731530     0.819897320 
H35 H     1.228813510     0.142218350     0.774374440 
H36 H     1.683999780     0.021957070     0.877627790 
H37 H     1.627825690     0.221156910     0.848078080 
H38 H     1.487620670     0.074891580     0.867144320 

#END
data_-161.817_gel26a_14_12263 
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 22.5792
_cell_length_b 11.871
_cell_length_c 8.5082
_cell_angle_alpha 90.0
_cell_angle_beta 98.9694
_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     0.727767440    -0.206963700     0.290171830 
C2 C     0.712781000    -0.082174730     0.262282860 
C3 C     0.647233300    -0.061731830     0.190096090 
C4 C     0.631776590     0.062846170     0.161723270 
C5 C     0.566262300     0.083310630     0.089470640 
C6 C     0.550924870     0.207941780     0.061056220 
C7 C     0.485454390     0.228642560    -0.011380530 
C8 C     0.470304890     0.353332090    -0.039958680 
C9 C     0.404902650     0.374350910    -0.112750450 
C10 C     0.390016720     0.499108010    -0.141691580 
C11 C     0.324709620     0.520442700    -0.215036070 
C12 C     0.310146950     0.645264670    -0.244637640 
C13 C     0.244906970     0.666637140    -0.318210810 
C14 C     0.231442750     0.791993890    -0.347032460 
C15 C     0.125721220     0.826987530    -0.323859330 
C16 C     0.014610240     0.858832040    -0.351362340 
C17 C    -0.037767470     0.869023270    -0.463245220 
C18 C    -0.092881620     0.886893900    -0.415726350 
C19 C    -0.097312680     0.895061970    -0.254090990 
C20 C    -0.045480190     0.884837250    -0.142220620 
C21 C     0.010144620     0.866901800    -0.189990450 
C22 C    -0.160008320     0.922535040    -0.056294990 
N1 N     0.169701860     0.814774150    -0.417711540 
N2 N     0.068910760     0.841139140    -0.409957250 
O1 O     0.136803880     0.826444450    -0.178742410 
O2 O    -0.153616410     0.912834590    -0.218867290 
H1 H     0.774808340    -0.219138380     0.341497930 
H2 H     0.700295470    -0.244524970     0.371605300 
H3 H     0.719372630    -0.254366300     0.178599260 
H4 H     0.741928680    -0.045988310     0.183672160 
H5 H     0.722842530    -0.036270000     0.375118190 
H6 H     0.637108810    -0.107640800     0.077135670 
H7 H     0.618020450    -0.097929780     0.268696870 
H8 H     0.661031870     0.098977020     0.083202710 
H9 H     0.641906810     0.108682890     0.274717900 
H10 H     0.556112240     0.037460360    -0.023508290 
H11 H     0.536986340     0.047277610     0.168001130 
H12 H     0.580255030     0.243948940    -0.017362310 
H13 H     0.561059810     0.253766830     0.174055510 
H14 H     0.475292430     0.182754050    -0.124327900 
H15 H     0.456093290     0.192819480     0.067084520 
H16 H     0.499757100     0.389120060    -0.118227270 
H17 H     0.480423380     0.399185230     0.073017020 
H18 H     0.394743020     0.328355370    -0.225612990 
H19 H     0.375406250     0.338878090    -0.034386920 
H20 H     0.419647000     0.534551970    -0.219760750 
H21 H     0.400076490     0.545060180    -0.028797180 
H22 H     0.314563830     0.474244270    -0.327727970 
H23 H     0.295008550     0.485597240    -0.136804140 
H24 H     0.340023560     0.680134220    -0.322559510 
H25 H     0.320144660     0.691373670    -0.131894840 
H26 H     0.234397640     0.620893770    -0.431131840 
H27 H     0.214828490     0.634256830    -0.239624110 
H28 H     0.260792110     0.827632260    -0.425160510 
H29 H     0.239904720     0.837390740    -0.234236360 
H30 H     0.159160290     0.814425900    -0.537056790 
H31 H     0.065101270     0.840062910    -0.529514820 
H32 H    -0.035227560     0.862868140    -0.589363260 
H33 H    -0.133292270     0.894842630    -0.502087290 
H34 H    -0.047297310     0.890682060    -0.016231160 
H35 H     0.050097430     0.858985710    -0.102984600 
H36 H    -0.207552630     0.936679230    -0.054701760 
H37 H    -0.145931850     0.845337170     0.009826610 
H38 H    -0.134304040     0.993890040     0.000675610 

#END
data_-161.630_gel26a_60_37673 
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 59.6994
_cell_length_b 9.1669
_cell_length_c 9.2046
_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     0.902560410     0.374515320     0.636853150 
C2 C     0.885319750     0.476456860     0.567494820 
C3 C     0.865795090     0.394988570     0.496525000 
C4 C     0.848452390     0.495986650     0.426815830 
C5 C     0.828938370     0.414579670     0.355780720 
C6 C     0.811628330     0.515796370     0.286016620 
C7 C     0.792109330     0.434668930     0.214735450 
C8 C     0.774857590     0.536192140     0.144807850 
C9 C     0.755339150     0.455440890     0.073101570 
C10 C     0.738176210     0.557362960     0.002832920 
C11 C     0.718674990     0.476999510    -0.069470840 
C12 C     0.701631780     0.579365880    -0.140340010 
C13 C     0.682156500     0.499108030    -0.212857440 
C14 C     0.665361370     0.603677430    -0.283229240 
C15 C     0.627918820     0.491601130    -0.276049110 
C16 C     0.591239370     0.362386480    -0.312187960 
C17 C     0.578539150     0.284342250    -0.414201720 
C18 C     0.557606650     0.229921650    -0.379260310 
C19 C     0.548705760     0.251905810    -0.240531770 
C20 C     0.561241890     0.329138440    -0.138519850 
C21 C     0.582349450     0.384189030    -0.173655240 
C22 C     0.518207840     0.215036620    -0.077350280 
N1 N     0.646692190     0.530187670    -0.353696970 
N2 N     0.612355610     0.414459220    -0.356906580 
O1 O     0.625444890     0.524777100    -0.148588400 
O2 O     0.527921400     0.194171410    -0.216339190 
H1 H     0.916316880     0.435457500     0.686468210 
H2 H     0.894880520     0.307344070     0.721584700 
H3 H     0.909774020     0.300626310     0.556036090 
H4 H     0.893552640     0.544966290     0.485740480 
H5 H     0.878733950     0.551353320     0.649965770 
H6 H     0.872367060     0.319982710     0.413945600 
H7 H     0.857543760     0.326373440     0.578274440 
H8 H     0.856720920     0.564603960     0.345161050 
H9 H     0.841888750     0.570931540     0.509451210 
H10 H     0.835496730     0.339594740     0.273163860 
H11 H     0.820652260     0.346033510     0.437408960 
H12 H     0.819929430     0.584407260     0.204496110 
H13 H     0.805067250     0.590736680     0.368660320 
H14 H     0.798666940     0.359632120     0.132159930 
H15 H     0.783776480     0.366206670     0.296230450 
H16 H     0.783214380     0.604772720     0.063498160 
H17 H     0.768289300     0.611134660     0.227420680 
H18 H     0.761905800     0.380309220    -0.009361120 
H19 H     0.746930080     0.387129190     0.154381030 
H20 H     0.746617710     0.625872330    -0.078177420 
H21 H     0.731582210     0.632312410     0.085338600 
H22 H     0.725261280     0.401702610    -0.151710990 
H23 H     0.710138980     0.409017300     0.011466790 
H24 H     0.710206600     0.647660780    -0.221013570 
H25 H     0.695007550     0.654367490    -0.058023900 
H26 H     0.688589800     0.423727450    -0.295463860 
H27 H     0.673217620     0.433135880    -0.132496470 
H28 H     0.673697140     0.671977090    -0.364362550 
H29 H     0.658339450     0.675776560    -0.200618710 
H30 H     0.648373910     0.500065040    -0.458243620 
H31 H     0.616204320     0.393153190    -0.461342070 
H32 H     0.585176940     0.266104420    -0.522529650 
H33 H     0.547800330     0.169790920    -0.458032850 
H34 H     0.554866700     0.348074020    -0.030189310 
H35 H     0.591984400     0.443781010    -0.094331550 
H36 H     0.501907330     0.161924760    -0.081287490 
H37 H     0.528351410     0.164858350     0.008419590 
H38 H     0.515936750     0.331131690    -0.052909580 

#END
data_-161.577_gel26a_2_17890 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 7.9054
_cell_length_b 9.4716
_cell_length_c 22.5194
_cell_angle_alpha 80.1219
_cell_angle_beta 75.4768
_cell_angle_gamma 44.3612
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -0.158973650     0.906946780     0.719537980 
C2 C     0.046739740     0.678247440     0.708859610 
C3 C     0.135529890     0.618169950     0.640967740 
C4 C     0.341328400     0.389679640     0.629787870 
C5 C     0.430034420     0.329561630     0.561925150 
C6 C     0.635665140     0.100996030     0.550861360 
C7 C     0.724512820     0.040441700     0.483039990 
C8 C     0.929750940    -0.188211170     0.472151250 
C9 C     1.018677300    -0.249365720     0.404387330 
C10 C     1.223223410    -0.478134170     0.393734420 
C11 C     1.312000760    -0.539907050     0.326040740 
C12 C     1.515478060    -0.768815300     0.315661660 
C13 C     1.603991950    -0.830673130     0.248019780 
C14 C     1.807028520    -1.060193120     0.238790380 
C15 C     2.077217190    -1.141215150     0.138822030 
C16 C     2.307204240    -1.224835790     0.030020470 
C17 C     2.320132320    -1.269485730    -0.028182470 
C18 C     2.491778760    -1.306120890    -0.077918530 
C19 C     2.656360280    -1.299016780    -0.070931520 
C20 C     2.644360380    -1.254423020    -0.013263060 
C21 C     2.471455320    -1.217601030     0.036951350 
C22 C     2.990601700    -1.333338060    -0.117455980 
N1 N     1.894020050    -1.123417120     0.174824650 
N2 N     2.127516630    -1.190230910     0.078221900 
O1 O     2.184707660    -1.117698300     0.159424390 
O2 O     2.819121820    -1.337440940    -0.122664410 
H1 H    -0.219056380     0.945560490     0.768345450 
H2 H    -0.097883850     0.979287550     0.696479650 
H3 H    -0.319679330     0.973841460     0.701585960 
H4 H    -0.017141110     0.609092750     0.733679820 
H5 H     0.203088330     0.614537970     0.728453500 
H6 H    -0.020821640     0.681856350     0.621303740 
H7 H     0.199502010     0.687330100     0.616082710 
H8 H     0.277240840     0.320658720     0.654716580 
H9 H     0.497582250     0.326127530     0.649456390 
H10 H     0.273808590     0.393135840     0.542237700 
H11 H     0.494327690     0.398405820     0.536981510 
H12 H     0.571330180     0.032224720     0.575864260 
H13 H     0.791895530     0.037466300     0.570534250 
H14 H     0.568274410     0.104085760     0.463341270 
H15 H     0.789245000     0.108886040     0.458018640 
H16 H     0.864969590    -0.256546690     0.497273160 
H17 H     1.086036100    -0.251797530     0.491807820 
H18 H     0.862335620    -0.185519220     0.384691630 
H19 H     1.084136240    -0.181586020     0.379243460 
H20 H     1.157734270    -0.545793580     0.419027500 
H21 H     1.379704750    -0.541920060     0.413332810 
H22 H     1.155454790    -0.475673430     0.306360590 
H23 H     1.378737240    -0.473302920     0.300717550 
H24 H     1.448735530    -0.835382290     0.341178250 
H25 H     1.672193480    -0.832913890     0.335196560 
H26 H     1.448646280    -0.767355830     0.227990630 
H27 H     1.675742980    -0.768477580     0.222467490 
H28 H     1.742315680    -1.128264790     0.263814420 
H29 H     1.965431280    -1.123340060     0.256796920 
H30 H     1.806926530    -1.141643670     0.156451300 
H31 H     2.026779400    -1.205787250     0.066369820 
H32 H     2.193742810    -1.275607950    -0.034519320 
H33 H     2.501856990    -1.340727730    -0.122822210 
H34 H     2.768813450    -1.247616450    -0.006244050 
H35 H     2.462836130    -1.183057890     0.081453360 
H36 H     3.101694660    -1.368176090    -0.163084390 
H37 H     2.897880930    -1.184039610    -0.102856160 
H38 H     3.110364130    -1.446780030    -0.085184710 

#END
data_-161.572_gel26a_19_5817 
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 8.5449
_cell_length_b 48.2243
_cell_length_c 5.3856
_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    -0.642041480     0.660985490    -0.415196550 
C2 C    -0.739441510     0.680545420    -0.253560950 
C3 C    -0.640157680     0.701859560    -0.113759630 
C4 C    -0.736487840     0.721528690     0.048492670 
C5 C    -0.637266590     0.742828220     0.188395290 
C6 C    -0.733834770     0.762456970     0.350718530 
C7 C    -0.634887910     0.783756760     0.491086730 
C8 C    -0.731785490     0.803311060     0.653633760 
C9 C    -0.633201380     0.824599540     0.794774250 
C10 C    -0.730519610     0.844037290     0.957806310 
C11 C    -0.632299650     0.865289050     1.099982620 
C12 C    -0.730072270     0.884564980     1.263890810 
C13 C    -0.631953020     0.905779250     1.406398920 
C14 C    -0.732197070     0.924778620     1.569391790 
C15 C    -0.602154100     0.970154130     1.603350120 
C16 C    -0.450042730     1.013215560     1.706219130 
C17 C    -0.353563640     1.025282890     1.887208390 
C18 C    -0.292507190     1.051614990     1.855452690 
C19 C    -0.326145650     1.066740920     1.640603190 
C20 C    -0.421709570     1.054869720     1.459769120 
C21 C    -0.483472430     1.028321260     1.491652260 
C22 C    -0.292832090     1.108675240     1.412076860 
N1 N    -0.641731510     0.945105090     1.708136140 
N2 N    -0.507745210     0.986355290     1.753744190 
O1 O    -0.648597460     0.977149430     1.398303700 
O2 O    -0.260603720     1.092554250     1.626161630 
H1 H    -0.715740700     0.645975770    -0.512494830 
H2 H    -0.575855560     0.672531340    -0.555107550 
H3 H    -0.557812640     0.649364940    -0.302931260 
H4 H    -0.807493490     0.668419430    -0.119386300 
H5 H    -0.825083320     0.691453240    -0.369514790 
H6 H    -0.554384970     0.690964840     0.002383120 
H7 H    -0.571986940     0.714007370    -0.247911180 
H8 H    -0.804674680     0.709362680     0.182456240 
H9 H    -0.822203040     0.732414570    -0.067767770 
H10 H    -0.551508780     0.731949120     0.304627310 
H11 H    -0.569148110     0.755015310     0.054517150 
H12 H    -0.802036710     0.750255110     0.484400150 
H13 H    -0.819546600     0.773339950     0.234439090 
H14 H    -0.549078290     0.772879540     0.607242460 
H15 H    -0.566833000     0.795997480     0.357524830 
H16 H    -0.799990890     0.791047240     0.786861790 
H17 H    -0.817494730     0.814201930     0.537418760 
H18 H    -0.547303500     0.813714110     0.910710210 
H19 H    -0.565264960     0.836927810     0.661727220 
H20 H    -0.798701470     0.831678460     1.090376430 
H21 H    -0.816218810     0.854956440     0.841816130 
H22 H    -0.546251620     0.854385340     1.215485440 
H23 H    -0.564646250     0.877764100     0.967776500 
H24 H    -0.798095340     0.872052040     1.395635510 
H25 H    -0.815800790     0.895515730     1.148278720 
H26 H    -0.545736860     0.895051190     1.522763830 
H27 H    -0.566274480     0.918740410     1.276156150 
H28 H    -0.800112520     0.912544230     1.702315250 
H29 H    -0.814736140     0.936208580     1.453508280 
H30 H    -0.600426720     0.939776370     1.876458040 
H31 H    -0.476503580     0.978428710     1.919575870 
H32 H    -0.326060690     1.013847920     2.055339650 
H33 H    -0.218150710     1.060933240     1.995228010 
H34 H    -0.450035160     1.065987560     1.291296950 
H35 H    -0.557253930     1.019225990     1.351156670 
H36 H    -0.230954470     1.128195880     1.438070620 
H37 H    -0.250133540     1.098557770     1.242873960 
H38 H    -0.418393330     1.112804830     1.392799840 

#END
data_-161.572_gel26a_19_10389 
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 5.3856
_cell_length_b 48.2243
_cell_length_c 8.5449
_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     0.834803380     1.089014510     0.107958490 
C2 C     0.996438940     1.069454570     0.010558480 
C3 C     1.136240260     1.048140440     0.109842300 
C4 C     1.298492520     1.028471290     0.013512160 
C5 C     1.438395150     1.007171780     0.112733380 
C6 C     1.600718340     0.987543020     0.016165230 
C7 C     1.741086550     0.966243230     0.115112070 
C8 C     1.903633520     0.946688930     0.018214500 
C9 C     2.044774030     0.925400450     0.116798600 
C10 C     2.207806040     0.905962690     0.019480390 
C11 C     2.349982360     0.884710940     0.117700320 
C12 C     2.513890490     0.865435000     0.019927730 
C13 C     2.656398620     0.844220740     0.118046960 
C14 C     2.819391430     0.825221350     0.017802930 
C15 C     2.853349820     0.779845840     0.147845930 
C16 C     2.956218890     0.736784420     0.299957300 
C17 C     3.137208150     0.724717090     0.396436350 
C18 C     3.105452480     0.698385000     0.457492820 
C19 C     2.890603030     0.683259060     0.423854420 
C20 C     2.709768960     0.695130250     0.328290540 
C21 C     2.741652060     0.721678710     0.266527650 
C22 C     2.662076790     0.641324740     0.457168070 
N1 N     2.958135790     0.804894890     0.108268470 
N2 N     3.003743900     0.763644690     0.242254780 
O1 O     2.648303430     0.772850540     0.101402620 
O2 O     2.876161510     0.657445730     0.489396380 
H1 H     0.737505100     1.104024220     0.034259290 
H2 H     0.694892450     1.077468660     0.174144440 
H3 H     0.947068670     1.100635060     0.192187290 
H4 H     1.130613520     1.081580560    -0.057493520 
H5 H     0.880485090     1.058546750    -0.075083280 
H6 H     1.252383010     1.059035160     0.195614950 
H7 H     1.002088770     1.035992620     0.178013050 
H8 H     1.432456030     1.040637310    -0.054674710 
H9 H     1.182232080     1.017585410    -0.072202990 
H10 H     1.554627160     1.018050880     0.198491140 
H11 H     1.304517070     0.994984690     0.180851880 
H12 H     1.734399890     0.999744870    -0.052036730 
H13 H     1.484438900     0.976660030    -0.069546550 
H14 H     1.857242270     0.977120460     0.200921640 
H15 H     1.607524700     0.954002510     0.183167000 
H16 H     2.036861500     0.958952740    -0.049990910 
H17 H     1.787418530     0.935798040    -0.067494680 
H18 H     2.160709980     0.936285880     0.202696420 
H19 H     1.911727060     0.913072180     0.184735040 
H20 H     2.340376090     0.918321520    -0.048701490 
H21 H     2.091815860     0.895043530    -0.066218760 
H22 H     2.465485170     0.895614650     0.203748310 
H23 H     2.217776300     0.872235890     0.185353750 
H24 H     2.645635140     0.877947930    -0.048095360 
H25 H     2.398278410     0.854484240    -0.065800740 
H26 H     2.772763520     0.854948800     0.204263070 
H27 H     2.526155910     0.831259580     0.183725530 
H28 H     2.952314830     0.837455740    -0.050112550 
H29 H     2.703507930     0.813791390    -0.064736090 
H30 H     3.126457660     0.810223620     0.149573220 
H31 H     3.169575550     0.771571280     0.273496370 
H32 H     3.305339370     0.736152070     0.423939250 
H33 H     3.245227810     0.689066750     0.531849280 
H34 H     2.541296820     0.684012410     0.299964990 
H35 H     2.601156470     0.730773980     0.192746180 
H36 H     2.688070570     0.621804090     0.519045690 
H37 H     2.492873940     0.651442200     0.499866620 
H38 H     2.642799730     0.637195140     0.331606860 

#END
data_-161.572_gel26a_19_23081 
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 8.5449
_cell_length_b 5.3856
_cell_length_c 48.2243
_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     0.892041440     0.665196500     0.589014510 
C2 C     0.989441460     0.503560860     0.569454580 
C3 C     0.890157630     0.363759570     0.548140440 
C4 C     0.986487790     0.201507240     0.528471310 
C5 C     0.887266540     0.061604640     0.507171780 
C6 C     0.983834710    -0.100718630     0.487543030 
C7 C     0.884887850    -0.241086800     0.466243230 
C8 C     0.981785430    -0.403633860     0.446688940 
C9 C     0.883201320    -0.544774330     0.425400460 
C10 C     0.980519550    -0.707806420     0.405962700 
C11 C     0.882299590    -0.849982700     0.384710950 
C12 C     0.980072200    -1.013890920     0.365435020 
C13 C     0.881952950    -1.156399010     0.344220750 
C14 C     0.982197000    -1.319391920     0.325221370 
C15 C     0.852154060    -1.353350180     0.279845860 
C16 C     0.700042710    -1.456219150     0.236784440 
C17 C     0.603563610    -1.637208390     0.224717100 
C18 C     0.542507190    -1.605452650     0.198385010 
C19 C     0.576145680    -1.390603140     0.183259070 
C20 C     0.671709610    -1.209769090     0.195130280 
C21 C     0.733472450    -1.241652260     0.221678740 
C22 C     0.542832170    -1.162076770     0.141324760 
N1 N     0.891731450    -1.458136240     0.304894910 
N2 N     0.757745170    -1.503744230     0.263644700 
O1 O     0.898597440    -1.148303760     0.272850570 
O2 O     0.510603770    -1.376161550     0.157445740 
H1 H     0.965740650     0.762494750     0.604024230 
H2 H     0.825855540     0.805107530     0.577468660 
H3 H     0.807812580     0.552931210     0.600635050 
H4 H     1.057493420     0.369386170     0.581580570 
H5 H     1.075083290     0.619514700     0.558546770 
H6 H     0.804384900     0.247616840     0.559035160 
H7 H     0.821986920     0.497911160     0.535992630 
H8 H     1.054674610     0.067543630     0.540637320 
H9 H     1.072203000     0.317767660     0.517585430 
H10 H     0.801508710    -0.054627360     0.518050870 
H11 H     0.819148080     0.195482820     0.494984690 
H12 H     1.052036620    -0.234400280     0.499744880 
H13 H     1.069546560     0.015560800     0.476660060 
H14 H     0.799078220    -0.357242520     0.477120450 
H15 H     0.816832970    -0.107524860     0.454002520 
H16 H     1.049990810    -0.536861930     0.458952760 
H17 H     1.067494690    -0.287418870     0.435798070 
H18 H     0.797303430    -0.660710270     0.436285880 
H19 H     0.815264930    -0.411727260     0.413072190 
H20 H     1.048701380    -0.840376570     0.418321540 
H21 H     1.066218770    -0.591816260     0.395043560 
H22 H     0.796251540    -0.965485510     0.395614650 
H23 H     0.814646210    -0.717776550     0.372235900 
H24 H     1.048095250    -1.145635670     0.377947950 
H25 H     1.065800750    -0.898278850     0.354484270 
H26 H     0.795736770    -1.272763910     0.354948800 
H27 H     0.816274440    -1.026156210     0.331259590 
H28 H     1.050112430    -1.452315400     0.337455760 
H29 H     1.064736090    -1.203508410     0.313791420 
H30 H     0.850426630    -1.626458140     0.310223630 
H31 H     0.726503520    -1.669575920     0.271571280 
H32 H     0.576060640    -1.805339660     0.236152070 
H33 H     0.468150700    -1.745227960     0.189066760 
H34 H     0.700035230    -1.041296910     0.184012440 
H35 H     0.807253950    -1.101156690     0.230774010 
H36 H     0.480954560    -1.188070500     0.121804120 
H37 H     0.500133640    -0.992873850     0.151442230 
H38 H     0.668393410    -1.142799780     0.137195170 

#END
data_-161.572_gel26a_19_8933 
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 48.2243
_cell_length_b 5.3856
_cell_length_c 8.5449
_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     0.660985490     1.415196700     0.642041590 
C2 C     0.680545430     1.253561070     0.739441580 
C3 C     0.701859560     1.113759710     0.640157770 
C4 C     0.721528690     0.951507380     0.736487900 
C5 C     0.742828210     0.811604720     0.637266670 
C6 C     0.762456970     0.649281450     0.733834810 
C7 C     0.783756760     0.508913210     0.634887980 
C8 C     0.803311050     0.346366150     0.731785520 
C9 C     0.824599530     0.205225620     0.633201430 
C10 C     0.844037290     0.042193530     0.730519620 
C11 C     0.865289040    -0.099982820     0.632299690 
C12 C     0.884564970    -0.263891030     0.730072270 
C13 C     0.905779230    -0.406399190     0.631953040 
C14 C     0.924778610    -0.569392090     0.732197050 
C15 C     0.970154120    -0.603350450     0.602154110 
C16 C     1.013215540    -0.706219510     0.450042780 
C17 C     1.025282870    -0.887208820     0.353563720 
C18 C     1.051614970    -0.855453120     0.292507290 
C19 C     1.066740900    -0.640603600     0.326145730 
C20 C     1.054869710    -0.459769480     0.421709620 
C21 C     1.028321250    -0.491652610     0.483472470 
C22 C     1.108675220    -0.412077250     0.292832170 
N1 N     0.945105070    -0.708136480     0.641731520 
N2 N     0.986355270    -0.753744560     0.507745250 
O1 O     0.977149420    -0.398303990     0.648597450 
O2 O     1.092554240    -0.626162050     0.260603810 
H1 H     0.645975780     1.512495000     0.715740790 
H2 H     0.672531340     1.555107710     0.575855690 
H3 H     0.649364940     1.302931390     0.557812780 
H4 H     0.668419440     1.119386400     0.807493540 
H5 H     0.691453240     1.369514930     0.825083360 
H6 H     0.690964840     0.997616950     0.554385100 
H7 H     0.714007370     1.247911280     0.571987060 
H8 H     0.709362680     0.817543790     0.804674720 
H9 H     0.732414570     1.067767840     0.822203060 
H10 H     0.731949120     0.695372680     0.551508900 
H11 H     0.755015300     0.945482870     0.569148220 
H12 H     0.750255110     0.515599820     0.802036720 
H13 H     0.773339950     0.765560910     0.819546610 
H14 H     0.772879530     0.392757460     0.549078390 
H15 H     0.795997470     0.642475130     0.566833090 
H16 H     0.791047230     0.213138110     0.799990890 
H17 H     0.814201930     0.462581170     0.817494720 
H18 H     0.813714100     0.089289640     0.547303590 
H19 H     0.836927800     0.338272660     0.565265030 
H20 H     0.831678450    -0.090376600     0.798701460 
H21 H     0.854956440     0.158183720     0.816218790 
H22 H     0.854385330    -0.215485660     0.546251690 
H23 H     0.877764090     0.032223310     0.564646300 
H24 H     0.872052030    -0.395635750     0.798095310 
H25 H     0.895515720    -0.148278930     0.815800760 
H26 H     0.895051180    -0.522764120     0.545736910 
H27 H     0.918740390    -0.276156410     0.566274520 
H28 H     0.912544220    -0.702315560     0.800112480 
H29 H     0.936208570    -0.453508560     0.814736090 
H30 H     0.939776350    -0.876458410     0.600426740 
H31 H     0.978428690    -0.919576270     0.476503630 
H32 H     1.013847900    -1.055340100     0.326060780 
H33 H     1.060933210    -0.995228480     0.218150820 
H34 H     1.065987550    -0.291297280     0.450035200 
H35 H     1.019225980    -0.351156990     0.557253940 
H36 H     1.128195870    -0.438071020     0.230954560 
H37 H     1.098557760    -0.242874320     0.250133640 
H38 H     1.112804820    -0.392800210     0.418393360 

#END
data_-161.512_gel26a_15_53996 
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 9.2538
_cell_length_b 7.9705
_cell_length_c 107.7159
_cell_angle_alpha 90.0
_cell_angle_beta 35.2621
_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     1.331541150     0.674875250     0.880264770 
C2 C     1.157061820     0.698288490     0.903630830 
C3 C     0.879734430     0.697523110     0.919513480 
C4 C     0.703596170     0.720860470     0.942934740 
C5 C     0.426345710     0.720203980     0.958815680 
C6 C     0.250571130     0.743729180     0.982224750 
C7 C    -0.026798120     0.743336410     0.998138530 
C8 C    -0.202011520     0.767255800     1.021525370 
C9 C    -0.479544940     0.767338900     1.037482890 
C10 C    -0.654005160     0.791946510     1.060837750 
C11 C    -0.931674030     0.792739660     1.076836090 
C12 C    -1.105269640     0.818410520     1.100151230 
C13 C    -1.382812700     0.819520780     1.116146340 
C14 C    -1.552693380     0.845732440     1.139343410 
C15 C    -1.952984620     0.701444930     1.163701970 
C16 C    -2.387415090     0.602526510     1.189087140 
C17 C    -2.622493750     0.656923260     1.201392440 
C18 C    -2.818448870     0.545302130     1.213626960 
C19 C    -2.785026140     0.375053450     1.213913640 
C20 C    -2.551867250     0.320026860     1.201700530 
C21 C    -2.354120140     0.432497920     1.189366950 
C22 C    -2.964048860     0.101286630     1.227361700 
N1 N    -1.817995620     0.848115770     1.154909480 
N2 N    -2.198393960     0.724576810     1.177153190 
O1 O    -1.862220750     0.565475740     1.159979800 
O2 O    -2.989436970     0.274644310     1.226484830 
H1 H     1.528174350     0.676163900     0.869279350 
H2 H     1.295487900     0.555373480     0.878121390 
H3 H     1.304842980     0.774822440     0.875298770 
H4 H     1.201306400     0.816722450     0.905217950 
H5 H     1.191483470     0.598851550     0.908039850 
H6 H     0.845048150     0.797014140     0.915116470 
H7 H     0.835264110     0.579021760     0.917936250 
H8 H     0.748305720     0.839322610     0.944492520 
H9 H     0.738379230     0.621333880     0.947318550 
H10 H     0.391509450     0.819689860     0.954433030 
H11 H     0.381478660     0.601717110     0.957277460 
H12 H     0.295693760     0.862162160     0.983747790 
H13 H     0.285383030     0.644202170     0.986605770 
H14 H    -0.061631730     0.842772160     0.993751400 
H15 H    -0.072179020     0.624837650     0.996650540 
H16 H    -0.156205550     0.885656330     1.022989090 
H17 H    -0.167291540     0.667736510     1.025914180 
H18 H    -0.514245150     0.866679710     1.033076910 
H19 H    -0.525756340     0.648820370     1.036077430 
H20 H    -0.607187430     0.910317130     1.062211200 
H21 H    -0.619611390     0.692451610     1.065254150 
H22 H    -0.966084300     0.891901510     1.072392580 
H23 H    -0.979221000     0.674178350     1.075571140 
H24 H    -1.057009450     0.936861910     1.101385190 
H25 H    -1.071290190     0.719013930     1.104606060 
H26 H    -1.419005860     0.918536520     1.111844740 
H27 H    -1.433780020     0.700397190     1.115347220 
H28 H    -1.507071860     0.963853320     1.140799510 
H29 H    -1.523539520     0.744409650     1.143956090 
H30 H    -1.897023400     0.958185540     1.158096150 
H31 H    -2.252828170     0.842686830     1.179019280 
H32 H    -2.652040100     0.788707660     1.201368470 
H33 H    -2.999908480     0.587320720     1.223135280 
H34 H    -2.519510420     0.189191240     1.201546030 
H35 H    -2.174097650     0.389283890     1.179938510 
H36 H    -3.145731340     0.045299680     1.238156510 
H37 H    -2.821879750     0.042291140     1.211491220 
H38 H    -2.916040460     0.080041800     1.233762310 

#END
data_-161.467_gel26a_9_3095 
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 9.2358
_cell_length_b 5.1868
_cell_length_c 139.8975
_cell_angle_alpha 90.0
_cell_angle_beta 159.892
_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     4.421893060    15.300946240     0.719317650 
C2 C     4.094529450    15.391177650     0.706315310 
C3 C     3.672443230    15.250836810     0.679213080 
C4 C     3.342738690    15.339697350     0.666036550 
C5 C     2.920826920    15.199332900     0.638951360 
C6 C     2.591751230    15.288330070     0.625827350 
C7 C     2.169684690    15.148046430     0.598756670 
C8 C     1.841669430    15.237104030     0.585721920 
C9 C     1.419473380    15.096801760     0.558680370 
C10 C     1.093000970    15.185756870     0.545778450 
C11 C     0.670883950    15.045209190     0.518788260 
C12 C     0.346383860    15.133742110     0.506061250 
C13 C    -0.075351760    14.993017080     0.479110520 
C14 C    -0.394392430    15.084350870     0.466805500 
C15 C    -1.108269490    15.039285400     0.415905190 
C16 C    -1.838123360    14.919812940     0.365336930 
C17 C    -2.152146610    14.731175990     0.346799930 
C18 C    -2.530983710    14.752694350     0.318494760 
C19 C    -2.607489130    14.964432430     0.307820940 
C20 C    -2.296704380    15.152423820     0.326115260 
C21 C    -1.914592410    15.131063690     0.354666920 
C22 C    -3.082347420    15.181344490     0.267910670 
N1 N    -0.798248300    14.952736120     0.441196510 
N2 N    -1.462250740    14.883414080     0.393825390 
O1 O    -1.070334340    15.236741530     0.413584010 
O2 O    -2.990780180    14.968785170     0.279608510 
H1 H     4.720059790    15.403893970     0.738638650 
H2 H     4.311226020    15.332742240     0.705142930 
H3 H     4.486348210    15.094761280     0.724097860 
H4 H     4.217437580    15.363251040     0.721185820 
H5 H     4.042825730    15.599081900     0.702313330 
H6 H     3.723799450    15.042699050     0.683193310 
H7 H     3.549164290    15.278666870     0.664314450 
H8 H     3.466388410    15.311939670     0.680954340 
H9 H     3.291550280    15.547802840     0.662061600 
H10 H     2.971918070    14.991210580     0.642917420 
H11 H     2.796859810    15.227192400     0.624017750 
H12 H     2.716073840    15.260643410     0.640781280 
H13 H     2.540613120    15.496433340     0.621855000 
H14 H     2.220771310    14.939908070     0.602718120 
H15 H     2.044807290    15.175968980     0.583775150 
H16 H     1.967126480    15.209492150     0.600736660 
H17 H     1.790382020    15.445191250     0.581741650 
H18 H     1.470764220    14.888652710     0.562645160 
H19 H     1.293116620    15.124846670     0.543621580 
H20 H     1.220164130    15.158201690     0.560884380 
H21 H     1.041182180    15.393789060     0.541769780 
H22 H     0.722617060    14.837062660     0.522763120 
H23 H     0.542095400    15.073578500     0.503605470 
H24 H     0.476125310    15.105988180     0.521305880 
H25 H     0.293915800    15.341691350     0.502022670 
H26 H    -0.026658910    14.784701200     0.482905390 
H27 H    -0.211289850    15.024241850     0.463588430 
H28 H    -0.269297960    15.056637090     0.481776040 
H29 H    -0.454801240    15.289891080     0.462116880 
H30 H    -0.836556700    14.787892840     0.442512080 
H31 H    -1.458278570    14.724770290     0.398226050 
H32 H    -2.098439300    14.565218210     0.354702030 
H33 H    -2.773418540    14.607202340     0.304189800 
H34 H    -2.345399340    15.318646950     0.318564010 
H35 H    -1.675132030    15.276923170     0.368731200 
H36 H    -3.398449210    15.147943870     0.245564690 
H37 H    -2.860903190    15.193391600     0.275644390 
H38 H    -3.076940930    15.363599940     0.272210650 

#END
data_-161.389_gel26a_14_11186 
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 4.5748
_cell_length_b 12.1633
_cell_length_c 41.1938
_cell_angle_alpha 90.0
_cell_angle_beta 95.0753
_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     0.436895540    -0.634284060     0.097431120 
C2 C     0.597051860    -0.542013320     0.081034430 
C3 C     0.399217410    -0.479337010     0.055439810 
C4 C     0.557342820    -0.386848630     0.038890930 
C5 C     0.359684180    -0.324216990     0.013288840 
C6 C     0.518357550    -0.231839270    -0.003250630 
C7 C     0.321300990    -0.169157480    -0.028894640 
C8 C     0.480814730    -0.077004370    -0.045434910 
C9 C     0.284625310    -0.014301400    -0.071152810 
C10 C     0.445320580     0.077482130    -0.087716910 
C11 C     0.250136220     0.140108420    -0.113539040 
C12 C     0.412294040     0.231354020    -0.130169330 
C13 C     0.217473000     0.293854410    -0.156023200 
C14 C     0.384516790     0.384502550    -0.172363210 
C15 C     0.040458630     0.533881830    -0.188974280 
C16 C    -0.318933190     0.670091520    -0.215299590 
C17 C    -0.476384010     0.697778450    -0.244949600 
C18 C    -0.663582220     0.787307690    -0.247283780 
C19 C    -0.699345430     0.852121000    -0.219898100 
C20 C    -0.544003880     0.825014490    -0.190342060 
C21 C    -0.354939310     0.734787920    -0.187959740 
C22 C    -0.929447310     1.007132610    -0.197511000 
N1 N     0.204676870     0.445035910    -0.197198600 
N2 N    -0.132249000     0.577867580    -0.215087170 
O1 O     0.051804650     0.569932400    -0.161229030 
O2 O    -0.888693000     0.938776920    -0.224616060 
H1 H     0.583191120    -0.677725990     0.115537010 
H2 H     0.253279010    -0.601884950     0.109828610 
H3 H     0.347799990    -0.694694650     0.079513550 
H4 H     0.784086380    -0.576266420     0.069525430 
H5 H     0.689640700    -0.484054650     0.099570370 
H6 H     0.306409490    -0.537270420     0.036871060 
H7 H     0.211919790    -0.445022510     0.066936630 
H8 H     0.744670660    -0.421229120     0.027420460 
H9 H     0.650043250    -0.328959230     0.057471860 
H10 H     0.266882900    -0.382088220    -0.005291770 
H11 H     0.172441820    -0.289743530     0.024750570 
H12 H     0.705737750    -0.266353140    -0.014681260 
H13 H     0.611055060    -0.173961540     0.015332790 
H14 H     0.228383750    -0.227030830    -0.047468990 
H15 H     0.134105890    -0.134468210    -0.017474140 
H16 H     0.668253940    -0.111752990    -0.056802280 
H17 H     0.573502560    -0.019097140    -0.026860520 
H18 H     0.191518670    -0.072221700    -0.089704090 
H19 H     0.097533070     0.020742890    -0.059798550 
H20 H     0.632808870     0.042367970    -0.098993680 
H21 H     0.537971050     0.135494850    -0.069174120 
H22 H     0.156704050     0.082091860    -0.132043190 
H23 H     0.063359900     0.175763540    -0.102288000 
H24 H     0.599709720     0.195623940    -0.141336660 
H25 H     0.505006460     0.289491730    -0.111675330 
H26 H     0.123486430     0.236475670    -0.174663120 
H27 H     0.033369630     0.331727300    -0.144949130 
H28 H     0.571286840     0.349813870    -0.183712740 
H29 H     0.470225650     0.443884110    -0.154074280 
H30 H     0.188622610     0.416436290    -0.220206430 
H31 H    -0.124114860     0.541201730    -0.236919140 
H32 H    -0.451568890     0.648377520    -0.266491450 
H33 H    -0.784905660     0.808713620    -0.270172780 
H34 H    -0.566592990     0.873355770    -0.168676290 
H35 H    -0.235417660     0.714130940    -0.165037450 
H36 H    -1.085072430     1.070259410    -0.206437340 
H37 H    -1.020348650     0.961120420    -0.177851960 
H38 H    -0.723506280     1.046217460    -0.188010350 

#END
data_-161.301_gel26a_14_28757 
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 9.0169
_cell_length_b 5.0914
_cell_length_c 52.3895
_cell_angle_alpha 90.0
_cell_angle_beta 107.7528
_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     0.695683780     1.529888500     0.108370620 
C2 C     0.787928880     1.341477920     0.096218990 
C3 C     0.705208750     1.278188320     0.066738050 
C4 C     0.796529490     1.089841780     0.054391020 
C5 C     0.713828170     1.026401600     0.024924100 
C6 C     0.805295660     0.837814090     0.012627380 
C7 C     0.722770020     0.773768260    -0.016830180 
C8 C     0.814391750     0.584699970    -0.029046070 
C9 C     0.732054660     0.519683190    -0.058486460 
C10 C     0.823807880     0.329776750    -0.070587740 
C11 C     0.741578500     0.263495270    -0.099998160 
C12 C     0.833360990     0.072289550    -0.111957100 
C13 C     0.751112720     0.005580820    -0.141338670 
C14 C     0.844909100    -0.186309820    -0.152841570 
C15 C     0.787679620    -0.099738340    -0.201098020 
C16 C     0.695150070    -0.073317680    -0.251361770 
C17 C     0.594240310    -0.190068770    -0.274401240 
C18 C     0.582882770    -0.095881590    -0.299697190 
C19 C     0.672437130     0.119091540    -0.302732100 
C20 C     0.772772770     0.236390210    -0.279931190 
C21 C     0.784434540     0.141456960    -0.254406270 
C22 C     0.742905180     0.413803450    -0.332465720 
N1 N     0.769005220    -0.254249190    -0.180758790 
N2 N     0.699994650    -0.182141210    -0.226383470 
O1 O     0.875168370     0.089268070    -0.196831330 
O2 O     0.653280700     0.197694090    -0.328493370 
H1 H     0.757229740     1.571361120     0.129416490 
H2 H     0.675377550     1.717231920     0.097620210 
H3 H     0.581878380     1.447489040     0.107320010 
H4 H     0.810037780     1.158215270     0.107757510 
H5 H     0.902578720     1.425991040     0.098066220 
H6 H     0.590426500     1.193569480     0.064863830 
H7 H     0.683019400     1.461514790     0.055171390 
H8 H     0.818737620     0.906673180     0.065979060 
H9 H     0.911265050     1.174597260     0.056270890 
H10 H     0.599068280     0.941704420     0.023036040 
H11 H     0.691700500     1.209474580     0.013322470 
H12 H     0.827510770     0.654876880     0.024253570 
H13 H     0.920026930     0.922586860     0.014509840 
H14 H     0.607977920     0.689176110    -0.018721880 
H15 H     0.700728900     0.956556120    -0.028478570 
H16 H     0.836592410     0.402140640    -0.017356810 
H17 H     0.929121770     0.669419080    -0.027172020 
H18 H     0.617205520     0.435346150    -0.060372650 
H19 H     0.710168670     0.701999390    -0.070209920 
H20 H     0.845953530     0.147774170    -0.058805290 
H21 H     0.938533720     0.414309950    -0.068743700 
H22 H     0.626635660     0.179646330    -0.101869780 
H23 H     0.720033980     0.444999530    -0.111839710 
H24 H     0.855266040    -0.108989150    -0.100040690 
H25 H     0.948098380     0.156467530    -0.110146860 
H26 H     0.636135550    -0.078834890    -0.143390090 
H27 H     0.731792170     0.184681990    -0.153460100 
H28 H     0.866937600    -0.368381160    -0.141191430 
H29 H     0.957473590    -0.099653700    -0.151675580 
H30 H     0.694878390    -0.407279040    -0.184860140 
H31 H     0.631647700    -0.340930240    -0.227485750 
H32 H     0.523677320    -0.357215780    -0.272447220 
H33 H     0.505090770    -0.186126810    -0.317476420 
H34 H     0.843673540     0.403079950    -0.281552200 
H35 H     0.862152160     0.232980120    -0.236833020 
H36 H     0.710920760     0.442737380    -0.354055940 
H37 H     0.716533240     0.592742200    -0.323047150 
H38 H     0.868033610     0.373272950    -0.324640010 

#END
data_-161.237_gel26a_4_12466 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 7.1699
_cell_length_b 5.0473
_cell_length_c 37.012
_cell_angle_alpha 90.0
_cell_angle_beta 122.4704
_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    -0.525816250    -0.545420110     0.264696970 
C2 C    -0.458809260    -0.426322180     0.308060980 
C3 C    -0.246167490    -0.546562830     0.345466280 
C4 C    -0.177689590    -0.428763820     0.388995000 
C5 C     0.034805060    -0.549031830     0.426399020 
C6 C     0.102837800    -0.431114450     0.469899910 
C7 C     0.315137220    -0.551264480     0.507369210 
C8 C     0.382420690    -0.433320510     0.550827500 
C9 C     0.594376310    -0.553441370     0.588390220 
C10 C     0.660547780    -0.435650190     0.631796130 
C11 C     0.871974000    -0.555975550     0.669458110 
C12 C     0.936683750    -0.438671810     0.712813090 
C13 C     1.147771140    -0.559183130     0.750479180 
C14 C     1.208899950    -0.439237930     0.793491230 
C15 C     1.613412930    -0.451532190     0.842459160 
C16 C     2.014871680    -0.537538390     0.896966080 
C17 C     2.159851740    -0.711333040     0.929757540 
C18 C     2.386180990    -0.672820110     0.952151360 
C19 C     2.474815760    -0.458419860     0.942359110 
C20 C     2.331822380    -0.285144950     0.909771190 
C21 C     2.103498610    -0.323636820     0.887182090 
C22 C     2.796632480    -0.220790500     0.957560070 
N1 N     1.408702110    -0.551206700     0.829946580 
N2 N     1.786707950    -0.590693540     0.875885260 
O1 O     1.636246810    -0.256939920     0.825595070 
O2 O     2.700100960    -0.436798070     0.966238580 
H1 H    -0.678144670    -0.456392940     0.238596960 
H2 H    -0.396749480    -0.514564430     0.257832180 
H3 H    -0.553140740    -0.759094750     0.264141980 
H4 H    -0.593049870    -0.453994880     0.313645890 
H5 H    -0.437332920    -0.211636700     0.307438270 
H6 H    -0.267468600    -0.761467300     0.346122970 
H7 H    -0.111694530    -0.518973140     0.339904310 
H8 H    -0.312295990    -0.456305030     0.394514730 
H9 H    -0.156408520    -0.213907620     0.388312810 
H10 H     0.013600960    -0.763902780     0.427083760 
H11 H     0.169510640    -0.521364010     0.420914040 
H12 H    -0.032022450    -0.458627880     0.475346960 
H13 H     0.124101360    -0.216263960     0.469212200 
H14 H     0.293983140    -0.766156310     0.508045110 
H15 H     0.450167110    -0.523470460     0.501982060 
H16 H     0.247136020    -0.460833180     0.556152550 
H17 H     0.403739640    -0.218476400     0.550156110 
H18 H     0.573230000    -0.768366120     0.589027810 
H19 H     0.729925870    -0.525421290     0.583163010 
H20 H     0.524630740    -0.463219050     0.636938010 
H21 H     0.682065630    -0.220826780     0.631182410 
H22 H     0.850812200    -0.770942220     0.670018570 
H23 H     1.008338270    -0.527454510     0.664498430 
H24 H     0.799816480    -0.466615430     0.717684830 
H25 H     0.958393280    -0.223884520     0.712280640 
H26 H     1.127930210    -0.774138690     0.751328720 
H27 H     1.286154080    -0.527216960     0.746330350 
H28 H     1.074024760    -0.466857770     0.798802100 
H29 H     1.236123860    -0.226630070     0.793350480 
H30 H     1.395000090    -0.713508240     0.844146470 
H31 H     1.748092910    -0.748579780     0.887281690 
H32 H     2.094099050    -0.879100820     0.937816100 
H33 H     2.498035480    -0.806843550     0.977478440 
H34 H     2.394808760    -0.117350220     0.901355280 
H35 H     1.993611330    -0.189128240     0.861987030 
H36 H     2.974370110    -0.239771730     0.979887380 
H37 H     2.758970590    -0.227789510     0.924689210 
H38 H     2.741248320    -0.030393800     0.962802380 

#END
data_-161.125_gel26a_15_21414 
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 64.67
_cell_length_b 9.1943
_cell_length_c 9.1056
_cell_angle_alpha 90.0
_cell_angle_beta 64.8091
_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     0.593859060     0.474103190     0.204887970 
C2 C     0.613221140     0.569327910     0.205482600 
C3 C     0.633564790     0.481200730     0.200974730 
C4 C     0.653029040     0.575449680     0.201532020 
C5 C     0.673363430     0.487385630     0.197125790 
C6 C     0.692797090     0.581861080     0.197855780 
C7 C     0.713142620     0.494069800     0.193663160 
C8 C     0.732522150     0.588865100     0.194764760 
C9 C     0.752876840     0.501441490     0.190976680 
C10 C     0.772174890     0.596654690     0.192733020 
C11 C     0.792524760     0.509612400     0.189576550 
C12 C     0.811714570     0.605293620     0.192351160 
C13 C     0.832042430     0.518360610     0.189495060 
C14 C     0.850989010     0.616317830     0.192701280 
C15 C     0.887988800     0.493687430     0.046636580 
C16 C     0.924795830     0.353491660    -0.054980150 
C17 C     0.938755470     0.270285030    -0.004264350 
C18 C     0.958996250     0.210447750    -0.115571720 
C19 C     0.965913900     0.232015210    -0.281779520 
C20 C     0.952114590     0.314364760    -0.333100230 
C21 C     0.931704210     0.374878240    -0.220957690 
C22 C     0.993884330     0.188957700    -0.551713970 
N1 N     0.870516590     0.536398900     0.190837160 
N2 N     0.904511140     0.410881780     0.066386520 
O1 O     0.888659800     0.528123750    -0.084822620 
O2 O     0.986155580     0.168742000    -0.382222250 
H1 H     0.579558140     0.539715750     0.208397960 
H2 H     0.599760460     0.406345840     0.095805640 
H3 H     0.587320630     0.401315130     0.309957020 
H4 H     0.606720560     0.638632270     0.313778310 
H5 H     0.619103740     0.643333730     0.101175770 
H6 H     0.627697180     0.407080020     0.305334500 
H7 H     0.640083370     0.411785530     0.092615670 
H8 H     0.646491510     0.644873750     0.309865070 
H9 H     0.658886850     0.649513080     0.097150600 
H10 H     0.667510370     0.413281090     0.301470160 
H11 H     0.679919740     0.418026730     0.088751490 
H12 H     0.686224310     0.651290700     0.306182630 
H13 H     0.698652140     0.655920830     0.093476030 
H14 H     0.707289270     0.419914080     0.297965720 
H15 H     0.719749100     0.424778320     0.085240090 
H16 H     0.725889260     0.658284640     0.303099190 
H17 H     0.738385020     0.662924390     0.090387480 
H18 H     0.747011770     0.427195880     0.295206270 
H19 H     0.759565200     0.432273650     0.082472320 
H20 H     0.765450730     0.666033550     0.301099650 
H21 H     0.778065620     0.670711440     0.088361710 
H22 H     0.786634930     0.435211810     0.293668800 
H23 H     0.799349810     0.440729170     0.080919560 
H24 H     0.804848200     0.674504200     0.300897940 
H25 H     0.817639430     0.679390120     0.088047170 
H26 H     0.826313020     0.443825040     0.293364710 
H27 H     0.839300100     0.451349530     0.079857880 
H28 H     0.844372460     0.685454310     0.300791240 
H29 H     0.857290610     0.687410550     0.086655230 
H30 H     0.870296790     0.505151230     0.297391270 
H31 H     0.902158660     0.389060640     0.180866260 
H32 H     0.933662590     0.252284040     0.124360400 
H33 H     0.969776050     0.146330340    -0.076409860 
H34 H     0.956946450     0.333138770    -0.460750300 
H35 H     0.921085110     0.438417390    -0.261283290 
H36 H     1.010075440     0.131150860    -0.608506180 
H37 H     0.981830720     0.143443510    -0.595145360 
H38 H     0.996647390     0.304302360    -0.584806100 

#END
data_-161.085_gel26a_15_77975 
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 45.1907
_cell_length_b 5.4361
_cell_length_c 18.161
_cell_angle_alpha 90.0
_cell_angle_beta 92.4862
_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     0.858340290     0.401364100     0.158296410 
C2 C     0.882438400     0.241294130     0.195692690 
C3 C     0.900716420     0.099039590     0.140864990 
C4 C     0.924886370    -0.061671000     0.177719220 
C5 C     0.943151460    -0.204023410     0.122927360 
C6 C     0.967288430    -0.364796180     0.159909990 
C7 C     0.985564100    -0.507604720     0.105247310 
C8 C     1.009635890    -0.668586340     0.142416220 
C9 C     1.027913190    -0.812152130     0.087930020 
C10 C     1.051879160    -0.973595890     0.125346890 
C11 C     1.070131350    -1.118177650     0.071049920 
C12 C     1.093945120    -1.280466210     0.108751600 
C13 C     1.112161770    -1.425371400     0.054519020 
C14 C     1.135783730    -1.586682400     0.093485360 
C15 C     1.178104890    -1.626834820     0.013500700 
C16 C     1.217084650    -1.735450200    -0.075459120 
C17 C     1.225770680    -1.917617790    -0.124805600 
C18 C     1.250938630    -1.889673420    -0.164731100 
C19 C     1.268252890    -1.677587670    -0.156521240 
C20 C     1.259736000    -1.495608550    -0.107684450 
C21 C     1.234369370    -1.523646490    -0.067336310 
C22 C     1.310986660    -1.455618780    -0.191111130 
N1 N     1.153374440    -1.727636870     0.043179180 
N2 N     1.191219670    -1.779030090    -0.036800080 
O1 O     1.187412040    -1.423487730     0.031228810 
O2 O     1.292688110    -1.666830940    -0.198236850 
H1 H     0.845615160     0.500471080     0.198668490 
H2 H     0.867951120     0.537685220     0.121980630 
H3 H     0.842808160     0.289640020     0.124655200 
H4 H     0.872299180     0.110742390     0.233104620 
H5 H     0.897284040     0.356762660     0.230285210 
H6 H     0.885879190    -0.016619670     0.106206700 
H7 H     0.910873800     0.229564280     0.103388480 
H8 H     0.914710760    -0.192007530     0.215210370 
H9 H     0.939712210     0.054104580     0.212354180 
H10 H     0.928331060    -0.319772210     0.088269540 
H11 H     0.953351680    -0.073772130     0.085459130 
H12 H     0.957076200    -0.494849900     0.197422600 
H13 H     0.982111140    -0.249001590     0.194544550 
H14 H     0.970743700    -0.623279090     0.070564330 
H15 H     0.995822560    -0.377670370     0.067786620 
H16 H     0.999359450    -0.798185070     0.179955530 
H17 H     1.024466690    -0.552856340     0.177046390 
H18 H     1.013080970    -0.927609720     0.053208760 
H19 H     1.038267330    -0.682733500     0.050488390 
H20 H     1.041503070    -1.102534770     0.162913920 
H21 H     1.066738920    -0.858091330     0.159961000 
H22 H     1.055274560    -1.233207310     0.036265100 
H23 H     1.080649180    -0.989600000     0.033679350 
H24 H     1.083402530    -1.408576490     0.146308520 
H25 H     1.108838710    -1.165338510     0.143367120 
H26 H     1.097481230    -1.541274020     0.019583220 
H27 H     1.123262950    -1.298745830     0.017862640 
H28 H     1.125527010    -1.715987450     0.130875990 
H29 H     1.151053990    -1.471388330     0.126409950 
H30 H     1.146042570    -1.894660230     0.026969400 
H31 H     1.181567430    -1.943165100    -0.047216480 
H32 H     1.212595380    -2.083644460    -0.131952560 
H33 H     1.257651450    -2.030355790    -0.202769170 
H34 H     1.272612250    -1.329200260    -0.100018970 
H35 H     1.227867800    -1.382281480    -0.029665060 
H36 H     1.328951640    -1.484280310    -0.228231980 
H37 H     1.298898330    -1.287888940    -0.207224170 
H38 H     1.320218520    -1.434562910    -0.134647030 

#END
data_-161.062_gel26a_2_1360 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 46.7845
_cell_length_b 16.7947
_cell_length_c 32.2278
_cell_angle_alpha 58.1217
_cell_angle_beta 156.6907
_cell_angle_gamma 144.894
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C    -0.638671570    -0.900641840    -0.384341100 
C2 C    -0.223423590    -0.406165110     0.064040310 
C3 C    -0.467904890    -0.738775170    -0.127362200 
C4 C    -0.055813840    -0.248383640     0.318180580 
C5 C    -0.299988610    -0.580549210     0.127061340 
C6 C     0.112994930    -0.088920150     0.573412850 
C7 C    -0.129917730    -0.419418410     0.383560190 
C8 C     0.284429370     0.074164050     0.831137060 
C9 C     0.043327780    -0.253884560     0.643092350 
C10 C     0.459607480     0.242535930     1.092403040 
C11 C     0.220570110    -0.082617040     0.906394670 
C12 C     0.639272520     0.417466870     1.357877230 
C13 C     0.400884020     0.093300110     1.172468280 
C14 C     0.827321220     0.603553250     1.630943280 
C15 C     0.361719140    -0.095965860     1.253824170 
C16 C    -0.117320210    -0.789951000     0.865973190 
C17 C    -0.305740190    -1.017256320     0.717906010 
C18 C    -0.569984240    -1.427418100     0.500362330 
C19 C    -0.654606140    -1.624121830     0.423527120 
C20 C    -0.469340290    -1.401252190     0.568856350 
C21 C    -0.202365290    -0.987057040     0.788719470 
C22 C    -1.009004900    -2.235137440     0.126104160 
N1 N     0.612195680     0.309904610     1.466387670 
N2 N     0.149363070    -0.371697070     1.086418100 
O1 O     0.339017930    -0.190386910     1.225057880 
O2 O    -0.918877360    -2.028925370     0.206638820 
H1 H    -0.453288020    -0.649784230    -0.236618000 
H2 H    -0.982882230    -1.391690240    -0.712435880 
H3 H    -0.805520840    -1.048591890    -0.555066210 
H4 H     0.123186310     0.088231080     0.393044560 
H5 H    -0.053817150    -0.253581380     0.235989950 
H6 H    -0.637806990    -0.891720210    -0.299561740 
H7 H    -0.814916170    -1.233726060    -0.456719560 
H8 H     0.291128320     0.246491620     0.647425560 
H9 H     0.113821230    -0.095770420     0.490096520 
H10 H    -0.469795270    -0.733400850    -0.045012930 
H11 H    -0.646672870    -1.075146400    -0.201892270 
H12 H     0.459817040     0.405845990     0.902459790 
H13 H     0.282608380     0.063670340     0.745301540 
H14 H    -0.299956420    -0.572580010     0.211256930 
H15 H    -0.476226170    -0.913633100     0.055084230 
H16 H     0.630997260     0.568691320     1.159799240 
H17 H     0.454073480     0.226784320     1.003073660 
H18 H    -0.127160050    -0.407628370     0.470320780 
H19 H    -0.302320350    -0.747417230     0.315441490 
H20 H     0.805721640     0.736626280     1.420416440 
H21 H     0.629354290     0.395252750     1.264503860 
H22 H     0.049277610    -0.237402490     0.732774960 
H23 H    -0.123714390    -0.574693420     0.580374330 
H24 H     0.984450630     0.910655060     1.684665040 
H25 H     0.809366790     0.570608340     1.530398530 
H26 H     0.229460440    -0.061958620     0.999075290 
H27 H     0.063837010    -0.390767730     0.854419320 
H28 H     1.172658810     1.096403480     1.958430960 
H29 H     0.986090910     0.741229180     1.793204780 
H30 H     0.619854870     0.372630100     1.479999900 
H31 H     0.191759230    -0.259037580     1.129420530 
H32 H    -0.243970610    -0.869994400     0.774349080 
H33 H    -0.714999180    -1.602341180     0.386494980 
H34 H    -0.528218550    -1.544097810     0.514687660 
H35 H    -0.060135310    -0.816386800     0.900173880 
H36 H    -1.219552550    -2.546196340    -0.045091850 
H37 H    -1.266857830    -2.563526740    -0.155087540 
H38 H    -0.622304670    -1.772397940     0.506517090 

#END
data_-161.062_gel26a_2_19149 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 5.1163
_cell_length_b 8.2646
_cell_length_c 26.9418
_cell_angle_alpha 96.2288
_cell_angle_beta 83.6903
_cell_angle_gamma 94.9365
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.861422030     0.246690780     0.254330450 
C2 C     0.750126980     0.392186370     0.287463900 
C3 C     0.836379710     0.410215210     0.340542680 
C4 C     0.726093340     0.555419110     0.373994430 
C5 C     0.812406950     0.573539410     0.427049950 
C6 C     0.702095680     0.718920830     0.460417940 
C7 C     0.788371690     0.737455250     0.513477930 
C8 C     0.678189980     0.883150090     0.546707700 
C9 C     0.764564380     0.902316850     0.599764570 
C10 C     0.654768870     1.048519610     0.632795590 
C11 C     0.741517540     1.068462000     0.685824570 
C12 C     0.632519710     1.215403780     0.718604740 
C13 C     0.719532680     1.235584640     0.771584280 
C14 C     0.608618670     1.383476130     0.803622090 
C15 C     0.549435740     1.326525060     0.892105070 
C16 C     0.566014670     1.293956050     0.983293440 
C17 C     0.718484390     1.335776330     1.023646220 
C18 C     0.638376040     1.283259350     1.070346600 
C19 C     0.402325630     1.186750830     1.078133300 
C20 C     0.249997720     1.144481340     1.038196690 
C21 C     0.330459410     1.197477750     0.991084810 
C22 C     0.100825340     1.044085540     1.135109120 
N1 N     0.689314940     1.406092920     0.854192020 
N2 N     0.661566540     1.353049940     0.937055050 
O1 O     0.344847090     1.242675010     0.886040000 
O2 O     0.339765770     1.140984350     1.125516220 
H1 H     0.797139660     0.236843930     0.216670010 
H2 H     0.797351370     0.132084840     0.270446340 
H3 H     1.077217550     0.257838400     0.250454600 
H4 H     0.811664560     0.504761350     0.269858250 
H5 H     0.534138580     0.379850020     0.289807120 
H6 H     1.052558370     0.422577460     0.338245230 
H7 H     0.774880100     0.297583460     0.358196610 
H8 H     0.787556040     0.667957840     0.356297240 
H9 H     0.509954210     0.542958940     0.376275310 
H10 H     1.028543670     0.585959260     0.424782330 
H11 H     0.750813760     0.461087770     0.444780600 
H12 H     0.763555200     0.831314490     0.442642760 
H13 H     0.485963570     0.706448280     0.462693190 
H14 H     1.004512760     0.749803260     0.511213340 
H15 H     0.726626400     0.625213960     0.531310400 
H16 H     0.739688740     0.995298050     0.528801990 
H17 H     0.462059090     0.870711200     0.549000220 
H18 H     0.980717050     0.914493450     0.597480820 
H19 H     0.702553530     0.790426860     0.617761850 
H20 H     0.716381670     1.160294260     0.614694820 
H21 H     0.438639810     1.036197550     0.635149610 
H22 H     0.957677030     1.080314700     0.683497350 
H23 H     0.678954850     0.957198480     0.704088740 
H24 H     0.694591180     1.326633250     0.700214440 
H25 H     0.416420880     1.203304990     0.721031790 
H26 H     0.935512220     1.247810720     0.769614850 
H27 H     0.653513350     1.126559910     0.790582330 
H28 H     0.670119080     1.495288930     0.785772180 
H29 H     0.393551050     1.369365920     0.807113910 
H30 H     0.858760810     1.473065320     0.860145040 
H31 H     0.831173010     1.424525840     0.937661310 
H32 H     0.902538920     1.410615680     1.018319700 
H33 H     0.755961860     1.315646400     1.101494170 
H34 H     0.066392910     1.069933090     1.042906270 
H35 H     0.211998930     1.164366850     0.960309250 
H36 H     0.088542620     1.022277610     1.174460770 
H37 H     0.100391740     0.926871670     1.111770350 
H38 H    -0.070331920     1.107550180     1.128821840 

#END
data_-161.057_gel26a_14_19187 
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 6.7346
_cell_length_b 7.7834
_cell_length_c 55.1578
_cell_angle_alpha 90.0
_cell_angle_beta 51.7325
_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     0.013580870     0.087618850     0.640900160 
C2 C     0.209527410     0.075856900     0.646420680 
C3 C     0.092607520     0.087408310     0.680597240 
C4 C     0.287052200     0.075771940     0.686369780 
C5 C     0.170255020     0.087419760     0.720531440 
C6 C     0.365086260     0.075926720     0.726245220 
C7 C     0.248838580     0.087759170     0.760385810 
C8 C     0.444235620     0.076602140     0.766010660 
C9 C     0.328753930     0.088805970     0.800121680 
C10 C     0.524923120     0.078265410     0.805626310 
C11 C     0.410275560     0.091076700     0.839700730 
C12 C     0.607366720     0.081525590     0.845065050 
C13 C     0.492959020     0.094634490     0.879112680 
C14 C     0.693649250     0.085153920     0.883898390 
C15 C     0.503486440    -0.045406280     0.934595590 
C16 C     0.296479630    -0.126279050     0.989613610 
C17 C     0.193749920    -0.057941920     1.018759980 
C18 C     0.092575540    -0.163681770     1.044085150 
C19 C     0.090878030    -0.341819650     1.041019730 
C20 C     0.192236210    -0.410642160     1.012143690 
C21 C     0.294527260    -0.304146570     0.986575700 
C22 C    -0.016476600    -0.616836680     1.065159740 
N1 N     0.590143580     0.098116380     0.916096560 
N2 N     0.396450240    -0.009532380     0.965033850 
O1 O     0.523577150    -0.189618590     0.924581420 
O2 O    -0.012867130    -0.435541770     1.067320260 
H1 H     0.102126640     0.079288230     0.616333000 
H2 H    -0.125032030    -0.016351980     0.652736740 
H3 H    -0.090042750     0.209176290     0.649592580 
H4 H     0.349515190     0.178679340     0.633698520 
H5 H     0.314336150    -0.045167930     0.636898790 
H6 H    -0.012355590     0.208508890     0.690154230 
H7 H    -0.047557810    -0.015461520     0.693352140 
H8 H     0.427192280     0.178610500     0.673592890 
H9 H     0.391894110    -0.045343830     0.676810480 
H10 H     0.065339800     0.208503390     0.730100340 
H11 H     0.030245910    -0.015470180     0.733316060 
H12 H     0.505173470     0.178753390     0.713430890 
H13 H     0.469917700    -0.045187070     0.716683700 
H14 H     0.143822790     0.208806570     0.769960440 
H15 H     0.109015820    -0.015186460     0.773209900 
H16 H     0.584204850     0.179430770     0.753136200 
H17 H     0.549080450    -0.044507970     0.756457380 
H18 H     0.223542490     0.209788780     0.809694860 
H19 H     0.189258030    -0.014234460     0.813008020 
H20 H     0.664676110     0.181122850     0.792665260 
H21 H     0.629813200    -0.042834470     0.796102380 
H22 H     0.304715460     0.211935370     0.849266200 
H23 H     0.271453680    -0.012152080     0.852678400 
H24 H     0.746643150     0.184581640     0.831990440 
H25 H     0.712403600    -0.039505020     0.835573070 
H26 H     0.387376130     0.215299290     0.888854780 
H27 H     0.357777970    -0.009867190     0.892211150 
H28 H     0.833089190     0.187770390     0.871073600 
H29 H     0.793676410    -0.037201760     0.875178670 
H30 H     0.568721070     0.215568500     0.925054420 
H31 H     0.389864650     0.114556050     0.970690680 
H32 H     0.193273470     0.080152560     1.021599970 
H33 H     0.013477710    -0.110933750     1.066571650 
H34 H     0.193880110    -0.547860140     1.008957720 
H35 H     0.372560770    -0.358013960     0.964294290 
H36 H    -0.104605850    -0.665793260     1.088271130 
H37 H    -0.128011540    -0.657168560     1.057838330 
H38 H     0.175138370    -0.669439390     1.049106380 

#END
data_-161.037_gel26a_14_22534 
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 9.3966
_cell_length_b 60.9513
_cell_length_c 6.808
_cell_angle_alpha 90.0
_cell_angle_beta 35.2105
_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     0.458897640     0.622519120     0.197221410 
C2 C     0.415313020     0.598613550     0.187364970 
C3 C     0.572029590     0.582381400     0.128449930 
C4 C     0.529805580     0.558419500     0.118160390 
C5 C     0.686551410     0.542188680     0.059061950 
C6 C     0.644197490     0.518238560     0.048528490 
C7 C     0.800946240     0.501973290    -0.010972160 
C8 C     0.758536000     0.478044410    -0.022107180 
C9 C     0.915417800     0.461732760    -0.082392940 
C10 C     0.873114190     0.437833960    -0.094661940 
C11 C     1.030357190     0.421478000    -0.156196430 
C12 C     0.988480030     0.397615720    -0.170323800 
C13 C     1.145912240     0.381261850    -0.232435480 
C14 C     1.101282110     0.357518650    -0.246295180 
C15 C     1.169873580     0.333187340    -0.040380340 
C16 C     1.313659960     0.307625590     0.063264700 
C17 C     1.514601830     0.294829900    -0.101905330 
C18 C     1.504301210     0.282762630     0.081627570 
C19 C     1.291779360     0.283142240     0.437622100 
C20 C     1.091531900     0.295846030     0.603519820 
C21 C     1.101601210     0.308011280     0.418717490 
C22 C     1.086452230     0.270475560     0.957444890 
N1 N     1.249641140     0.341599820    -0.306741800 
N2 N     1.339280160     0.319344610    -0.142927570 
O1 O     0.967251470     0.337527850     0.256327200 
O2 O     1.299058720     0.270686500     0.596332880 
H1 H     0.345095640     0.633744770     0.239054860 
H2 H     0.414718510     0.625152110     0.402116050 
H3 H     0.652077060     0.627173210    -0.042271010 
H4 H     0.454876590     0.596552850    -0.014119520 
H5 H     0.219665740     0.594526220     0.426893730 
H6 H     0.767919070     0.586456240    -0.111260990 
H7 H     0.532565960     0.584432230     0.330001520 
H8 H     0.569166250     0.556388670    -0.083293570 
H9 H     0.333921230     0.554358250     0.357920040 
H10 H     0.882449580     0.546248890    -0.180639350 
H11 H     0.647125650     0.544199670     0.260589100 
H12 H     0.683432340     0.516243300    -0.152839540 
H13 H     0.448310570     0.514180170     0.288288860 
H14 H     0.996847380     0.506038250    -0.250597830 
H15 H     0.761543020     0.503933090     0.190582360 
H16 H     0.797600920     0.476109800    -0.223374500 
H17 H     0.562677530     0.473978040     0.217631970 
H18 H     1.111289230     0.465817300    -0.321864330 
H19 H     0.876034080     0.463608460     0.119214290 
H20 H     0.911975520     0.435991570    -0.295829590 
H21 H     0.677354490     0.433739330     0.145007530 
H22 H     1.226148190     0.425601480    -0.395367410 
H23 H     0.990897690     0.423210570     0.045560630 
H24 H     1.027305250     0.395915300    -0.371653360 
H25 H     0.792869690     0.393481510     0.069142900 
H26 H     1.342080190     0.385241050    -0.471484680 
H27 H     1.104504400     0.382521850    -0.028810010 
H28 H     1.140403630     0.355592820    -0.447151220 
H29 H     0.907996910     0.353229950    -0.004732800 
H30 H     1.418609070     0.337907990    -0.548946630 
H31 H     1.501050130     0.316971910    -0.395174380 
H32 H     1.681350160     0.294333660    -0.378340450 
H33 H     1.659318290     0.272875490    -0.045872360 
H34 H     0.924331390     0.296520920     0.878594770 
H35 H     0.946262300     0.317821390     0.548253370 
H36 H     1.130095620     0.259660650     1.030674110 
H37 H     1.043754470     0.286886920     1.062001650 
H38 H     0.925191070     0.264063280     1.060818160 

#END
data_-160.823_gel26a_15_50706 
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 59.7599
_cell_length_b 9.4132
_cell_length_c 9.6679
_cell_angle_alpha 90.0
_cell_angle_beta 118.8188
_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     0.620480560     1.001147010     0.474582190 
C2 C     0.604436280     0.880006440     0.486571950 
C3 C     0.579737250     0.931253510     0.481434990 
C4 C     0.563546720     0.810876160     0.493348550 
C5 C     0.538861500     0.862074530     0.488313660 
C6 C     0.522714700     0.741525090     0.500404820 
C7 C     0.498032730     0.792439520     0.495601740 
C8 C     0.481961060     0.671659950     0.508066820 
C9 C     0.457291410     0.722196830     0.503689640 
C10 C     0.441331740     0.601127620     0.516807280 
C11 C     0.416693110     0.651288150     0.513077160 
C12 C     0.400881090     0.529911470     0.527202210 
C13 C     0.376274590     0.579992760     0.523769860 
C14 C     0.360814440     0.456831370     0.538410990 
C15 C     0.315190180     0.519295560     0.395701490 
C16 C     0.269767800     0.597121370     0.295574160 
C17 C     0.252762560     0.651904420     0.343560660 
C18 C     0.227588850     0.680332020     0.235024160 
C19 C     0.218620830     0.654819430     0.074418760 
C20 C     0.235415420     0.600614740     0.025819520 
C21 C     0.260805670     0.571786730     0.135181160 
C22 C     0.183567870     0.660705570    -0.187363630 
N1 N     0.337339130     0.501505570     0.536222710 
N2 N     0.295050500     0.570722480     0.413850560 
O1 O     0.313766940     0.490300890     0.268606840 
O2 O     0.193482280     0.686112550    -0.023639040 
H1 H     0.637999700     0.961639100     0.478776210 
H2 H     0.609813380     1.059863860     0.364010280 
H3 H     0.625945630     1.076790100     0.571567250 
H4 H     0.615772650     0.820806960     0.596318240 
H5 H     0.599710620     0.804227570     0.390251270 
H6 H     0.584443580     1.007115470     0.577803990 
H7 H     0.568376710     0.990531610     0.371623430 
H8 H     0.574926760     0.751620820     0.603130180 
H9 H     0.558847790     0.735084930     0.396951830 
H10 H     0.543553230     0.937898510     0.584672310 
H11 H     0.527464100     0.921239640     0.378500590 
H12 H     0.534131240     0.682320910     0.610171630 
H13 H     0.518018500     0.665741660     0.404008790 
H14 H     0.502721970     0.868313990     0.591915660 
H15 H     0.486585540     0.851462500     0.385758060 
H16 H     0.493439330     0.612560890     0.617824930 
H17 H     0.477256800     0.595864390     0.411675210 
H18 H     0.461987830     0.798177770     0.599922560 
H19 H     0.445763490     0.780974980     0.393795260 
H20 H     0.452903050     0.542211490     0.626570880 
H21 H     0.436598730     0.525289840     0.420428570 
H22 H     0.421406460     0.727460380     0.609157870 
H23 H     0.405033380     0.709584110     0.403086730 
H24 H     0.412595160     0.471375120     0.637095400 
H25 H     0.396115610     0.453979190     0.430901320 
H26 H     0.380813200     0.656045120     0.619663400 
H27 H     0.364229590     0.635859760     0.413050790 
H28 H     0.372260190     0.397983280     0.647913270 
H29 H     0.355507880     0.383207650     0.440287620 
H30 H     0.338020820     0.527651490     0.639098000 
H31 H     0.298451130     0.591050820     0.524623940 
H32 H     0.259379840     0.672474550     0.467828720 
H33 H     0.214462760     0.722507550     0.272087590 
H34 H     0.229115290     0.579693200    -0.097502920 
H35 H     0.273723060     0.529944740     0.096973020 
H36 H     0.163548420     0.691711700    -0.243068190 
H37 H     0.193419130     0.724616210    -0.236348390 
H38 H     0.184930290     0.548169560    -0.211503290 

#END
data_-160.811_gel26a_2_18747 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 5.2632
_cell_length_b 8.1027
_cell_length_c 31.7819
_cell_angle_alpha 122.2154
_cell_angle_beta 95.2786
_cell_angle_gamma 92.3998
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     1.092431800     0.762975430     0.239553620 
C2 C     1.144647030     0.548615970     0.206864880 
C3 C     0.959907730     0.431436120     0.157808630 
C4 C     1.010516510     0.216794490     0.124831860 
C5 C     0.825774230     0.099575620     0.075801860 
C6 C     0.876588400    -0.115074380     0.042909730 
C7 C     0.691909940    -0.232707500    -0.006117550 
C8 C     0.742904230    -0.447380390    -0.038864750 
C9 C     0.558196260    -0.565616360    -0.087873730 
C10 C     0.609266550    -0.780364980    -0.120405700 
C11 C     0.424331380    -0.899276500    -0.169361490 
C12 C     0.475214340    -1.114196170    -0.201611030 
C13 C     0.290149800    -1.233224880    -0.250506280 
C14 C     0.344392940    -1.447720720    -0.282066310 
C15 C     0.219656770    -1.571397270    -0.371342760 
C16 C     0.020438170    -1.719306870    -0.460623110 
C17 C    -0.199276190    -1.830183370    -0.494887000 
C18 C    -0.221127610    -1.876734390    -0.543841550 
C19 C    -0.023042970    -1.813369680    -0.560080270 
C20 C     0.195672850    -1.702871500    -0.526227880 
C21 C     0.218050170    -1.655949090    -0.476851680 
C22 C     0.135033210    -1.806736930    -0.627162530 
N1 N     0.170268250    -1.564750540    -0.328738960 
N2 N     0.027428840    -1.679081900    -0.411550290 
O1 O     0.416710880    -1.490891630    -0.372898980 
O2 O    -0.062157980    -1.866717790    -0.609068650 
H1 H     1.226676530     0.843053440     0.274330020 
H2 H     1.110493220     0.838466700     0.219722480 
H3 H     0.897979350     0.773631100     0.249713120 
H4 H     1.131739040     0.477890360     0.228039670 
H5 H     1.342210750     0.542141210     0.198174210 
H6 H     0.762076540     0.437807170     0.166460500 
H7 H     0.972679220     0.502123770     0.136586630 
H8 H     0.997857110     0.146280710     0.146093240 
H9 H     1.208334500     0.210554090     0.116195370 
H10 H     0.627928610     0.105828850     0.084424530 
H11 H     0.838498010     0.169930010     0.054505770 
H12 H     0.864073460    -0.185292680     0.064244390 
H13 H     1.074409820    -0.121291140     0.034278710 
H14 H     0.494047750    -0.226390110     0.002500860 
H15 H     0.704594080    -0.162769300    -0.027513350 
H16 H     0.730588860    -0.517098460    -0.017406250 
H17 H     0.940693310    -0.453664020    -0.047511950 
H18 H     0.360345700    -0.559093440    -0.079239640 
H19 H     0.570835490    -0.496363530    -0.109431230 
H20 H     0.597196710    -0.849326020    -0.098760680 
H21 H     0.806942590    -0.786884030    -0.129110640 
H22 H     0.226531350    -0.892351840    -0.160691100 
H23 H     0.437017640    -0.831197430    -0.191183210 
H24 H     0.463237330    -1.182023680    -0.179680720 
H25 H     0.672737310    -1.121075260    -0.210382090 
H26 H     0.091843860    -1.227383960    -0.242183320 
H27 H     0.304837380    -1.168999860    -0.273099670 
H28 H     0.331935290    -1.517223090    -0.260668880 
H29 H     0.538654380    -1.454685940    -0.291888080 
H30 H     0.004997650    -1.630861610    -0.328407350 
H31 H    -0.126993420    -1.738971950    -0.405900450 
H32 H    -0.355240890    -1.880666640    -0.482961340 
H33 H    -0.390614750    -1.962428390    -0.570290050 
H34 H     0.352462830    -1.651420380    -0.537532090 
H35 H     0.387558380    -1.570343790    -0.450805910 
H36 H     0.066660800    -1.864266810    -0.666397540 
H37 H     0.171131220    -1.646462220    -0.606674340 
H38 H     0.314321010    -1.867003980    -0.624649240 

#END
data_-160.738_gel26a_14_7747 
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 4.8929
_cell_length_b 53.3933
_cell_length_c 9.5135
_cell_angle_alpha 90.0
_cell_angle_beta 111.6742
_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     0.306793960     0.446324490     0.037097990 
C2 C     0.228314200     0.463352270     0.145952290 
C3 C     0.361883970     0.489576980     0.159054670 
C4 C     0.284686840     0.506760060     0.267687670 
C5 C     0.418323070     0.532973280     0.280884910 
C6 C     0.341070840     0.550115170     0.389694770 
C7 C     0.474733610     0.576331580     0.403257230 
C8 C     0.397582790     0.593405180     0.512397450 
C9 C     0.531452120     0.619621180     0.526538420 
C10 C     0.454677680     0.636596240     0.636228540 
C11 C     0.589065460     0.662799220     0.651115100 
C12 C     0.513125300     0.679649440     0.761623610 
C13 C     0.647810800     0.705827780     0.776767220 
C14 C     0.569405180     0.722315390     0.888084630 
C15 C     0.553439010     0.766296830     0.808052390 
C16 C     0.627062520     0.811506540     0.758125580 
C17 C     0.829333530     0.831310740     0.803522910 
C18 C     0.763210020     0.854584120     0.735401710 
C19 C     0.491578460     0.858771530     0.619170380 
C20 C     0.289669430     0.839172870     0.573283900 
C21 C     0.355987530     0.815695230     0.641978630 
C22 C     0.172717350     0.887450190     0.441623590 
N1 N     0.695878740     0.747315570     0.905263390 
N2 N     0.711642070     0.788442530     0.833844410 
O1 O     0.309494600     0.763557680     0.710323280 
O2 O     0.446417080     0.882359570     0.558995940 
H1 H     0.209069380     0.427730770     0.030073800 
H2 H     0.228412260     0.454228970    -0.077093580 
H3 H     0.545124320     0.443941620     0.073538890 
H4 H     0.302582420     0.454708710     0.258397590 
H5 H    -0.011431980     0.464971360     0.108806310 
H6 H     0.601875380     0.487980270     0.196234910 
H7 H     0.287680840     0.498244330     0.046551000 
H8 H     0.358805770     0.498071100     0.380114480 
H9 H     0.044712840     0.508348240     0.230428560 
H10 H     0.658296830     0.531391610     0.318104330 
H11 H     0.344095400     0.541679350     0.168512320 
H12 H     0.415111760     0.541387140     0.502010770 
H13 H     0.101098950     0.551700510     0.352426820 
H14 H     0.714702870     0.574751260     0.440412080 
H15 H     0.400437940     0.585089050     0.291029610 
H16 H     0.471542070     0.584611660     0.624530630 
H17 H     0.157628990     0.594999170     0.475155460 
H18 H     0.771394550     0.618030940     0.563545970 
H19 H     0.457026610     0.628461900     0.414552880 
H20 H     0.528575380     0.627704730     0.748089600 
H21 H     0.214785030     0.638221040     0.599076050 
H22 H     0.828935650     0.661186660     0.687844300 
H23 H     0.514303810     0.671775160     0.539558710 
H24 H     0.587253700     0.670611840     0.873122920 
H25 H     0.273349670     0.681310940     0.724656380 
H26 H     0.887777290     0.704394230     0.813720270 
H27 H     0.570057120     0.715180950     0.666623920 
H28 H     0.643350440     0.713548870     0.999904050 
H29 H     0.331160560     0.724499400     0.849173050 
H30 H     0.898146050     0.750040930     0.983758170 
H31 H     0.911256280     0.788520120     0.917722680 
H32 H     1.041560170     0.828415040     0.893597990 
H33 H     0.919242240     0.869871080     0.770526510 
H34 H     0.077578500     0.841761600     0.483676330 
H35 H     0.199118360     0.800593540     0.606009730 
H36 H     0.181727880     0.906986680     0.410840490 
H37 H     0.138321360     0.875599900     0.342448630 
H38 H    -0.011123480     0.884843890     0.479788920 

#END
data_-160.636_gel26a_19_8782 
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 5.0794
_cell_length_b 6.8763
_cell_length_c 65.412
_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     0.272652930     0.153142060     0.131799480 
C2 C     0.157868020     0.069890840     0.151570710 
C3 C     0.284603410     0.154947470     0.170827340 
C4 C     0.171155600     0.072612400     0.190690960 
C5 C     0.297914050     0.157521620     0.209944560 
C6 C     0.184335310     0.074827910     0.229789140 
C7 C     0.310973720     0.159305930     0.249067490 
C8 C     0.197346320     0.075991490     0.268881530 
C9 C     0.323949890     0.159784380     0.288193990 
C10 C     0.210441580     0.075507890     0.307967030 
C11 C     0.337237540     0.158400930     0.327312600 
C12 C     0.224171230     0.072792850     0.347038890 
C13 C     0.351142710     0.155319890     0.366380290 
C14 C     0.235340750     0.067269440     0.385905480 
C15 C     0.260580540     0.310353970     0.413448950 
C16 C     0.359169270     0.529763990     0.443177990 
C17 C     0.537059680     0.560808060     0.459258370 
C18 C     0.505900210     0.715105920     0.472613780 
C19 C     0.294995600     0.843746250     0.470270980 
C20 C     0.117684000     0.814021470     0.454309380 
C21 C     0.148760090     0.658360890     0.440837750 
C22 C     0.068402140     1.124345800     0.482478760 
N1 N     0.353469310     0.142562960     0.404558170 
N2 N     0.404873250     0.368743930     0.430326910 
O1 O     0.067266840     0.396021030     0.406970130 
O2 O     0.280642940     0.991497270     0.484213630 
H1 H     0.179019330     0.089779130     0.118305740 
H2 H     0.245292960     0.310851570     0.131070820 
H3 H     0.484126170     0.124372760     0.130756200 
H4 H     0.181874470    -0.088574230     0.151673840 
H5 H    -0.054815780     0.096821240     0.152017160 
H6 H     0.497510870     0.128074520     0.170397890 
H7 H     0.260686700     0.313569620     0.170737700 
H8 H     0.195018820    -0.085996940     0.190760490 
H9 H    -0.041705470     0.099554470     0.191109140 
H10 H     0.510791960     0.130649570     0.209528730 
H11 H     0.273929110     0.316111470     0.209891690 
H12 H     0.208161170    -0.083785010     0.229823550 
H13 H    -0.028520730     0.101771480     0.230204670 
H14 H     0.523873420     0.132516530     0.248648680 
H15 H     0.286876140     0.317884660     0.249061860 
H16 H     0.221155030    -0.082626220     0.268856960 
H17 H    -0.015501250     0.102934210     0.269304910 
H18 H     0.536881010     0.133138460     0.287758950 
H19 H     0.299648210     0.318334320     0.288265460 
H20 H     0.234281640    -0.083112750     0.307853870 
H21 H    -0.002377720     0.102450860     0.308418230 
H22 H     0.550206920     0.132011970     0.326844400 
H23 H     0.312471010     0.316847950     0.327512330 
H24 H     0.248346940    -0.085853800     0.346794330 
H25 H     0.011396200     0.099644770     0.347527810 
H26 H     0.564148580     0.129267300     0.366057110 
H27 H     0.323040920     0.313014010     0.366964430 
H28 H     0.259266640    -0.090877360     0.385881490 
H29 H     0.024897570     0.098388790     0.386649120 
H30 H     0.514856760     0.076141270     0.410107750 
H31 H     0.561080730     0.286642500     0.434276600 
H32 H     0.702206660     0.462456470     0.461320100 
H33 H     0.643085100     0.738958700     0.485032050 
H34 H    -0.047579700     0.910789710     0.452049630 
H35 H     0.011152570     0.636073090     0.428509150 
H36 H     0.093012030     1.228113150     0.494904010 
H37 H     0.073049780     1.201988470     0.467847460 
H38 H    -0.122045570     1.050987440     0.484105890 

#END
data_-160.585_gel26a_15_79546 
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 167.6935
_cell_length_b 4.4621
_cell_length_c 10.6826
_cell_angle_alpha 90.0
_cell_angle_beta 33.5472
_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     0.487353270     0.334888270     0.772444070 
C2 C     0.478035080     0.150536010     0.984036960 
C3 C     0.466858880     0.339321080     1.200356930 
C4 C     0.457480640     0.157000580     1.413019060 
C5 C     0.446312550     0.345680730     1.629283610 
C6 C     0.436956540     0.162931190     1.841693240 
C7 C     0.425790710     0.351120420     2.058175040 
C8 C     0.416475400     0.167795400     2.270164460 
C9 C     0.405318980     0.355352710     2.486925620 
C10 C     0.396067300     0.171317860     2.698322120 
C11 C     0.384934150     0.358272150     2.915308800 
C12 C     0.375770700     0.173513810     3.125979180 
C13 C     0.364658290     0.360318380     3.342858350 
C14 C     0.355647450     0.170915150     3.551128470 
C15 C     0.331577220     0.398740370     3.886407810 
C16 C     0.308777440     0.674786120     4.238240210 
C17 C     0.302516710     0.865821140     4.409210430 
C18 C     0.288487630     0.966848500     4.579353360 
C19 C     0.280258810     0.879662890     4.583585770 
C20 C     0.286413910     0.690287420     4.414073630 
C21 C     0.300558870     0.588029480     4.242467000 
C22 C     0.257771150     0.905810350     4.769885690 
N1 N     0.345021590     0.343284750     3.759917810 
N2 N     0.323104230     0.581553900     4.071871310 
O1 O     0.327652720     0.291908460     3.838187610 
O2 O     0.266521200     0.990751430     4.758311480 
H1 H     0.495243710     0.194803040     0.620598150 
H2 H     0.480713840     0.445471820     0.788288560 
H3 H     0.493280340     0.509598150     0.745151940 
H4 H     0.484970170     0.036273370     0.961407110 
H5 H     0.472475490    -0.026774860     1.004586250 
H6 H     0.472411540     0.516888750     1.179990010 
H7 H     0.459911970     0.453801120     1.223152030 
H8 H     0.464436610     0.042485580     1.390007920 
H9 H     0.451932020    -0.020461200     1.433269490 
H10 H     0.451857390     0.523218420     1.609067800 
H11 H     0.439346160     0.460060630     1.652481460 
H12 H     0.443930500     0.048385370     1.818298390 
H13 H     0.431409370    -0.014524050     1.861914530 
H14 H     0.431334140     0.528750660     2.037937150 
H15 H     0.418797530     0.465374380     2.081896100 
H16 H     0.423480440     0.053241960     2.246122490 
H17 H     0.410924270    -0.009654270     2.290471380 
H18 H     0.410865740     0.533139960     2.466528100 
H19 H     0.398282140     0.469372860     2.511500040 
H20 H     0.403119960     0.056810480     2.673305920 
H21 H     0.390501990    -0.006110910     2.718932840 
H22 H     0.390488650     0.536324520     2.894581600 
H23 H     0.377824430     0.471737670     2.941302120 
H24 H     0.382900640     0.059328660     3.099498420 
H25 H     0.370190050    -0.003959980     3.146988500 
H26 H     0.370122940     0.538664500     3.323768300 
H27 H     0.357309940     0.469907150     3.373149720 
H28 H     0.362635140     0.056878800     3.527153050 
H29 H     0.349802790    -0.000729580     3.575407360 
H30 H     0.348013930     0.436845370     3.802440320 
H31 H     0.327485200     0.657033040     4.094904880 
H32 H     0.308742150     0.936097040     4.408726650 
H33 H     0.283653870     1.114090670     4.711380780 
H34 H     0.280356050     0.618576520     4.412166540 
H35 H     0.305272460     0.441721330     4.111668670 
H36 H     0.247417050     1.015961690     4.919565110 
H37 H     0.262415960     0.980398210     4.620039260 
H38 H     0.256149860     0.662584180     4.787962390 

#END
data_-160.511_gel26a_2_12115 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 29.4194
_cell_length_b 7.9014
_cell_length_c 11.1873
_cell_angle_alpha 36.341
_cell_angle_beta 70.4804
_cell_angle_gamma 94.3885
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     0.719243880     0.503997680     0.749181230 
C2 C     0.708659850     0.722976480     0.552449350 
C3 C     0.640740880     0.551217870     0.695933080 
C4 C     0.629654860     0.768195310     0.500914050 
C5 C     0.561765100     0.596689170     0.644269610 
C6 C     0.550795330     0.814332140     0.448826860 
C7 C     0.482947190     0.643679630     0.591621640 
C8 C     0.472152730     0.862413670     0.395565980 
C9 C     0.404362460     0.693053740     0.537587290 
C10 C     0.393804190     0.913417230     0.340707620 
C11 C     0.326084630     0.745652560     0.481898600 
C12 C     0.315800710     0.968185340     0.284055950 
C13 C     0.248133090     0.801009420     0.425006040 
C14 C     0.239000120     1.028641420     0.223103510 
C15 C     0.138957320     0.621025480     0.442102750 
C16 C     0.030085540     0.232529640     0.684897780 
C17 C    -0.028131480     0.134948470     0.814649230 
C18 C    -0.077914880    -0.112519590     0.927359310 
C19 C    -0.070962800    -0.270886330     0.913852760 
C20 C    -0.013280780    -0.175720300     0.785648930 
C21 C     0.036981440     0.074065370     0.671689770 
C22 C    -0.117568620    -0.676431940     1.019569720 
N1 N     0.175012360     0.876704900     0.351662630 
N2 N     0.078336270     0.487535210     0.574737950 
O1 O     0.159535810     0.527773140     0.404118060 
O2 O    -0.122741340    -0.511833860     1.030738640 
H1 H     0.768072940     0.632863300     0.641453250 
H2 H     0.696110690     0.229248690     0.890896350 
H3 H     0.701271360     0.477800520     0.869703700 
H4 H     0.733554690     0.999418710     0.408639800 
H5 H     0.728274270     0.752080480     0.430188280 
H6 H     0.621056320     0.521953510     0.818381160 
H7 H     0.615781150     0.274479560     0.839942560 
H8 H     0.654658240     1.044901570     0.356912880 
H9 H     0.649343870     0.797302700     0.378586760 
H10 H     0.542057130     0.567452950     0.766675840 
H11 H     0.536746850     0.320085280     0.788138870 
H12 H     0.575872840     1.091009140     0.304852950 
H13 H     0.570488710     0.843431380     0.326508860 
H14 H     0.463227890     0.614282730     0.714131600 
H15 H     0.457851340     0.367202790     0.735324030 
H16 H     0.497349140     1.139022700     0.251671090 
H17 H     0.491829800     0.891522410     0.273240270 
H18 H     0.384646060     0.663364740     0.660290850 
H19 H     0.379144270     0.416810710     0.680992440 
H20 H     0.419171630     1.189895850     0.196975670 
H21 H     0.413423140     0.942554330     0.218356740 
H22 H     0.306383610     0.715441050     0.604942990 
H23 H     0.300687480     0.469942720     0.624665870 
H24 H     0.341391370     1.244404770     0.140746160 
H25 H     0.335356260     0.997523100     0.161582560 
H26 H     0.228083160     0.770383390     0.548180790 
H27 H     0.222508430     0.528399310     0.564052710 
H28 H     0.264098420     1.304361970     0.079766460 
H29 H     0.257025300     1.049819180     0.106168070 
H30 H     0.156656680     0.945587310     0.388305940 
H31 H     0.066507530     0.584242680     0.594482750 
H32 H    -0.034441750     0.254996690     0.827264750 
H33 H    -0.122829350    -0.187589630     1.027303370 
H34 H    -0.006287910    -0.293156880     0.771670570 
H35 H     0.081493700     0.146599760     0.572888700 
H36 H    -0.163229760    -0.854499970     1.121650390 
H37 H    -0.103034060    -0.838282400     1.125212690 
H38 H    -0.085228690    -0.473355080     0.809409450 

#END
data_-160.460_gel26a_14_13389 
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 26.1156
_cell_length_b 10.1177
_cell_length_c 8.9508
_cell_angle_alpha 90.0
_cell_angle_beta 88.6171
_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     0.217098070     1.084899130     0.305782820 
C2 C     0.187657830     0.954935220     0.323794030 
C3 C     0.133394010     0.973593110     0.388846860 
C4 C     0.103615160     0.844162720     0.407315300 
C5 C     0.049377720     0.862767690     0.472429390 
C6 C     0.019690190     0.733189720     0.490936260 
C7 C    -0.034539600     0.751486810     0.556209430 
C8 C    -0.064076380     0.621696930     0.574870680 
C9 C    -0.118284760     0.639564740     0.640458890 
C10 C    -0.147603680     0.509483280     0.659462810 
C11 C    -0.201761860     0.526889760     0.725552550 
C12 C    -0.230803900     0.396454070     0.745180110 
C13 C    -0.284905120     0.413752990     0.811483810 
C14 C    -0.313150890     0.281997480     0.830369760 
C15 C    -0.405534240     0.320593780     0.804018010 
C16 C    -0.500215140     0.362642120     0.825350030 
C17 C    -0.540912040     0.380200080     0.928636360 
C18 C    -0.590178630     0.403462150     0.881630110 
C19 C    -0.600279620     0.410008510     0.729170310 
C20 C    -0.560023840     0.392876980     0.625885570 
C21 C    -0.510321560     0.369302060     0.673143150 
C22 C    -0.662062620     0.439604770     0.540213410 
N1 N    -0.364686140     0.295452020     0.893944860 
N2 N    -0.451277960     0.338912340     0.882732020 
O1 O    -0.401131240     0.324436850     0.667973600 
O2 O    -0.650103550     0.433284210     0.693693970 
H1 H     0.255694920     1.068700750     0.259390370 
H2 H     0.197384990     1.152530420     0.231025930 
H3 H     0.220745810     1.134944770     0.413391530 
H4 H     0.208849650     0.887848350     0.396023340 
H5 H     0.185550350     0.905456930     0.215130810 
H6 H     0.135454640     1.023111540     0.497626440 
H7 H     0.112150810     1.040738650     0.316626120 
H8 H     0.124900190     0.777067480     0.479465850 
H9 H     0.101568560     0.794723030     0.298508250 
H10 H     0.051409530     0.912237820     0.581222100 
H11 H     0.028061270     0.929769880     0.400262890 
H12 H     0.041051100     0.666186080     0.563000430 
H13 H     0.017649000     0.683759980     0.382125660 
H14 H    -0.032513040     0.801010350     0.664974630 
H15 H    -0.055954050     0.818311820     0.484089280 
H16 H    -0.042588680     0.554860820     0.646810520 
H17 H    -0.066134330     0.572245940     0.466080110 
H18 H    -0.116243560     0.689211960     0.749151180 
H19 H    -0.139857410     0.706089900     0.568409030 
H20 H    -0.125926870     0.442917000     0.731240970 
H21 H    -0.149721390     0.459958110     0.550741070 
H22 H    -0.199685500     0.576765470     0.834097610 
H23 H    -0.223588670     0.592854770     0.653582230 
H24 H    -0.208847000     0.330360560     0.816861570 
H25 H    -0.232990200     0.346787550     0.636589520 
H26 H    -0.283184840     0.463366020     0.920207300 
H27 H    -0.307409770     0.477278560     0.739016610 
H28 H    -0.291730320     0.215411890     0.902184690 
H29 H    -0.316493030     0.234224790     0.721739330 
H30 H    -0.369360370     0.294195280     1.005846690 
H31 H    -0.450328200     0.333629460     0.995030680 
H32 H    -0.533813360     0.375506670     1.047560680 
H33 H    -0.621588380     0.416909970     0.961350730 
H34 H    -0.566481600     0.397387710     0.507117850 
H35 H    -0.479312480     0.356195330     0.592804320 
H36 H    -0.703088840     0.458050850     0.536756270 
H37 H    -0.641515130     0.520327000     0.483270320 
H38 H    -0.653223270     0.346375330     0.482782510 

#END
data_-160.438_gel26a_14_14579 
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 5.5362
_cell_length_b 13.4585
_cell_length_c 34.0268
_cell_angle_alpha 90.0
_cell_angle_beta 116.566
_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     0.871529190     0.588041670     0.281370350 
C2 C     0.790429830     0.656754810     0.309281780 
C3 C     0.719796200     0.600582410     0.341883860 
C4 C     0.638383740     0.668649720     0.369968300 
C5 C     0.567600000     0.612518000     0.402545420 
C6 C     0.485988610     0.680732920     0.430563160 
C7 C     0.414763280     0.624788210     0.463132180 
C8 C     0.332681710     0.693208710     0.491026590 
C9 C     0.260671930     0.637514240     0.523564370 
C10 C     0.177710430     0.706200260     0.551264740 
C11 C     0.104557570     0.650761300     0.583727560 
C12 C     0.020158880     0.719739700     0.611156830 
C13 C    -0.053456760     0.664369270     0.643555160 
C14 C    -0.137733610     0.734851070     0.670539540 
C15 C    -0.015844750     0.659194430     0.742818660 
C16 C     0.026251140     0.571251900     0.810699110 
C17 C    -0.119706770     0.516875760     0.828120960 
C18 C     0.004033740     0.480619130     0.870638440 
C19 C     0.278869150     0.497656980     0.897137150 
C20 C     0.425313240     0.551482890     0.880030540 
C21 C     0.300708770     0.588163190     0.837163810 
C22 C     0.660509630     0.475283480     0.966711190 
N1 N    -0.210154490     0.684105960     0.701523100 
N2 N    -0.115589050     0.605770700     0.767163200 
O1 O     0.220233090     0.683599730     0.756239180 
O2 O     0.382889820     0.458991730     0.938639650 
H1 H     0.920458750     0.630025710     0.258364740 
H2 H     1.048734950     0.543596140     0.302033090 
H3 H     0.708084210     0.536490270     0.262205420 
H4 H     0.617010010     0.702144750     0.287764540 
H5 H     0.955071950     0.709005830     0.327359030 
H6 H     0.555000840     0.548255580     0.323825830 
H7 H     0.893262730     0.555120690     0.363436230 
H8 H     0.465040170     0.714113980     0.348389580 
H9 H     0.803259350     0.720935680     0.388014420 
H10 H     0.402774130     0.560205110     0.384510740 
H11 H     0.740941970     0.567102080     0.424155710 
H12 H     0.312797030     0.726194190     0.408931500 
H13 H     0.650872290     0.733015850     0.448604990 
H14 H     0.250016240     0.572440580     0.445101910 
H15 H     0.587991800     0.579428280     0.484822380 
H16 H     0.159716820     0.738651440     0.469303150 
H17 H     0.497529650     0.745492820     0.509080050 
H18 H     0.096107220     0.585103450     0.505524820 
H19 H     0.433718030     0.592254980     0.545384940 
H20 H     0.005052690     0.751597390     0.529400270 
H21 H     0.342436220     0.758487980     0.569359910 
H22 H    -0.059653390     0.598240790     0.565666220 
H23 H     0.277327880     0.605723560     0.605766290 
H24 H    -0.152254390     0.764993460     0.589061410 
H25 H     0.184624450     0.772060750     0.629296570 
H26 H    -0.217899170     0.611788980     0.625761020 
H27 H     0.119320150     0.620698380     0.666318860 
H28 H    -0.310310180     0.780105270     0.648869060 
H29 H     0.028486330     0.785205700     0.689466120 
H30 H    -0.402709750     0.662111110     0.691185870 
H31 H    -0.314335310     0.589748620     0.752673510 
H32 H    -0.333401070     0.502846780     0.808028730 
H33 H    -0.108677790     0.438721850     0.884089950 
H34 H     0.638251820     0.565983100     0.899619710 
H35 H     0.414916200     0.629703850     0.824078880 
H36 H     0.700969420     0.439306520     0.997701810 
H37 H     0.789136780     0.442155510     0.953361320 
H38 H     0.706612720     0.554716110     0.972453670 

#END
data_-160.313_gel26a_15_27008 
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 50.2544
_cell_length_b 9.3871
_cell_length_c 9.976
_cell_angle_alpha 90.0
_cell_angle_beta 102.9847
_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     0.356456770     0.428820490    -0.125538740 
C2 C     0.372623920     0.554321080    -0.050045800 
C3 C     0.398436350     0.508343670     0.054123570 
C4 C     0.414758140     0.633109450     0.130209890 
C5 C     0.440555050     0.587182180     0.234414860 
C6 C     0.456829170     0.712118220     0.310474130 
C7 C     0.482619520     0.666484790     0.414873980 
C8 C     0.498811230     0.791650750     0.490955410 
C9 C     0.524583340     0.746411390     0.595692150 
C10 C     0.540651350     0.871870740     0.671899800 
C11 C     0.566383560     0.827029680     0.777103910 
C12 C     0.582287230     0.952807760     0.853621830 
C13 C     0.607982820     0.908051860     0.958967940 
C14 C     0.623511170     1.035560770     1.034378360 
C15 C     0.672470010     0.977054180     1.098115990 
C16 C     0.720825560     0.904978020     1.202336730 
C17 C     0.738123350     0.856045100     1.324137320 
C18 C     0.765426090     0.828507210     1.330576150 
C19 C     0.776304560     0.849059940     1.214809500 
C20 C     0.759233180     0.897434300     1.093360130 
C21 C     0.731696250     0.925360470     1.086755400 
C22 C     0.815363540     0.839626690     1.116584070 
N1 N     0.648005450     0.996020050     1.135782300 
N2 N     0.693315450     0.930885460     1.204820520 
O1 O     0.675169960     1.000856630     0.981579480 
O2 O     0.803471280     0.819102380     1.231232930 
H1 H     0.338133170     0.464620130    -0.199040230 
H2 H     0.368824130     0.367573150    -0.182443220 
H3 H     0.350008890     0.356057610    -0.053186170 
H4 H     0.359569720     0.615864480     0.003154630 
H5 H     0.378297810     0.627081930    -0.124967390 
H6 H     0.392782250     0.435506070     0.129178580 
H7 H     0.411516510     0.446724110     0.000968760 
H8 H     0.401658120     0.694700490     0.183252750 
H9 H     0.420405050     0.705873320     0.055099510 
H10 H     0.434916080     0.514385460     0.309521450 
H11 H     0.453673130     0.525684060     0.181413060 
H12 H     0.443691610     0.773649120     0.363347260 
H13 H     0.462473280     0.784873700     0.235352990 
H14 H     0.476983740     0.593636110     0.489950830 
H15 H     0.495789140     0.605138970     0.362052010 
H16 H     0.485610040     0.853062020     0.543557880 
H17 H     0.504463610     0.864420380     0.415872760 
H18 H     0.518941240     0.673450880     0.670665270 
H19 H     0.537836490     0.685326840     0.543160060 
H20 H     0.527354160     0.933077960     0.724113250 
H21 H     0.546333290     0.944689730     0.596951950 
H22 H     0.560726030     0.753867070     0.851866880 
H23 H     0.579773010     0.766453750     0.725028800 
H24 H     0.568841750     1.013607960     0.905358460 
H25 H     0.588001770     1.025732160     0.778884580 
H26 H     0.602508080     0.835040610     1.034302500 
H27 H     0.621772320     0.849964240     0.907755730 
H28 H     0.610347070     1.096716780     1.086888180 
H29 H     0.629812180     1.106215160     0.960342000 
H30 H     0.646315410     0.974178620     1.232263590 
H31 H     0.688707970     0.914602810     1.296831500 
H32 H     0.730042150     0.839383940     1.415139380 
H33 H     0.778777430     0.790848520     1.424609610 
H34 H     0.766974770     0.914417180     1.001874340 
H35 H     0.718574060     0.962682100     0.992545700 
H36 H     0.836785350     0.810653620     1.151315930 
H37 H     0.805834910     0.771234870     1.030007050 
H38 H     0.813876360     0.950991760     1.082664860 

#END
data_-160.282_gel26a_19_22310 
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 6.9393
_cell_length_b 5.1568
_cell_length_c 63.7076
_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     1.099424320     0.904034150     0.873072250 
C2 C     1.175596450     0.802677190     0.894059070 
C3 C     1.099586640     0.955079880     0.912942490 
C4 C     1.174934760     0.855221680     0.934015160 
C5 C     1.099071780     1.007628230     0.952895380 
C6 C     1.174765900     0.907584680     0.973949490 
C7 C     1.099322650     1.059852750     0.992855930 
C8 C     1.175626100     0.959664960     1.013879300 
C9 C     1.100858660     1.111860360     1.032821090 
C10 C     1.178118020     1.011645780     1.053802030 
C11 C     1.104251730     1.163967100     1.072776800 
C12 C     1.182850700     1.063996710     1.093707520 
C13 C     1.109355990     1.216446760     1.112677020 
C14 C     1.190201500     1.113337530     1.133419940 
C15 C     0.952442750     1.191505490     1.161375470 
C16 C     0.742416260     1.341142210     1.191112800 
C17 C     0.722639940     1.534687770     1.206439630 
C18 C     0.568839220     1.533984760     1.220257080 
C19 C     0.429398200     1.338876620     1.219148840 
C20 C     0.447908910     1.146156950     1.203939520 
C21 C     0.603047070     1.146516960     1.190004080 
C22 C     0.139406890     1.159158260     1.232984490 
N1 N     1.123314160     1.255672810     1.151742600 
N2 N     0.903721230     1.355872640     1.177721930 
O1 O     0.856342930     1.004898860     1.155936510 
O2 O     0.283063150     1.354517100     1.233463390 
H1 H     1.156120450     0.792117500     0.859871660 
H2 H     0.942024600     0.893281730     0.872449170 
H3 H     1.140140430     1.106913510     0.870679580 
H4 H     1.333526890     0.809439410     0.894063280 
H5 H     1.136607030     0.597818810     0.895849090 
H6 H     1.138532880     1.160180350     0.911168450 
H7 H     0.941506670     0.948435720     0.912951460 
H8 H     1.332998260     0.861794680     0.933985920 
H9 H     1.135922550     0.650162670     0.935777350 
H10 H     1.138015840     1.212713550     0.951135450 
H11 H     0.941020940     1.000950750     0.952942430 
H12 H     1.332829670     0.914085490     0.973884560 
H13 H     1.135752450     0.702528050     0.975708940 
H14 H     1.138186240     1.264965190     0.991092800 
H15 H     0.941277730     1.053111240     0.992952050 
H16 H     1.333691730     0.966089290     1.013754100 
H17 H     1.136614250     0.754624420     1.015646730 
H18 H     1.139581880     1.317002500     1.031041100 
H19 H     0.942832740     1.104993380     1.032997410 
H20 H     1.336185530     1.018011610     1.053585980 
H21 H     1.139108440     0.806660870     1.055597760 
H22 H     1.142722290     1.369140710     1.070962550 
H23 H     0.946304450     1.156762880     1.073087360 
H24 H     1.340959220     1.070556470     1.093354860 
H25 H     1.143934840     0.859083300     1.095541610 
H26 H     1.147501070     1.421837320     1.111010860 
H27 H     0.951970220     1.206283790     1.113402320 
H28 H     1.347808800     1.119927180     1.133294460 
H29 H     1.147214550     0.911415450     1.135498680 
H30 H     1.198512470     1.412143700     1.156425750 
H31 H     0.994054260     1.504002300     1.180805190 
H32 H     0.829485290     1.687946220     1.207539240 
H33 H     0.553675390     1.683250710     1.232094670 
H34 H     0.342614390     0.992417350     1.202638470 
H35 H     0.616643310     0.997093590     1.178260440 
H36 H     0.038741180     1.206738000     1.245514080 
H37 H     0.062516580     1.157277500     1.217955060 
H38 H     0.200814330     0.966592030     1.235874410 

#END
data_-160.128_gel26a_14_6179 
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 13.1589
_cell_length_b 5.3341
_cell_length_c 51.8737
_cell_angle_alpha 90.0
_cell_angle_beta 141.2237
_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     0.135023060     1.157985660    -0.106834970 
C2 C     0.223807570     1.339975720    -0.071373730 
C3 C     0.151152480     1.349542480    -0.058602520 
C4 C     0.239102030     1.531065640    -0.023146520 
C5 C     0.166442720     1.540792580    -0.010387530 
C6 C     0.254489360     1.722626980     0.025045980 
C7 C     0.181952720     1.732967180     0.037834030 
C8 C     0.270060030     1.915372300     0.073210690 
C9 C     0.197619780     1.926678700     0.086019910 
C10 C     0.285705920     2.110021250     0.121293540 
C11 C     0.213239520     2.122565930     0.134087640 
C12 C     0.301132890     2.307286580     0.169198700 
C13 C     0.228585680     2.320258730     0.181952740 
C14 C     0.318225210     2.506540130     0.217037430 
C15 C     0.300104800     2.360550790     0.258365910 
C16 C     0.240316160     2.261286730     0.292910570 
C17 C     0.138741580     2.324176470     0.293542200 
C18 C     0.153607740     2.205867160     0.320097720 
C19 C     0.270985840     2.020037410     0.346932330 
C20 C     0.372173220     1.956253670     0.346433880 
C21 C     0.357396160     2.075576070     0.319688340 
C22 C     0.394674120     1.726263900     0.399925980 
N1 N     0.251246490     2.523592490     0.229682450 
N2 N     0.217391580     2.391584580     0.265022260 
O1 O     0.407638560     2.206620410     0.276224300 
O2 O     0.276445790     1.914174140     0.372000210 
H1 H     0.189186110     1.155142420    -0.115359090 
H2 H     0.138783030     0.966703820    -0.098486320 
H3 H     0.007311770     1.210282430    -0.134208420 
H4 H     0.221781180     1.528682600    -0.080150320 
H5 H     0.352044940     1.286754420    -0.044686070 
H6 H     0.022784000     1.402805450    -0.085292750 
H7 H     0.153119640     1.160728210    -0.049813370 
H8 H     0.237154410     1.719759680    -0.031954430 
H9 H     0.367429820     1.477671380     0.003526580 
H10 H     0.038100460     1.594118230    -0.037056960 
H11 H     0.168476410     1.352189690    -0.001544860 
H12 H     0.252543670     1.911148050     0.016197740 
H13 H     0.382812380     1.669218510     0.051715170 
H14 H     0.053588770     1.786183900     0.011161430 
H15 H     0.184084750     1.544597460     0.046749560 
H16 H     0.268089570     2.103606370     0.064289370 
H17 H     0.398382670     1.862004510     0.099888830 
H18 H     0.069215390     1.979651030     0.059328480 
H19 H     0.199925530     1.738699660     0.095056340 
H20 H     0.283662990     2.297825790     0.112255900 
H21 H     0.414028050     2.056793430     0.148003700 
H22 H     0.084771280     2.175078340     0.107359430 
H23 H     0.215915330     1.935287160     0.143337870 
H24 H     0.298807280     2.494511620     0.159953550 
H25 H     0.429457970     2.254356180     0.195948050 
H26 H     0.100156000     2.373096140     0.155417330 
H27 H     0.233593970     2.135381010     0.192055820 
H28 H     0.316145980     2.694238960     0.208121090 
H29 H     0.444938480     2.450131460     0.243998880 
H30 H     0.161152050     2.646827610     0.215147630 
H31 H     0.130745650     2.524708470     0.248465130 
H32 H     0.046777890     2.468023560     0.272909430 
H33 H     0.075293360     2.254554960     0.320603630 
H34 H     0.464214520     1.813271090     0.366768190 
H35 H     0.435898870     2.025450710     0.319406180 
H36 H     0.378878450     1.668788530     0.416784070 
H37 H     0.376817420     1.563794110     0.383770110 
H38 H     0.517994540     1.798758750     0.421645140 

#END
data_-160.124_gel26a_2_8252 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 9.858
_cell_length_b 23.4505
_cell_length_c 12.1638
_cell_angle_alpha 93.745
_cell_angle_beta 156.2723
_cell_angle_gamma 84.6953
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C     2.007087830     1.231068520     0.925616750 
C2 C     1.649294090     1.214369750     0.681727900 
C3 C     1.613208160     1.150153090     0.632739680 
C4 C     1.256196350     1.132999600     0.389192360 
C5 C     1.219975300     1.068811670     0.340055540 
C6 C     0.862666520     1.051767820     0.096238150 
C7 C     0.825615610     0.987611350     0.046416050 
C8 C     0.467851750     0.970737150    -0.197890400 
C9 C     0.429609550     0.906628010    -0.248764750 
C10 C     0.071167400     0.889987290    -0.493880270 
C11 C     0.031593120     0.825943850    -0.546052820 
C12 C    -0.327760190     0.809582260    -0.792368900 
C13 C    -0.367648470     0.745593250    -0.844937770 
C14 C    -0.729160450     0.730281030    -1.092520860 
C15 C    -0.708463890     0.631531810    -1.018835770 
C16 C    -0.704090580     0.526012510    -0.990458540 
C17 C    -0.748270030     0.472897260    -1.079074810 
C18 C    -0.714926800     0.422654780    -1.000278290 
C19 C    -0.635736890     0.424010390    -0.829465890 
C20 C    -0.590920430     0.476614680    -0.740225760 
C21 C    -0.624745250     0.527327910    -0.819724780 
C22 C    -0.531011310     0.371756740    -0.591876640 
N1 N    -0.774833130     0.669652990    -1.148125390 
N2 N    -0.743838800     0.575105040    -1.081128760 
O1 O    -0.630065520     0.646970280    -0.866984300 
O2 O    -0.608372850     0.372226960    -0.763006440 
H1 H     2.025573430     1.277103830     0.955665620 
H2 H     2.191287260     1.208659310     1.114674740 
H3 H     2.083095860     1.219962160     0.896293150 
H4 H     1.469040970     1.238466110     0.496577660 
H5 H     1.576646290     1.227102260     0.713446330 
H6 H     1.685855590     1.137357260     0.600955460 
H7 H     1.793553760     1.125995450     0.817968830 
H8 H     1.076048060     1.157200700     0.204131070 
H9 H     1.183769960     1.145802950     0.421141130 
H10 H     1.292469820     1.055990460     0.308170140 
H11 H     1.399871360     1.044590230     0.524970690 
H12 H     0.682857580     1.076044300    -0.088561520 
H13 H     0.790271530     1.064575910     0.128208540 
H14 H     0.898250340     0.974780600     0.014648610 
H15 H     1.004958860     0.963305010     0.230963520 
H16 H     0.288636070     0.995136190    -0.382249820 
H17 H     0.395378870     0.983528630    -0.165980490 
H18 H     0.502598690     0.893803840    -0.280243640 
H19 H     0.608028330     0.882186610    -0.064829270 
H20 H    -0.107125360     0.914564800    -0.677574700 
H21 H    -0.001578160     0.902719580    -0.462180680 
H22 H     0.105250590     0.813141310    -0.576983680 
H23 H     0.208348600     0.801297590    -0.363197070 
H24 H    -0.504573100     0.834403500    -0.975107030 
H25 H    -0.400982530     0.822248990    -0.761060670 
H26 H    -0.295062000     0.732435900    -0.876574130 
H27 H    -0.197329870     0.720572350    -0.665799240 
H28 H    -0.907760590     0.754590580    -1.276340170 
H29 H    -0.798772480     0.741519930    -1.058224950 
H30 H    -0.835603920     0.655629520    -1.270044590 
H31 H    -0.809441170     0.567393340    -1.209071910 
H32 H    -0.809757200     0.470976720    -1.211782490 
H33 H    -0.749282130     0.381672520    -1.068850750 
H34 H    -0.529353910     0.479212340    -0.607858270 
H35 H    -0.589630820     0.567903040    -0.750005420 
H36 H    -0.522513900     0.327062590    -0.565713040 
H37 H    -0.284871880     0.388289470    -0.391333580 
H38 H    -0.725891620     0.396864330    -0.685886400 

#END
data_-160.051_gel26a_14_22457 
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 39.0697
_cell_length_b 8.9981
_cell_length_c 73.3472
_cell_angle_alpha 90.0
_cell_angle_beta 174.2435
_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     1.125176100     0.708634710     0.921009570 
C2 C     1.098223250     0.615171840     0.889362530 
C3 C     1.086405880     0.709063190     0.865708050 
C4 C     1.059440130     0.616616120     0.833969260 
C5 C     1.047829160     0.710436910     0.810426240 
C6 C     1.021208070     0.617745580     0.778886360 
C7 C     1.009987840     0.711281020     0.755527410 
C8 C     0.984123750     0.618237120     0.724413880 
C9 C     0.973673820     0.711381730     0.701430560 
C10 C     0.949153970     0.617867750     0.671061960 
C11 C     0.939948730     0.710595060     0.648704770 
C12 C     0.917531810     0.616538930     0.619485510 
C13 C     0.908943590     0.709137540     0.597456960 
C14 C     0.887267320     0.612696050     0.568812660 
C15 C     0.577512590     0.751097110     0.380908040 
C16 C     0.361617360     0.905428980     0.240389090 
C17 C     0.467171850     0.990684950     0.281341220 
C18 C     0.232251920     1.060379890     0.145651930 
C19 C    -0.117025570     1.046959100    -0.035967250 
C20 C    -0.223818050     0.962633700    -0.077679020 
C21 C     0.012845200     0.892180780     0.059033070 
C22 C    -0.685590060     1.107936750    -0.346131360 
N1 N     0.880305780     0.697948680     0.548272660 
N2 N     0.617559920     0.837781230     0.386682060 
O1 O     0.302354580     0.721857580     0.242016450 
O2 O    -0.329162120     1.119682690    -0.160202980 
H1 H     1.133657080     0.638883450     0.937699410 
H2 H     0.906692760     0.783601310     0.806551110 
H3 H     1.356092050     0.777023660     1.043264170 
H4 H     1.315319020     0.538549190     1.003654270 
H5 H     0.869187120     0.545384170     0.768633820 
H6 H     1.315555920     0.778968510     0.986481200 
H7 H     0.869182600     0.785805000     0.751336900 
H8 H     1.276622970     0.539862820     0.948337160 
H9 H     0.830261250     0.546768330     0.713190880 
H10 H     1.276934380     0.780329170     0.931163660 
H11 H     0.830538270     0.787129110     0.695986740 
H12 H     1.238403780     0.540980240     0.893292450 
H13 H     0.792035200     0.547900920     0.658113510 
H14 H     1.239014880     0.781227240     0.876226240 
H15 H     0.792549640     0.787916090     0.640968300 
H16 H     1.201381450     0.541470370     0.838905350 
H17 H     0.754950160     0.548394300     0.603633630 
H18 H     1.202572820     0.781420590     0.822076340 
H19 H     0.755989790     0.787909740     0.586673430 
H20 H     1.166551910     0.541123850     0.785706370 
H21 H     0.719972150     0.548032490     0.550252480 
H22 H     1.168606730     0.780793240     0.769253060 
H23 H     0.721808360     0.786865340     0.533593450 
H24 H     1.135429980     0.539931910     0.734510300 
H25 H     0.688456840     0.546666650     0.498698590 
H26 H     1.137044230     0.779513370     0.717581920 
H27 H     0.688199440     0.783623470     0.480636150 
H28 H     1.104051880     0.536231670     0.683054010 
H29 H     0.654767740     0.546033660     0.445988970 
H30 H     1.103571350     0.725110650     0.660700910 
H31 H     0.857328430     0.854582990     0.509246690 
H32 H     0.737463620     1.002456270     0.421663350 
H33 H     0.313739810     1.126077250     0.177263380 
H34 H    -0.492025760     0.949982350    -0.216725660 
H35 H    -0.071067510     0.827154220     0.026064250 
H36 H    -0.805923990     1.172414650    -0.420696250 
H37 H    -0.759135260     1.153966190    -0.371841600 
H38 H    -0.772121460     0.992298830    -0.392842950 

#END
data_-160.051_gel26a_14_27523 
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 39.0697
_cell_length_b 8.9981
_cell_length_c 8.9871
_cell_angle_alpha 90.0
_cell_angle_beta 54.9444
_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    -0.283156940     0.791365360     3.078990660 
C2 C    -0.319498180     0.884828290     3.110637650 
C3 C    -0.354989770     0.790936890     3.134292120 
C4 C    -0.391501610     0.883384010     3.166030870 
C5 C    -0.426976690     0.789563160     3.189573870 
C6 C    -0.463435360     0.882254550     3.221113710 
C7 C    -0.498933020     0.788719050     3.244472640 
C8 C    -0.535296000     0.881763000     3.275586120 
C9 C    -0.570812710     0.788618350     3.298569430 
C10 C    -0.607030060     0.882132390     3.328937990 
C11 C    -0.642539210     0.789405020     3.351295170 
C12 C    -0.678560800     0.883461190     3.380514370 
C13 C    -0.714029690     0.790862530     3.402542910 
C14 C    -0.749642020     0.887304080     3.431187170 
C15 C    -0.815696530     0.748902980     3.619091810 
C16 C    -0.880839200     0.594571050     3.759610780 
C17 C    -0.904489440     0.509315010     3.718658620 
C18 C    -0.940948100     0.439620050     3.854347950 
C19 C    -0.954908950     0.453040880     4.035967180 
C20 C    -0.931540000     0.537366340     4.077678970 
C21 C    -0.894779080     0.607819280     3.940966850 
C22 C    -1.006672660     0.392063260     4.346131360 
N1 N    -0.783760490     0.802051400     3.451727150 
N2 N    -0.844195820     0.662218800     3.613317770 
O1 O    -0.818321700     0.778142550     3.757983450 
O2 O    -0.991243860     0.380317280     4.160202930 
H1 H    -0.258258250     0.861116670     3.062300830 
H2 H    -0.293590510     0.716398740     3.193449170 
H3 H    -0.269563700     0.722976350     2.956736040 
H4 H    -0.308010470     0.961450960     2.996345870 
H5 H    -0.331919450     0.954616020     3.231366380 
H6 H    -0.342593530     0.721031500     3.013518960 
H7 H    -0.366508800     0.714195050     3.248663320 
H8 H    -0.379948650     0.960137330     3.051662920 
H9 H    -0.403879460     0.953231870     3.286809260 
H10 H    -0.414607060     0.719670840     3.068836430 
H11 H    -0.438564780     0.712870940     3.304013420 
H12 H    -0.451818880     0.959019910     3.106707560 
H13 H    -0.475808170     0.952099270     3.341886570 
H14 H    -0.486562420     0.718772770     3.123773800 
H15 H    -0.510613040     0.712083970     3.359031800 
H16 H    -0.523570760     0.958529780     3.161094610 
H17 H    -0.547682900     0.951605900     3.396366400 
H18 H    -0.558420160     0.718579430     3.177923640 
H19 H    -0.582642950     0.712090320     3.413326620 
H20 H    -0.595139190     0.958876300     3.214293530 
H21 H    -0.619467200     0.951967700     3.449747490 
H22 H    -0.630100650     0.719206770     3.230746860 
H23 H    -0.654621480     0.713134720     3.466406540 
H24 H    -0.666409410     0.960068240     3.265489540 
H25 H    -0.691059670     0.953333530     3.501301310 
H26 H    -0.701880410     0.720486640     3.282417930 
H27 H    -0.726927160     0.716376590     3.519363770 
H28 H    -0.737943900     0.963768480     3.316945770 
H29 H    -0.762789810     0.953966520     3.554010880 
H30 H    -0.782169560     0.774889400     3.339298870 
H31 H    -0.838835090     0.645417000     3.490753110 
H32 H    -0.894136970     0.497543660     3.578336450 
H33 H    -0.959213090     0.373922650     3.822736470 
H34 H    -0.941425560     0.550017730     4.216725650 
H35 H    -0.876804000     0.672845880     3.973935690 
H36 H    -1.035468510     0.327585340     4.420696260 
H37 H    -0.984547940     0.346033820     4.371841640 
H38 H    -1.013564430     0.507701250     4.392842930 

#END