017
G10_00184 
C    -2.80810343     1.01834605     0.00077217    
C    -1.57141019     0.19212616     0.00001683    
N    -1.53065511    -1.10063696    -0.00056178    
O    -2.77987454    -1.68075831    -0.00029667    
C    -0.25968373     0.94201544    -0.00020430    
O    -0.28575612     2.15162753    -0.00057304    
C     1.00163836     0.22568580    -0.00000805    
C     1.31677326    -1.11433784     0.00034754    
O     2.67213707    -1.26593901     0.00038820    
N     3.25551224    -0.00678334     0.00003935    
C     2.29453239     0.89850224    -0.00020729    
H    -3.43002259     0.80600824     0.88583232    
H    -2.59971647     2.10197465     0.00027292    
H    -3.43150319     0.80546835    -0.88313460    
H    -2.56628024    -2.66558004    -0.00093654    
H     0.74821650    -2.02541390     0.00060808    
H     2.44987141     1.96985775    -0.00048208    
016
G10_00195 
C     3.56664600    -0.90098459    -0.14589293    
C     2.45004878    -0.04251479     0.08144211    
C     1.49684702     0.68070510     0.27738305    
C     0.37732549     1.52150482     0.50156640    
N    -0.48348623     1.82590290    -0.66754032    
C    -1.05370718     0.98154372     0.39480531    
C    -1.31141411    -0.46427760     0.00607919    
F    -0.52737884    -0.97978832    -0.93203558    
F    -1.18799367    -1.29469010     1.04405551    
F    -2.55270831    -0.66978183    -0.43669765    
H     4.25423357    -0.49070363    -0.91002410    
H     4.16147020    -1.06565681     0.77164176    
H     3.24706487    -1.89874550    -0.50717040    
H     0.56392339     2.31190842     1.25638351    
H    -0.84638771     2.76817769    -0.74669695    
H    -1.82122409     1.37175525     1.08208429    
015
G10_00197 
N     4.53629157    -0.66077964     0.88858441    
C     3.52386798    -0.24518969     0.50354603    
C     2.32881390     0.24506660     0.05066468    
C     1.26787147     0.67978123    -0.35166701    
C     0.01974211     1.19333078    -0.82606276    
C    -1.13602250     0.40125087    -0.33467646    
C    -1.29928966    -0.30704871     0.85811865    
N    -2.58213223    -0.85131168     0.81123360    
C    -3.15651343    -0.45789621    -0.39973754    
N    -2.29427949     0.29649340    -1.09717557    
H    -0.11236717     2.27079702    -0.53071181    
H     0.00198610     1.21838461    -1.95419164    
H    -0.63231255    -0.45473211     1.68124163    
H    -2.99372502    -1.41946219     1.51642698    
H    -4.15022480    -0.73277028    -0.70893751    
015
G10_00481 
N     4.47815348    -0.82752130     0.56704134    
C     3.45845701    -0.34764607     0.29477114    
C     2.25250859     0.21992447    -0.02802269    
C     1.18689865     0.72448803    -0.31554090    
C    -0.08214639     1.31899677    -0.65650739    
N    -1.19154408     0.46377885    -0.26206455    
C    -1.71780386    -0.58108350    -1.02421156    
C    -2.70521188    -1.16579286    -0.23296684    
N    -2.77322582    -0.50647796     0.98759810    
C    -1.85226506     0.46552393     0.97116948    
H    -0.19299631     2.32653778    -0.16268626    
H    -0.13851107     1.52038116    -1.76496707    
H    -1.37701555    -0.81453025    -2.00921073    
H    -3.35636871    -1.99156018    -0.44735821    
H    -1.64201335     1.15962855     1.76478527    
014
G10_00535 
C    -4.78171932    -0.02695517    -0.00009469    
C    -3.56733852    -0.02196928    -0.00001853    
C    -2.20876989    -0.02198547     0.00007102    
C    -0.99171550    -0.01556523     0.00010596    
C     0.41506438    -0.00791712     0.00008529    
N     1.06412380    -1.19771994     0.00007638    
C     2.40516033    -1.17944600    -0.00001966    
C     3.12255724     0.03629911    -0.00010539    
N     2.48175318     1.21779652    -0.00004623    
C     1.13909861     1.21188168     0.00004854    
H    -5.81178795    -0.03061812    -0.00018483    
H     2.90625982    -2.15360085    -0.00002626    
H     4.21632537     0.07023122    -0.00020839    
H     0.63681374     2.18494242     0.00011085    
014
G10_00553 
C     2.19241201     2.20554083    -0.49132101    
C     1.61944600     1.16137910    -0.26407123    
C     0.95505978    -0.03287341    -0.01130170    
C    -0.28819177    -0.35917432     0.49080571    
C    -1.37146754     0.53601986     0.94434215    
C    -2.19777675     0.94208486    -0.17419997    
N    -2.85362738     1.26649581    -1.06899737    
C    -0.32022333    -1.80775743     0.46789225    
N     0.82935830    -2.26150094    -0.01052262    
O     1.64038603    -1.20307077    -0.31746913    
H     2.67840302     3.09649267    -0.68499005    
H    -1.99870164     0.03764899     1.72979365    
H    -0.94637145     1.44095924     1.45664072    
H    -1.13510401    -2.44308069     0.77954021    
021
G10_00601 
N     0.15049246     2.60875288    -0.00106984    
C     0.33345749     1.46693748    -0.00059599    
C     0.59116806     0.04523062     0.00001447    
C     1.62792511    -0.37368282    -1.09952446    
C     2.63307033    -0.79535002     0.00023166    
C     1.62810163    -0.37270375     1.09977002    
C    -0.66813610    -0.79002729     0.00046630    
C    -1.75688126    -0.41924367     1.04683860    
O    -2.72288432    -0.13451974    -0.00003926    
C    -1.75675798    -0.42047607    -1.04646786    
H     1.28904263    -1.18450140    -1.74891336    
H     1.96822462     0.44764668    -1.73719840    
H     2.88646702    -1.85902576     0.00068301    
H     3.56903513    -0.22887087    -0.00010232    
H     1.96849491     0.44919464     1.73665353    
H     1.28933107    -1.18294356     1.74993587    
H    -0.41316300    -1.86515293     0.00111929    
H    -2.12553432    -1.23804443     1.66914076    
H    -1.57912188     0.48551794     1.63507020    
H    -1.57891783     0.48358669    -1.63573870    
H    -2.12533908    -1.24001172    -1.66785282    
016
G10_00629 
C     3.30489995    -0.08597354    -0.00049953    
C     2.07351524     0.81258551     0.00052481    
C     0.78148106     0.05788605     0.00025666    
N     0.75540057    -1.23702885     0.00023546    
O    -0.38727288    -1.94772046     0.00002495    
N    -1.59359529    -1.35230480    -0.00008630    
C    -1.66340511    -0.05791332    -0.00006708    
F    -2.86434554     0.48790478    -0.00012102    
C    -0.48934695     0.85220706     0.00001995    
N    -0.45720350     2.12587356    -0.00011641    
H     3.32828225    -0.74206811     0.87991612    
H     3.32809504    -0.74025436    -0.88226585    
H     4.22745778     0.50503567     0.00002006    
H     2.09285791     1.49533204     0.88311214    
H     2.09239650     1.49670442    -0.88103098    
H    -1.29489637     2.68610397    -0.00029938    
015
G10_00959 
C    -3.51720715    -0.95028806     0.02085028    
C    -2.40983831    -0.06828043    -0.14998148    
C    -1.46234265     0.67451381    -0.29628562    
C    -0.35443758     1.54067369    -0.45558349    
O     0.45331958     1.77917501     0.71283946    
C     1.05396807     1.03272585    -0.33468689    
C     1.30074325    -0.42443978     0.01576904    
F     0.68286651    -0.82840094     1.12051213    
F     0.91048481    -1.27112849    -0.93638349    
F     2.58569825    -0.71518418     0.21593670    
H    -4.23246141    -0.57659739     0.77905816    
H    -4.08641937    -1.09338956    -0.91716064    
H    -3.19309524    -1.95587482     0.35638502    
H    -0.53724595     2.44960553    -1.05635894    
H     1.87851691     1.52901532    -0.86230870    
015
G10_01053 
C    -2.20346016     2.09950383    -0.25053506    
C    -1.65549630     1.10241095     0.16026485    
C    -0.99311777    -0.08064314     0.65356198    
C    -1.55649920    -1.27664556     0.03474869    
N    -2.00062001    -2.22704073    -0.44852538    
C     0.46900228    -0.01654578     0.38879175    
C     1.58958846    -0.03801013     1.17481763    
C     2.71171631     0.06128581     0.27642022    
C     2.18979177     0.13504610    -0.98678495    
O     0.81238260     0.09151556    -0.94857838    
H    -2.67133499     2.94864044    -0.60123193    
H    -1.15045018    -0.14995673     1.78441125    
H     1.65795846    -0.11244878     2.23986496    
H     3.73937365     0.07124753     0.57360200    
H     2.58140801     0.21536267    -1.97489059    
015
G10_01165 
C     2.50907969     1.83637333    -0.40065685    
C     1.81724892     0.85995061    -0.22028208    
C     0.99562282    -0.28039335    -0.00479040    
C     1.50432351    -1.66053747    -0.30600960    
O     1.42104265    -1.18074108     1.03487077    
C    -0.45764755    -0.01996090    -0.02064607    
N    -1.38538136    -0.84872586    -0.57233722    
N    -2.57969775    -0.24174317    -0.35604849    
C    -2.37588975     0.95839507     0.32643830    
N    -1.05855154     1.10666408     0.53807089    
H     3.09505707     2.66949517    -0.55227351    
H     0.80956337    -2.46056504    -0.56168802    
H     2.51260198    -1.80288638    -0.68966606    
H    -3.41461735    -0.68652990    -0.68283594    
H    -3.15676275     1.63736937     0.62556573    
013
G10_01205 
N    -1.23819684     1.98593355     0.54252567    
C    -1.23011437     0.68410357     0.15116556    
C    -0.16690817    -0.17417408    -0.06968350    
O    -0.65706191    -1.44324912    -0.39689623    
N    -2.00705701    -1.38013996    -0.38623837    
C    -2.41118964    -0.16055477    -0.07264826    
C     1.29070756    -0.04372554    -0.03445857    
F     1.78222111     0.28116696     1.16328572    
F     1.93418031    -1.15560433    -0.38347321    
F     1.76858183     0.90455502    -0.84484389    
H    -2.08706204     2.50923423     0.53620116    
H    -0.38372929     2.50407786     0.58844786    
H    -3.44157898     0.13915983     0.00516712    
016
G10_01217 
C     2.36358152    -1.11083709     0.89842436    
C     1.80188605    -0.63008074    -0.39218863    
O     2.09817252    -1.04557948    -1.47562180    
C     0.74646429     0.46354686    -0.26589064    
N     1.15358023     1.67349467    -0.46262618    
O     0.15408232     2.61476526    -0.35929286    
C    -0.59771174     0.03533688     0.03485813    
C    -1.81188511     0.68910158    -0.07056129    
O    -2.78962837    -0.16813425     0.34437011    
N    -2.14792983    -1.35976287     0.71147487    
N    -0.90951561    -1.25824471     0.54048522    
H     3.21219492    -1.79549678     0.74030344    
H     2.71191507    -0.28434952     1.53437598    
H     1.60165649    -1.66781001     1.47380743    
H     0.64739209     3.47853783    -0.53261709    
H    -2.12979635     1.66019232    -0.38988684    
020
G10_01487 
C    -0.80761480     2.39471226     0.33563066    
C    -0.89922499     1.19704626     0.18047034    
C    -1.01181175    -0.20373124    -0.00098596    
C    -2.15401492    -0.94435176     0.68914885    
C    -2.19329638    -0.74828066    -0.79909655    
C     0.31507829    -0.94796029    -0.13397412    
O     1.04456510    -0.46385279    -1.24238116    
C     2.04806182     0.43223726    -0.76864794    
C     2.08591722     0.22943579     0.75397387    
O     1.10184722    -0.76681172     1.02501209    
H    -0.73393706     3.41052813     0.46726832    
H    -1.97121337    -1.92943039     1.11107966    
H    -2.83247951    -0.38545110     1.33057049    
H    -2.90024285    -0.04703047    -1.23792773    
H    -2.03942594    -1.58930726    -1.47050528    
H     0.20532292    -2.04285917    -0.27745268    
H     2.97035592     0.13151108    -1.28915671    
H     1.74756120     1.44822915    -1.07101233    
H     3.03086503    -0.19010361     1.13216121    
H     1.80621593     1.12873205     1.32582828    
019
G10_01552 
O     2.91464944    -0.63000668     1.13939509    
N     1.71014879    -1.00427942     0.60430949    
C     1.21175061    -0.13466294    -0.21661974    
C     1.81529772     1.11459333    -0.57319374    
N     2.29884593     2.12201063    -0.86904821    
C    -0.12164295    -0.42160096    -0.86619897    
C    -0.51045388    -1.88498770    -0.82508713    
C    -1.65889128    -2.08222680    -0.16523704    
C    -2.23683214    -0.79797968     0.36422583    
C    -1.25937967     0.25477841    -0.10002759    
N    -1.28755931     1.53193132     0.04539131    
O    -2.39114426     1.97075250     0.75327720    
H     3.14069066    -1.40919115     1.74378746    
H    -0.10412722    -0.05768464    -1.92868031    
H     0.12497561    -2.61784874    -1.28840808    
H    -2.16407359    -3.01541852     0.00925983    
H    -3.25813127    -0.60121232    -0.01875028    
H    -2.32648777    -0.80566539     1.47026565    
H    -2.24470820     2.96755825     0.77771610    
014
G10_01783 
N    -4.76802855    -0.02565870     0.00028077    
C    -3.60821469    -0.01858004     0.00006976    
C    -2.23793025    -0.01151406    -0.00007750    
C    -1.02268066    -0.00570855    -0.00018931    
C     0.39249123     0.00928226    -0.00018316    
N     1.01250460    -1.19681384    -0.00015235    
C     2.35306609    -1.22088374     0.00000278    
C     3.13407355    -0.05331516     0.00014792    
C     2.49006460     1.17983335     0.00005595    
C     1.09590490     1.22484167    -0.00011255    
H     2.80932502    -2.21949360     0.00002465    
H     4.21908330    -0.11950718     0.00031026    
H     3.06741255     2.10515744     0.00016681    
H     0.56421302     2.17383155    -0.00019081    
014
G10_02469 
N    -2.09364991     2.15262252    -0.36014553    
C    -1.61666167     1.19619208     0.07648299    
C    -1.00527434    -0.00131512     0.63938433    
C    -1.61620448    -1.19719943     0.07253455    
N    -2.09272669    -2.15239559    -0.36730045    
C     0.45747529    -0.00074858     0.38668685    
C     1.57159706    -0.00449530     1.18230047    
C     2.70139268    -0.00144351     0.28917233    
C     2.19034309     0.00394560    -0.98127826    
O     0.81311495     0.00448825    -0.95330942    
H    -1.17859434    -0.00321366     1.77155004    
H     1.63198004    -0.00884552     2.25166272    
H     3.72780604    -0.00321042     0.59325730    
H     2.59091608     0.00778256    -1.97056244    
015
G10_03528 
C    -4.49085116    -1.15484759    -0.00005446    
C    -3.44050161    -0.18858613     0.00002635    
C    -2.54713564     0.63002457    -0.00002812    
C    -1.48515726     1.59744696    -0.00012049    
C    -0.19862212     0.95618073    -0.00004347    
C     0.88632010     0.41777912    -0.00001645    
C     2.17234388    -0.22358211     0.00003932    
F     3.20514377     0.62410457     0.00088276    
F     2.39150206    -1.01306662     1.05481895    
F     2.39224169    -1.01184954    -1.05549591    
H    -5.49079584    -0.68195599     0.00061126    
H    -4.44717055    -1.81298531    -0.88903716    
H    -4.44649991    -1.81398855     0.88816800    
H    -1.58031663     2.28255882    -0.89162826    
H    -1.58038628     2.28279834     0.89118410    
013
G10_03547 
C     4.77370603     0.00004384    -0.00007211    
C     3.55925839    -0.00000564    -0.00000737    
C     2.20039536    -0.00003176     0.00005285    
C     0.98348242    -0.00002459     0.00005496    
C    -0.42722786    -0.00000951     0.00007334    
N    -1.08111988     1.19721264     0.00002391    
C    -2.43245926     1.15290477    -0.00003552    
N    -3.14304200     0.00002081    -0.00004731    
C    -2.43249016    -1.15289105    -0.00004028    
N    -1.08114189    -1.19722841     0.00003073    
H     5.80479657     0.00008896    -0.00013377    
H    -2.98348635     2.10912217    -0.00004785    
H    -2.98352887    -2.10909403    -0.00004877    
015
G10_04034 
C     2.44785863     1.85303992    -0.50813782    
C     1.78291810     0.87440012    -0.25266452    
C     0.98368566    -0.26562784     0.04081883    
C     1.49883271    -1.65964025    -0.32900910    
N     1.41202242    -1.25042899     1.07790346    
C    -0.46345420     0.00126941     0.01233895    
N    -1.14724412     0.90271885     0.76358306    
N    -2.43123876     0.76584986     0.36609134    
N    -2.55403617    -0.18394258    -0.59641190    
N    -1.38067014    -0.66299959    -0.83245788    
H     3.01369729     2.68754874    -0.72475354    
H     0.77995603    -2.43072298    -0.63822105    
H     2.45350083    -1.76503924    -0.84356806    
H     2.27772206    -1.03797639     1.56086422    
H    -3.18133150     1.30778301     0.76209077    
016
G10_04102 
C    -3.25106735    -1.04637261    -0.26751468    
C    -2.19868262    -0.47633319    -0.07941975    
C    -0.97266962     0.15966679     0.14120445    
C    -0.75189169     1.41881117     0.97033013    
C    -0.25965833     1.47569202    -0.46583394    
C     0.99826680     0.67205549    -0.54444383    
C     2.33006026     0.41973782    -0.40368236    
C     2.38024356    -0.92841816     0.16900136    
N     1.15194607    -1.42420319     0.41133427    
N     0.30035311    -0.54746641    -0.16997173    
H    -4.14751115    -1.52990354    -0.42690307    
H    -1.62828497     2.00464509     1.24988090    
H    -0.03605925     1.41407718     1.79325171    
H    -0.60115429     2.15451768    -1.21803489    
H     3.17915259     1.02082757    -0.63786179    
H     3.27397307    -1.48762887     0.38112923    
018
G10_04122 
C     2.45917680     2.27011256    -0.00000198    
C     1.85722937     1.21793665    -0.00001159    
C     1.13971333     0.02290321    -0.00001085    
C    -0.24829651    -0.21330479    -0.00000522    
C    -0.38315629    -1.63654507     0.00000980    
N     0.83941773    -2.22247338     0.00003085    
N     1.75193970    -1.23137644     0.00001919    
C    -1.30045214     0.79018368    -0.00003201    
C    -2.59620031     0.52702351    -0.75242215    
C    -2.59616901     0.52706143     0.75242391    
H     2.97078700     3.16425171    -0.00001172    
H    -1.28892604    -2.21374404    -0.00000267    
H     2.72720586    -1.44894512     0.00003458    
H    -0.91541281     1.82143030    -0.00006884    
H    -3.06813873     1.33999229    -1.29640460    
H    -2.71802060    -0.40639305    -1.29519139    
H    -2.71796671    -0.40632068     1.29525387    
H    -3.06809091     1.34006190     1.29638760    
020
G10_04615 
O    -0.85439774     2.38194053     0.05490153    
N    -1.68326371     1.29568208     0.24305036    
C    -1.16787490     0.18445584    -0.19379224    
C    -1.94323102    -0.99338423    -0.05593512    
C    -2.59455815    -2.00874874     0.05244597    
C     0.14719244     0.04114477    -0.87088939    
C     1.42543662     0.77669229    -0.29161042    
C     1.44025874     0.35644501     1.20266943    
C     1.17848892    -1.17367600     1.00584443    
C     1.09378356    -1.18395145    -0.54498787    
O     2.22350595    -0.30812354    -0.88317642    
H    -1.40791400     3.13954339     0.42219291    
H    -3.14860682    -2.87254936     0.14302446    
H     0.03525547     0.20430438    -1.95963640    
H     1.72786053     1.75968054    -0.60617385    
H     2.41057923     0.55770674     1.67236190    
H     0.66589694     0.85465866     1.79578342    
H     2.00850426    -1.78981383     1.37215741    
H     0.25898057    -1.51774257     1.49020935    
H     1.08042556    -2.10301430    -1.10305595    
017
G10_04813 
C     2.90856610    -0.41740923     0.82245545    
C     2.18910286    -0.49764819    -0.52295555    
N     0.73089900    -0.29417601    -0.34373956    
N     0.00319509    -1.40196596    -0.31915632    
C    -1.29908146    -1.31866999    -0.11121936    
C    -1.93280380    -0.04977207     0.11031357    
F    -3.23376890    -0.03866924     0.32166265    
C    -1.21287913     1.10080820     0.10363447    
C     0.21595265     1.03099627    -0.13087215    
O     1.00181164     1.94844486    -0.17620231    
H     2.76428288     0.56502354     1.29601882    
H     2.54832224    -1.18010418     1.52351587    
H     3.98813386    -0.56325703     0.69717701    
H     2.55456278     0.30029040    -1.21486124    
H     2.36918877    -1.48272293    -1.01241244    
H    -1.86215677    -2.25729537    -0.11517111    
H    -1.63367169     2.09274251     0.26765258    
020
G10_04960 
N     0.51193088     2.51218227     0.09242489    
C     0.26604078     1.38224744     0.07969887    
C    -0.05409234    -0.02349041     0.06998436    
C    -0.98552046    -0.46622651     1.27740527    
C    -2.08614090    -0.84805149     0.27309386    
C    -2.48417399     0.33300285    -0.58041687    
C    -1.20465420    -0.40307841    -0.90740263    
C     1.14518917    -0.92368554    -0.09632881    
C     2.38025128    -0.46276535    -0.84632904    
N     2.41621771    -0.67749363     0.61329267    
H    -0.58289257    -1.30748656     1.85019704    
H    -1.24477853     0.33389474     1.97568636    
H    -2.68421838    -1.72795380     0.39968853    
H    -3.32941618     0.22985103    -1.25952935    
H    -2.45995159     1.34459035    -0.18056913    
H    -0.99609293    -0.86547385    -1.84997171    
H     0.86387867    -1.99141718    -0.14395499    
H     2.95900346    -1.17793009    -1.43837770    
H     2.43503213     0.53757902    -1.27406871    
H     2.46587945     0.15253174     1.19249439    
019
G10_05148 
N    -2.33468152     1.92334196    -0.70618489    
C    -1.78520575     0.96380968    -0.36980865    
C    -1.08536885    -0.22581559     0.04409848    
C    -1.73469031    -1.09561206     1.12436523    
N    -1.67467812    -1.55699863    -0.26852015    
C     0.37509561    -0.10775584    -0.04707976    
C     1.23688925    -0.92876547    -0.66460919    
C     2.64634184    -0.41859005    -0.50016553    
N     2.56247637     0.73712558     0.45137862    
C     1.10671084     1.05175014     0.59771083    
H    -1.09481605    -1.64382566     1.82534581    
H    -2.67144759    -0.78987130     1.58989739    
H    -2.54004759    -1.55792984    -0.79744593    
H     1.01835742    -1.82785207    -1.21342760    
H     3.34928204    -1.19581633    -0.15096680    
H     3.04129645    -0.02306948    -1.46491167    
H     2.96892178     0.49275982     1.35003226    
H     0.91645767     2.00177425     0.04635098    
H     0.81672380     1.21625539     1.65020565    
014
G10_05298 
N     4.45711896    -0.95261901     0.25599283    
C     3.44158162    -0.40921007     0.12069595    
C     2.24103680     0.23136866    -0.04039416    
C     1.17586422     0.79596184    -0.18521945    
C    -0.07866568     1.46419641    -0.35798431    
C    -1.21873967     0.57150037    -0.05992262    
N    -2.31910099     0.76821843     0.63636111    
C    -3.05122842    -0.43128556     0.56700285    
C    -2.33406686    -1.32269093    -0.19043081    
O    -1.16792721    -0.70884804    -0.60318240    
H    -0.14094391     2.37930210     0.30259332    
H    -0.17588719     1.86929396    -1.40574084    
H    -3.99845622    -0.51706495     1.06561865    
H    -2.44064022    -2.32688499    -0.52515535    
016
G10_05515 
C     2.07780198     1.36215460    -0.78661823    
C     1.35613782     0.81800893     0.39507117    
O     1.33907661     1.31570336     1.48432535    
C     0.58552725    -0.46560659     0.13180206    
N     1.08428972    -1.65268708     0.02301761    
O     2.44547912    -1.68240588     0.15644288    
C    -0.85036024    -0.29927198     0.00941366    
N    -1.88206537    -0.88441338     0.58526867    
C    -3.01779059    -0.23211626     0.05815084    
N    -2.65038875     0.70849960    -0.80676485    
O    -1.28451996     0.70135329    -0.86975327    
H     2.59970030     2.30329608    -0.54385198    
H     2.83729469     0.65417936    -1.15748240    
H     1.39589484     1.57478922    -1.62474797    
H     2.65331505    -2.67261808     0.09183551    
H    -4.02427240    -0.49895631     0.35241920    
014
G10_05538 
C    -0.39657386     2.89808462     0.14411182    
C     0.12915433     1.80673618     0.09416778    
C     0.70226315     0.54052382     0.03724674    
C     0.17735564    -0.74127901     0.29677138    
C    -1.16667832    -1.17029319     0.73593309    
C    -2.20203634    -0.59609001    -0.09543391    
N    -3.03144006    -0.13796519    -0.75763550    
N     1.20803804    -1.65669175     0.07033925    
N     2.27833529    -1.03438649    -0.29479820    
N     2.02914667     0.30172857    -0.33500678    
H    -0.84899402     3.82620820     0.18436316    
H    -1.23525587    -2.29606742     0.72105569    
H    -1.32744715    -0.89255426     1.81315718    
H     2.72936680     0.96657047    -0.60221866    
018
G10_05570 
C     2.75794750    -0.51294776     0.90184449    
C     2.17214488    -0.51671212    -0.50871793    
N     0.71088852    -0.28329084    -0.50972558    
N    -0.02892709    -1.40977196    -0.40798345    
C    -1.30031367    -1.33124976    -0.13894096    
C    -2.03395802    -0.07408063     0.16220506    
N    -3.28583490     0.03979747     0.42480030    
C    -1.17199155     1.10306270     0.13434408    
C     0.14018466     0.94483585    -0.15750794    
F     0.97303955     1.96807354    -0.19831546    
H     3.83366728    -0.72852977     0.87743461    
H     2.63217067     0.45156307     1.40772784    
H     2.28744926    -1.27774837     1.53499467    
H     2.64540796     0.26137771    -1.15077643    
H     2.36377088    -1.50137922    -1.00529448    
H    -1.85617100    -2.27501387    -0.13591151    
H    -3.88397308    -0.76653962     0.44681866    
H    -1.62872099     2.06812281     0.35269843    
029
G11_00224 
C     2.48342295     0.34699573     1.42689125    
C     2.23601906     0.56939756    -0.06976057    
C     3.55525703     0.39338989    -0.83720246    
C     1.18827944    -0.35495128    -0.65800544    
C     0.74862709    -1.65138881     0.01615684    
C    -0.18216565    -0.48455111    -0.05799847    
C    -0.92435520     0.30310542     1.00739390    
C    -2.14082233     0.21978058     0.02361210    
C    -3.29725975    -0.63802580     0.48333749    
C    -2.55577466     1.52700519    -0.61222286    
O    -1.31358273    -0.54232825    -0.92412060    
H     1.55660293     0.41701727     2.00484537    
H     2.92153813    -0.63924744     1.61746213    
H     3.17807923     1.09475260     1.82471574    
H     1.87490798     1.62077886    -0.21419343    
H     3.90902553    -0.64236870    -0.78065526    
H     3.43951031     0.64543344    -1.89659486    
H     4.34172155     1.03559941    -0.42848555    
H     1.23515429    -0.37292502    -1.75800312    
H     0.55653853    -2.52538685    -0.60177689    
H     1.17878700    -1.95066041     0.96478443    
H    -1.06015408    -0.20663132     1.96283961    
H    -0.54731188     1.31025664     1.19702034    
H    -3.86775966    -0.15394938     1.28269413    
H    -3.98505553    -0.84883856    -0.34674579    
H    -2.94804052    -1.61168111     0.85356673    
H    -1.68735267     2.06830028    -1.01187254    
H    -3.23285723     1.35474016    -1.45979548    
H    -3.06575666     2.18078556     0.10278215    
012
G11_00336 
F    -2.98243721     1.22008938    -0.01266729    
C    -2.43963666     0.00135531    -0.00009638    
F    -2.97460220    -0.60030823     1.06361388    
F    -2.97461240    -0.62210359    -1.05116517    
C    -0.99359682     0.00877518    -0.00002220    
C     0.21781143     0.01588893     0.00020765    
C     1.61389144     0.01840615     0.00025526    
N     2.43411510     1.10980645     0.00038796    
N     3.67621451     0.59489336     0.00002250    
N     3.65249518    -0.76748531    -0.00027717    
N     2.42402172    -1.14523777    -0.00014916    
H     4.50582985     1.17046415    -0.00017279    
026
G11_00692 
C     0.08615184     2.40235697     0.00459097    
N    -0.53545178     1.09249288     0.02116822    
C    -1.92396163     0.94270962     0.00945231    
C    -2.17255016    -0.42937569    -0.01184529    
O    -3.42569300    -0.93355114    -0.02007709    
C    -0.93807666    -1.12279878    -0.02029531    
C     0.07633247    -0.14757947    -0.00561956    
C     1.55753805    -0.38968750     0.00020414    
C     1.83203185    -1.89961613    -0.14781618    
C     2.23293274     0.33215599    -1.17904224    
C     2.15893503     0.07824852     1.33738764    
H     0.32614097     2.70996046    -1.03159733    
H    -0.59360973     3.16120183     0.43623358    
H     1.01796908     2.41442279     0.59987622    
H    -2.60604873     1.76128569     0.01933970    
H    -3.39618221    -1.92179382    -0.03483239    
H    -0.80751274    -2.17824041    -0.03424679    
H     1.40810099    -2.29022999    -1.08006988    
H     2.90698806    -2.10626148    -0.15990236    
H     1.39733108    -2.46785230     0.68238471    
H     2.24918659     1.41640066    -1.05160330    
H     3.27278408     0.00688964    -1.29521751    
H     1.71211146     0.11336711    -2.11922303    
H     1.65241495    -0.40563339     2.18194218    
H     3.22293764    -0.17325910     1.39961007    
H     2.06861278     1.15845717     1.47964227    
022
G11_00750 
C    -0.21685839     1.32775043     1.22474395    
C    -0.26504875     0.42832514    -0.00756589    
C    -0.19424152     1.25287382    -1.29005989    
C     0.84493676    -0.64530998     0.03427921    
C     2.27181279    -0.13545860     0.02165621    
N     3.21589158    -1.17451131     0.00998556    
N     2.59136593     1.11043361     0.00104084    
C    -1.63562895    -0.32265663     0.00285710    
F    -2.70349307     0.47210448    -0.02395425    
F    -1.82676512    -1.14963652    -1.02588953    
F    -1.83937085    -1.09603728     1.07028699    
H    -1.03249021     2.05943853     1.24504586    
H    -0.24110430     0.76676172     2.16432830    
H     0.72008832     1.91454575     1.23004984    
H     0.74019774     1.84327342    -1.31071718    
H    -0.19469788     0.63613059    -2.19455739    
H    -1.01263499     1.97699246    -1.37197192    
H     0.71758761    -1.27125238     0.94705065    
H     0.72593900    -1.33185870    -0.83620004    
H     2.95252811    -2.12863193     0.10292593    
H     4.18975688    -0.98008293     0.06975606    
H     3.54626353     1.41365236    -0.01014139    
017
G11_00916 
C    -0.19535350     2.75292690     0.00001117    
C     0.19959423     1.32411607     0.00001052    
C     1.52327640     0.90147407    -0.00000256    
C     1.82260854    -0.47535398     0.00001304    
F     3.10228156    -0.81890847    -0.00000007    
C     0.87175764    -1.48826839     0.00000894    
C    -0.45471799    -1.06683697    -0.00000704    
C    -0.76363779     0.31277722    -0.00001095    
O    -2.13846027     0.47679633    -0.00002127    
N    -2.70082444    -0.78326709    -0.00001051    
C    -1.76198038    -1.70869216     0.00001820    
H    -0.80600842     3.00175571     0.88406041    
H     0.66565906     3.43655018     0.00094728    
H    -0.80441772     3.00216927    -0.88502182    
H     2.33356356     1.63215604     0.00001308    
H     1.13826788    -2.54226321     0.00002083    
H    -1.95800301    -2.77005673     0.00002929    
029
G11_01419 
C     3.30425438     1.77664216     0.65016116    
C     3.18594234     0.43419633    -0.04286432    
C     2.55402276    -0.69217354     0.82873583    
C     1.35961025    -0.78016223    -0.16126454    
O     1.40452759    -2.04936025    -0.75440305    
C    -0.01850941    -0.49417327     0.41731811    
C    -1.08500692    -0.38933022    -0.67884931    
C    -2.40246030     0.01986128    -0.07387203    
C    -3.13734064    -0.97985442     0.75523799    
N    -2.80436231     1.22391439    -0.32686874    
O    -4.02101470     1.52303773     0.26698166    
C     2.00002143     0.32706264    -1.04928362    
H     2.35265039     2.09416308     1.09355470    
H     4.04652187     1.74294300     1.45676726    
H     3.61484826     2.55994755    -0.05175562    
H     4.14938103     0.13485932    -0.48882358    
H     3.14462208    -1.61348844     0.87239650    
H     2.29423000    -0.40547807     1.84705740    
H     0.80598640    -2.10375785    -1.52255424    
H    -0.28259125    -1.29535385     1.13717356    
H     0.01157209     0.44538951     1.00542230    
H    -0.76314077     0.34264716    -1.45288146    
H    -1.20693704    -1.35715352    -1.20598258    
H    -3.31376773    -0.59549702     1.77319605    
H    -4.13247462    -1.18794436     0.32906512    
H    -2.60853983    -1.93628258     0.84754319    
H    -4.17671515     2.46802423    -0.03294822    
H     1.40771074     1.23675394    -1.15565059    
H     2.29031735    -0.01560683    -2.04416022    
019
G11_01444 
C     3.50541311    -1.32456142    -0.06157729    
C     2.51404495    -0.62755762    -0.04096053    
C     1.35378107     0.14505927    -0.02163379    
C     0.01501883    -0.19525602    -0.14845732    
C    -0.91175137    -1.30552630    -0.34843151    
C    -1.90480003    -1.54340179     0.77684807    
C    -2.32205159    -0.65042417    -0.36687391    
C    -2.18456329     0.87042688    -0.17281674    
C    -0.71405189     1.05557110    -0.04541688    
N     0.13075581     2.08337194     0.13649969    
N     1.37704742     1.54072112     0.15329218    
H     4.34735620    -1.91742759    -0.07907218    
H    -0.62018132    -2.11552761    -1.00767420    
H    -2.35686846    -2.52573805     0.88082336    
H    -1.71265130    -1.11529083     1.75801732    
H    -3.09409449    -0.96777698    -1.05625833    
H    -2.59748657     1.42919390    -1.03422683    
H    -2.73356284     1.22088217     0.72151615    
H     2.16925533     2.13750093     0.26524022    
019
G11_01479 
C    -2.87253000     1.42711714    -0.38104849    
C    -2.11114224     0.22477395     0.04009775    
N    -2.56066208    -0.95941188     0.29594195    
O    -3.92097289    -1.08378808     0.14911641    
C    -0.62711206     0.41851224     0.20588809    
O    -0.17065571     1.45691006     0.58968566    
C     0.23398170    -0.78683016    -0.16110771    
N     1.64944829    -0.46951609    -0.10970163    
N     2.30702429     0.11728144    -1.13938317    
C     3.55483307     0.33133404    -0.66128700    
N     3.61547061    -0.13414582     0.66459335    
N     2.45498716    -0.60382053     0.97763647    
H    -3.93763977     1.36581129    -0.10533518    
H    -2.47160703     2.34895786     0.07778622    
H    -2.83132139     1.56783360    -1.47349763    
H    -4.08630500    -2.03760471     0.43593302    
H     0.01360770    -1.63117163     0.54954977    
H    -0.03242800    -1.15242354    -1.18743498    
H     4.38123227     0.77648673    -1.18548075    
020
G11_01584 
C    -2.33705298     0.30292315    -1.32022446    
C    -1.91842529     0.10264143     0.09074695    
N    -2.46652288    -0.61201936     1.01507154    
O    -3.61283842    -1.25655400     0.60817213    
C    -0.68422477     0.85113140     0.50593551    
O    -0.67616880     1.88729594     1.11344588    
N     0.55914632     0.29681112     0.10175655    
C     1.83850665     0.79080677     0.42215989    
C     2.75133445    -0.07993519    -0.16450472    
N     4.13355118     0.03224949    -0.23295493    
C     1.94775233    -1.09198845    -0.83407065    
N     0.64562861    -0.83821156    -0.65313937    
H    -3.35346862    -0.07918223    -1.50943389    
H    -2.32733267     1.36303118    -1.61439668    
H    -1.65925849    -0.23983103    -2.00661579    
H    -3.88263779    -1.75684340     1.44163307    
H     1.97041930     1.68004618     1.00441535    
H     4.56497412     0.61436770     0.46227926    
H     4.63780236    -0.81935098    -0.39847706    
H     2.30107201    -1.92876260    -1.40793138    
029
G11_01638 
C    -4.42130467    -0.84714979     0.00030874    
C    -3.23252076     0.11539829    -0.00037538    
C    -1.90946461    -0.66069099     0.00104942    
C    -0.65028636     0.24696368     0.00010501    
C    -0.62571920     1.12000637    -1.25908317    
C    -0.62673307     1.12408343     1.25646174    
C     0.57404651    -0.70826557     0.00220034    
C     1.92215082    -0.02906428     0.00030217    
O     2.09409654     1.15640798     0.00030021    
C     3.07967194    -1.02725817    -0.00179639    
O     4.26685508    -0.26017625     0.00151005    
H    -5.37158656    -0.30166129    -0.00065496    
H    -4.41322508    -1.49524607    -0.88273295    
H    -4.41385123    -1.49321840     0.88483239    
H    -3.28730450     0.77790699    -0.88476964    
H    -3.28797295     0.77999034     0.88241122    
H    -1.88111188    -1.32410299     0.88555470    
H    -1.88066033    -1.32658035    -0.88157943    
H    -1.47147622     1.81526829    -1.28157896    
H     0.28527875     1.73394306    -1.29979519    
H    -0.66418609     0.51939728    -2.17184490    
H    -0.66634448     0.52644934     2.17112410    
H     0.28449978     1.73776355     1.29616112    
H    -1.47223223     1.81974094     1.27582778    
H     0.50702278    -1.36993467     0.88958308    
H     0.50650810    -1.37456040    -0.88164588    
H     3.04850029    -1.66385929     0.90090872    
H     3.04948432    -1.65840584    -0.90836401    
H     5.04353512    -0.85841948    -0.00195238    
020
G11_01962 
C    -0.31508920     1.46663870    -0.61885088    
C    -0.31973896     0.07201862     0.00426763    
C    -1.57913514    -0.70104072    -0.43854182    
C    -2.80347120    -0.14074150     0.21161320    
O    -3.91134784    -0.57550186    -0.44856882    
O    -2.90460036     0.57246296     1.17295470    
C     0.91081016    -0.75361947    -0.41660089    
C     2.23574580    -0.15369026     0.04270241    
F     2.25130683     0.30218859     1.29370037    
F     3.24592853    -1.02752117     0.00522481    
F     2.67715017     0.86709245    -0.69180879    
H    -0.13253980     1.44332856    -1.69803027    
H    -1.27494387     1.97707153    -0.45515842    
H     0.44426398     2.11709326    -0.16633625    
H    -0.34393585     0.17460426     1.12146123    
H    -1.68767193    -0.67800810    -1.54547941    
H    -1.50237062    -1.77971337    -0.17756799    
H    -4.76049338    -0.25212631    -0.05963360    
H     0.81799204    -1.78633786    -0.00838707    
H     0.92294045    -0.87553480    -1.52299832    
025
G11_02074 
C    -0.43704998    -1.76813731     0.74020395    
C    -0.75887274    -0.58182960    -0.14916519    
C     0.40911086    -0.22999945    -1.07390885    
C     1.68169994     0.01839737    -0.32118123    
C     1.78990160     1.32681264     0.40918254    
O     1.45427457     2.35678160    -0.11549739    
N     2.60694461    -0.88055785    -0.35920351    
O     3.73350061    -0.52579635     0.35840568    
C    -2.09952077    -0.74170046    -0.93905720    
C    -2.69890362     0.46437814    -0.16542013    
O    -3.80044640     0.14982668     0.62579754    
C    -1.36834138     0.63439570     0.61705237    
H    -1.30123232    -2.08236459     1.33544612    
H    -0.11426781    -2.63504022     0.14835830    
H     0.37529219    -1.54024937     1.44137633    
H     0.54553595    -1.05044434    -1.81466102    
H     0.16599914     0.67669841    -1.67563400    
H     2.18376464     1.29323267     1.43275761    
H     4.34175292    -1.31493059     0.21644432    
H    -2.02375061    -0.59794626    -2.01752268    
H    -2.61943896    -1.68701306    -0.77161266    
H    -3.04083230     1.32212813    -0.76162115    
H    -3.61496772    -0.60009694     1.22438615    
H    -1.46117400     0.49965642     1.69615380    
H    -0.86797885     1.59053060     0.44478783    
027
G11_02226 
C    -3.44866533    -0.82517640     0.35855800    
N    -2.02509454    -0.64732164     0.14153491    
C    -1.53239290     0.50834796    -0.16190543    
C    -2.31122387     1.77861113    -0.41522857    
N    -0.13647959     0.70483503    -0.23579889    
C     0.81414639    -0.41528572    -0.05141083    
C     0.64159206    -1.08016833     1.31960884    
C     0.71760388    -1.44151707    -1.18418620    
C     2.24331183     0.19175527    -0.03462470    
C     2.44690564     1.53397153     0.59585963    
O     3.16246540    -0.43680331    -0.49273056    
H    -3.78767745    -0.35567663     1.29771395    
H    -4.07437906    -0.44840637    -0.46660594    
H    -3.62728335    -1.91519097     0.44729174    
H    -3.03822418     1.95264500     0.39161204    
H    -1.68012761     2.67537155    -0.46121658    
H    -2.87004671     1.71149714    -1.35855140    
H     0.14094962     1.32963553    -0.99111923    
H    -0.27034033    -1.69986843     1.34042632    
H     1.48676636    -1.73593498     1.55450383    
H     0.53386594    -0.33911228     2.11869913    
H     0.85852012    -0.98602231    -2.16806959    
H     1.48414738    -2.22067556    -1.07459454    
H    -0.26427438    -1.93756871    -1.17589450    
H     1.67972087     1.76409385     1.34892996    
H     3.43225116     1.59664300     1.08120101    
H     2.41415684     2.33008448    -0.16050401    
027
G11_02570 
C     1.66427901     2.65279561    -0.05156609    
C     1.98131286     1.20350040     0.30389803    
O     0.90012892     0.47350765    -0.25802317    
C     0.92809791    -0.93805730    -0.13388789    
C     2.06833738    -1.52477058    -0.97129014    
C     1.01751374    -1.38006372     1.32531682    
C    -0.43995252    -1.32471139    -0.75628595    
C    -1.55135640    -0.60725758    -0.03855080    
O    -2.12485146    -1.09682285     0.90508998    
C    -1.93114072     0.76965253    -0.53395139    
O    -3.10168518     1.25708818     0.08131225    
H     2.45748765     3.32626439     0.28794694    
H     1.55189135     2.77656077    -1.13637154    
H     0.72188573     2.97732769     0.40881501    
H     2.93037466     0.86513754    -0.14451037    
H     2.00542666     1.04323139     1.39571273    
H     3.04366328    -1.36104655    -0.50157896    
H     1.95135383    -2.60461704    -1.10842410    
H     2.10347835    -1.05897634    -1.96398309    
H     0.28379629    -0.84658215     1.94688156    
H     0.80175580    -2.45004177     1.43168611    
H     2.00818926    -1.20195393     1.75323389    
H    -0.43864840    -1.07852602    -1.83522987    
H    -0.58061532    -2.42152011    -0.68247697    
H    -1.12057528     1.50087024    -0.31734238    
H    -2.14989741     0.78677624    -1.61809455    
H    -3.32389409     0.71061544     0.87260325    
025
G11_02758 
C     0.10144333    -1.88051355     0.92865946    
C    -0.36574742    -0.84986139    -0.07699271    
C     0.74578040    -0.41637737    -1.03041968    
C     1.96951499     0.05830387    -0.30488530    
C     1.89004480     1.41152982     0.34338793    
O     1.36827509     2.33638399    -0.22300611    
N     3.01286666    -0.70156544    -0.29949422    
O     4.08055458    -0.14967901     0.38153509    
C    -1.67111412    -1.28067846    -0.84947985    
C    -2.40691159    -0.13679905    -0.18566625    
C    -1.18052414     0.33331586     0.56148439    
N    -3.63565525     0.19123780    -0.30637893    
O    -3.97918573     1.29626534     0.45977781    
H    -0.72480923    -2.25236317     1.54747944    
H     0.55619288    -2.74864858     0.43301507    
H     0.85674071    -1.47040438     1.61082518    
H     0.99667385    -1.26426396    -1.70830784    
H     0.38600179     0.40182185    -1.69860226    
H     2.32444191     1.50892764     1.34621771    
H     4.79377075    -0.85244470     0.27923003    
H    -1.61213455    -1.21432950    -1.94081066    
H    -2.04648952    -2.27768540    -0.59540538    
H    -1.26754686     0.30159948     1.65224784    
H    -0.84205833     1.33964173     0.28234662    
H    -4.94924444     1.41953844     0.23001742    
026
G11_03028 
C    -3.42712619    -1.01148974     0.01337189    
C    -2.11847234    -0.33087987    -0.00377416    
N    -1.90629133     0.99716224    -0.03537760    
C    -0.52061661     1.18227149    -0.03018609    
N     0.02058943     2.47306851     0.04156886    
C     0.12948199    -0.06162684    -0.00826121    
N    -0.90262153    -1.01354646    -0.00046611    
C     1.58137708    -0.39794565     0.00998606    
C     1.81634391    -1.91776701     0.09950275    
C     2.23171292     0.12440500    -1.28600712    
C     2.23027133     0.27646979     1.23138603    
H    -3.56117949    -1.62796420     0.91525430    
H    -4.24753499    -0.26812803     0.00841303    
H    -3.57243689    -1.65314730    -0.86883066    
H    -0.68162400     3.20195849     0.02575503    
H     0.75236567     2.65036920    -0.62755099    
H    -0.76690018    -1.99695276     0.02653485    
H     1.41200665    -2.44280840    -0.77099040    
H     2.89030168    -2.13891898     0.13693990    
H     1.37388928    -2.34084341     1.00686480    
H     2.19123325     1.21571391    -1.34419908    
H     3.28590936    -0.16613498    -1.34310661    
H     1.72470485    -0.27518349    -2.17080271    
H     1.81173757    -0.11259183     2.16598907    
H     3.31168326     0.11920582     1.24979314    
H     2.04522951     1.35936259     1.23380042    
025
G11_03061 
C    -3.38920665    -1.05697369     0.00014037    
C    -2.05179370    -0.43786938     0.00002084    
N    -0.86924293    -1.06737662    -0.00000025    
C     0.13252956    -0.09857615    -0.00009613    
C    -0.48438305     1.15490976    -0.00014319    
O    -0.05216499     2.43188797    -0.00022576    
N    -1.86302741     0.95994514    -0.00010783    
C     1.59190624    -0.41041952     0.00000332    
C     1.82172129    -1.92881890    -0.00031622    
C     2.23414954     0.19948964    -1.26111448    
C     2.23377261     0.19884663     1.26162164    
H    -3.97337585    -0.78293570    -0.89165541    
H    -3.30176145    -2.16044396     0.00013561    
H    -3.97320325    -0.78292665     0.89204654    
H     0.94636828     2.44202291    -0.00067164    
H    -2.55134043     1.67599728    -0.00002705    
H     1.35500810    -2.39565480    -0.87743542    
H     2.88506256    -2.17751738    -0.00012515    
H     1.35460080    -2.39605986     0.87638521    
H     2.11734512     1.28456461    -1.30321361    
H     3.30492450    -0.02515538    -1.30403113    
H     1.77325881    -0.21544484    -2.16646005    
H     1.77264399    -0.21657987     2.16662074    
H     3.30454394    -0.02573384     1.30472855    
H     2.11685128     1.28391922     1.30426712    
024
G11_03118 
C     1.86879904    -0.15813151     1.41931265    
C     1.33953567     0.06562000    -0.00106548    
C     1.98767127     1.29134521    -0.65910997    
O     1.80903523    -1.08912300    -0.71780779    
C    -0.14486790     0.05856422    -0.03391264    
C    -0.90949696    -1.12548376    -0.03655374    
N    -0.48984353    -2.45893457     0.05541195    
N    -2.25580124    -0.80669253    -0.05113717    
C    -2.37745997     0.59242459    -0.00802389    
C    -1.08881038     1.13721542     0.01182607    
N    -0.81461885     2.49711941     0.15629730    
H     1.53318149     0.64259260     2.08714869    
H     1.49253008    -1.10527993     1.82769782    
H     2.96227778    -0.20369529     1.43433602    
H     3.03770698     1.07380639    -0.89990222    
H     1.48436758     1.56454737    -1.59069726    
H     1.98846975     2.15418751     0.01446789    
H     1.60219932    -1.00996313    -1.66486542    
H     0.52420957    -2.54722206     0.00597483    
H    -0.95336324    -3.11004494    -0.55458127    
H    -3.01208307    -1.44334925     0.03011332    
H    -3.32586147     1.07477375     0.01312823    
H    -1.55056598     3.12085965    -0.11855854    
H     0.08865466     2.80206892    -0.15186595    
017
G11_03279 
C     3.25723760    -0.79370539    -0.00003487    
C     1.81006561    -0.44099128     0.00001415    
C     0.84220986    -1.40237736     0.00002907    
C    -0.52511697    -1.01519336     0.00002963    
C    -1.74116660    -1.66277842     0.00001451    
O    -2.75016279    -0.73325604     0.00000544    
N    -2.21659309     0.52366249    -0.00000862    
C    -0.88698231     0.40605253     0.00000465    
C     0.17965348     1.36338099    -0.00000427    
F    -0.14155798     2.64343982    -0.00001215    
C     1.47841388     0.96407784    -0.00000046    
H     3.76878912    -0.38628178     0.88589648    
H     3.43256553    -1.87825799     0.00058972    
H     3.76840726    -0.38736075    -0.88668953    
H     1.08152701    -2.46313232     0.00004743    
H    -2.05527159    -2.68086043     0.00002998    
H     2.29789306     1.68398285    -0.00001305    
022
G11_03461 
C    -3.15297917    -1.24538107    -0.05040147    
C    -2.21267572    -0.06724525    -0.04806897    
N    -2.69679084     1.11995030    -0.05847012    
N    -0.85704445    -0.46636361    -0.08698950    
C     0.26406665     0.46725076     0.06907206    
C     0.29020151     1.48165409    -1.08060528    
C     0.25953514     1.16308048     1.43440910    
C     1.58843539    -0.38630538    -0.03320395    
F     1.73494917    -1.03555056    -1.18423355    
F     2.70028809     0.33320094     0.09236207    
F     1.70755430    -1.33137800     0.89899443    
H    -4.19972974    -0.90005652    -0.13174657    
H    -2.96795140    -1.91088671    -0.90522459    
H    -3.07889122    -1.82981782     0.87535788    
H    -2.13079855     1.94383963    -0.06011441    
H    -0.67197898    -1.43543830     0.14428315    
H    -0.46780855     2.26459371    -0.96148554    
H     1.25205423     2.00252781    -1.16552796    
H     0.08874725     0.99714400    -2.04892642    
H     0.30311365     0.45153476     2.26943370    
H     1.10072281     1.85906400     1.54857684    
H    -0.65580678     1.75055754     1.58527334    
029
G11_03636 
C     1.42915422     2.02375906    -0.84729852    
C     0.78339893     0.64226116    -0.69388991    
C     1.82914799    -0.41602420    -0.39888566    
C     1.74435075    -1.70308166    -1.15597170    
N     2.74528778    -0.15320833     0.47704463    
O     3.63798292    -1.20299906     0.64505653    
C    -0.31863131     0.64862185     0.37669469    
C     0.13858672     1.10956412     1.74247598    
C    -1.62370774     1.38875496    -0.11574628    
C    -2.36227298     0.06992814    -0.05468103    
C    -1.14766793    -0.69065331     0.42164299    
N    -3.58487009    -0.16702681    -0.34048482    
O    -3.93033378    -1.50195046    -0.17360571    
H     0.67831877     2.80036722    -1.02491917    
H     1.99622578     2.30631889     0.05067269    
H     2.13584469     2.03772298    -1.68500129    
H     0.30334348     0.38377384    -1.67706193    
H     2.66369502    -1.87055950    -1.74190920    
H     1.66144310    -2.55983780    -0.46641158    
H     0.89880907    -1.75037466    -1.85123256    
H     4.26899281    -0.83625687     1.33289419    
H     0.48844905     2.14931854     1.72375077    
H    -0.66436850     1.04656714     2.48634575    
H     0.97632657     0.50072918     2.11403525    
H    -1.99801641     2.15525756     0.57127503    
H    -1.56161255     1.83544648    -1.11275991    
H    -0.80438934    -1.47992028    -0.25356338    
H    -1.24486846    -1.13342625     1.41916736    
H    -4.90111070    -1.50213226    -0.42883744    
015
G11_03675 
C    -4.82084534    -0.51561685     0.00011752    
C    -3.42589793    -0.22473870     0.00003149    
C    -2.23750274     0.02398855    -0.00003283    
C    -0.87148329     0.29952152    -0.00004881    
N    -0.32752121     1.56683549    -0.00007148    
N     1.00326265     1.39241844    -0.00001674    
C     1.28377246     0.02359690    -0.00004876    
N     0.12759809    -0.67094032    -0.00001689    
N     2.63570456    -0.49483878     0.00000263    
O     3.51226085     0.35993312     0.00008470    
O     2.81158418    -1.68853048     0.00001190    
H    -5.43796215     0.40415527    -0.00379711    
H    -5.12106289    -1.10806410    -0.88697932    
H    -5.12233341    -1.10134104     0.89123241    
H     1.63052969     2.18239023    -0.00003583    
020
G11_03741 
C     0.85302854     2.51572163    -0.49246322    
C     0.33347388     1.15479162    -0.00556411    
C    -1.15844478     1.01414117    -0.39518842    
C    -1.78610453    -0.27922376     0.11132196    
F    -1.64469454    -0.49952574     1.41610779    
F    -3.10728851    -0.32760626    -0.08538517    
F    -1.33852357    -1.39014971    -0.47186107    
N     1.09500442     0.06022102    -0.61389758    
C     2.06751684    -0.58149293     0.15182467    
N     2.82580118    -1.54561470    -0.52489505    
O     2.26270982    -0.32175061     1.32332758    
H     0.32145934     3.34390246    -0.01126464    
H     1.91778837     2.63169989    -0.24240670    
H     0.75938168     2.63764089    -1.57561483    
H     0.44808593     1.09575324     1.11693803    
H    -1.71616980     1.88771345     0.01206346    
H    -1.27499511     1.08318556    -1.49811449    
H     1.07157891    -0.02454209    -1.61438770    
H     2.46723208    -2.00110659    -1.33771392    
H     3.42861501    -2.11494694     0.04614606    
019
G11_03867 
C    -2.33036346     1.86677360     0.66137461    
C    -2.31543773     0.48430740     0.10757152    
N    -3.18623308    -0.29792036    -0.38242485    
O    -0.99927388     0.05955241     0.06198592    
C    -0.66594509    -1.26536931     0.20219513    
O    -1.28800246    -2.04871904     0.84970484    
C     0.64075886    -1.49956563    -0.51743795    
C     1.59753279    -0.35837895    -0.32186528    
N     2.67218886    -0.59815551     0.36290431    
O     3.49881802     0.48309867     0.50082425    
C     1.23880131     0.89826632    -0.90893100    
N     0.94158206     1.91281710    -1.37715558    
H    -2.01194337     1.87918865     1.71659643    
H    -1.62189282     2.51990315     0.11681494    
H    -3.32321424     2.33014678     0.59950004    
H    -4.16116754    -0.08759972    -0.44889341    
H     1.08210538    -2.46528103    -0.16162198    
H     0.43023396    -1.64969282    -1.60488214    
H     4.26173682     0.11163636     1.05376338    
023
G11_04121 
C     1.58044896    -1.46932974     0.52381402    
C     1.95512954    -0.05912604     0.05447133    
C     2.02367009     0.89264315     1.25568104    
C     3.32394288    -0.09678132    -0.64380879    
C     0.90632613     0.45204326    -0.97448098    
C    -0.45199033     0.48975543    -0.42395967    
C    -1.19643961     1.35656253     0.29384782    
O    -2.46106004     0.81129843     0.51561339    
C    -2.46595661    -0.43403856    -0.10171367    
O    -3.37907301    -1.19512386    -0.12031387    
O    -1.22553047    -0.64701591    -0.69235560    
H     0.61104159    -1.48130188     1.03613598    
H     1.50784764    -2.16876435    -0.31678193    
H     2.32382718    -1.86897907     1.22155696    
H     2.78503089     0.56655620     1.97355891    
H     2.27942839     1.91214696     0.95104658    
H     1.07092212     0.93220838     1.79538114    
H     3.32079909    -0.77586333    -1.50309697    
H     3.62488594     0.89306224    -1.00098243    
H     4.10507032    -0.44642545     0.04087117    
H     1.20572280     1.45939088    -1.33670497    
H     0.93532369    -0.20644766    -1.87411219    
H    -1.06424103     2.32315945     0.71900628    
024
G11_04392 
C     2.36352016     0.99015772    -0.05660042    
C     1.58165960    -0.33051464     0.00689707    
C     1.92530358    -1.18272720    -1.22781606    
C     1.95992559    -1.08730317     1.29132756    
C     0.11488571    -0.04439572     0.01663448    
C    -0.57901932     1.13517245    -0.01107895    
O    -0.14721592     2.40257769    -0.14419435    
N    -1.98057824     0.88453425     0.05738245    
C    -2.14792196    -0.54278035    -0.00314465    
N    -3.20207258    -1.27727122    -0.02688661    
N    -0.84541224    -1.08779329     0.08592329    
H     2.08935080     1.57493051    -0.94470275    
H     2.16094147     1.61970512     0.81672421    
H     3.44262183     0.81224926    -0.09534571    
H     3.00654267    -1.34239559    -1.30482005    
H     1.45286187    -2.16846572    -1.19204290    
H     1.59972018    -0.68876659    -2.15104499    
H     1.69495894    -0.50752929     2.18340027    
H     1.44046090    -2.04842643     1.36591941    
H     3.03563333    -1.28616410     1.33039890    
H    -0.30405767     2.90554430     0.70091992    
H    -2.63731225     1.51385200    -0.36500743    
H    -4.12155763    -0.88487090    -0.00643930    
H    -0.64954392    -2.04278174    -0.13338526    
020
G11_04548 
C    -1.92562998     1.17759035    -1.23636071    
C    -1.28508992     0.96976155     0.08837031    
O    -0.89399892     1.86867080     0.78997102    
C    -1.08687595    -0.44970625     0.55269339    
C     0.22002008    -0.71667351     1.27558290    
N     1.35163206    -0.30711046     0.45829534    
C     1.90862876     0.95994256     0.26710643    
N     2.87698122     0.85205312    -0.65559926    
C     2.89682043    -0.48948675    -1.03257257    
N     1.96307984    -1.20558352    -0.36445400    
N    -1.89986312    -1.44232134     0.44105430    
O    -3.08011791    -1.13546218    -0.18894870    
H    -1.60117005     0.43723937    -1.98333727    
H    -3.02401390     1.09329077    -1.16128624    
H    -1.70808604     2.18086894    -1.63929389    
H     0.23265356    -0.13917150     2.23725514    
H     0.32175163    -1.80635132     1.53504860    
H     1.59761442     1.85270593     0.78983388    
H     3.58102839    -0.88805538    -1.76312883    
H    -3.57722166    -2.01517964    -0.16588651    
028
G11_04640 
C    -2.82285311     0.91813575     1.05286951    
C    -1.79422183    -0.00240667     0.48169087    
C    -0.36795789     0.23238091     0.89514889    
C     0.54381278     0.75239554    -0.25814384    
C    -0.04692831     2.01758065    -0.88456632    
C     1.96633008     0.99633904     0.31237626    
C     2.71177732    -0.32834970     0.09567143    
O     2.65530618    -0.99337115     1.34585718    
C     1.90406336    -1.10575461    -0.97109429    
N     0.74206569    -0.25614988    -1.33180303    
N    -2.02599297    -0.99710388    -0.31432720    
O    -3.36964937    -1.16917319    -0.61107983    
H    -3.78553674     0.85149345     0.52111394    
H    -3.02395533     0.67531754     2.10740205    
H    -2.49922931     1.96727972     1.00686711    
H    -0.32935790     0.94764668     1.73916635    
H     0.07960340    -0.70788183     1.29353556    
H    -0.11841868     2.83010567    -0.15750728    
H     0.57176015     2.35710654    -1.72659455    
H    -1.04761459     1.82996524    -1.29319657    
H     2.46795959     1.81912188    -0.22230486    
H     1.95196906     1.27205074     1.37984605    
H     3.77534064    -0.19404916    -0.17534340    
H     3.06459729    -1.87554190     1.29772623    
H     2.49438203    -1.26035584    -1.89788748    
H     1.60733127    -2.10247195    -0.59062447    
H    -0.10256669    -0.80632270    -1.48310725    
H    -3.34615093    -1.92705389    -1.26838795    
017
G11_04949 
C    -2.89713399    -2.25003509    -0.00098741    
C    -2.24532850    -1.22804385    -0.00064529    
C    -1.50122482    -0.05340333    -0.00019302    
C    -0.13027988     0.16562021    -0.00139405    
O     0.07311317     1.52502947    -0.00023591    
N    -1.19422887     2.11705282     0.00167401    
N    -2.09346153     1.24184681     0.00176057    
C     1.03955615    -0.69869014    -0.00326115    
C     2.14663966    -0.34867652    -1.04624994    
O     3.11411050    -0.08774733     0.00299661    
C     2.14293739    -0.35740012     1.04658449    
H    -3.45134483    -3.11908707    -0.00131895    
H     0.74786295    -1.76908432    -0.00823571    
H     2.49333977    -1.17947715    -1.66710951    
H     1.98606709     0.56080023    -1.63349642    
H     1.98019396     0.54716222     1.64076203    
H     2.48741812    -1.19334508     1.66173334    
019
G11_04969 
C     4.49213806    -0.42599214     0.23167234    
C     3.29907470    -0.25600868     0.09958794    
C     1.92975382    -0.06504603    -0.05286821    
C     0.86660989    -0.88687728    -0.33949502    
C    -0.28480865    -0.00894523    -0.34064435    
N     0.11355499     1.23283822    -0.07160819    
O     1.46807549     1.23968753     0.11141552    
C    -1.68825042    -0.41942909    -0.59475525    
C    -2.36879385    -1.08927411     0.64453088    
C    -3.36918752     0.10119563     0.64932271    
N    -2.73519985     0.66559744    -0.59669411    
H     5.50745419    -0.57322476     0.34348780    
H     0.85594555    -1.93879872    -0.52576602    
H    -1.76599292    -1.00245501    -1.54013463    
H    -2.81332167    -2.06557531     0.44283418    
H    -1.74007340    -1.17117352     1.53290111    
H    -4.41759263    -0.16695386     0.45078771    
H    -3.32135236     0.74094945     1.53780257    
H    -2.35206079     1.59614450    -0.48673554    
019
G12_00406 
C    -3.38911970     0.35941889     0.12562504    
C    -2.29953192    -0.46997479    -0.45604998    
O    -2.26995024    -0.89374839    -1.57655603    
C    -1.15185887    -0.75046893     0.51316908    
O    -1.18023919    -1.63549179     1.31758262    
C     0.00271017     0.19520677     0.39239193    
N    -0.19390569     1.43959583     0.73942129    
N     0.80455103     2.33575859     0.58678466    
N     2.09250649     1.97398196     0.34848399    
C     2.35087989     0.74939145    -0.00725238    
C     1.30745485    -0.29244985    -0.08621368    
N     1.42664685    -1.50334332    -0.53294787    
O     2.69872445    -1.80273855    -0.95280614    
H    -4.17469925     0.57654759    -0.61493535    
H    -3.87015590    -0.14568291     0.97830552    
H    -3.00952806     1.32733764     0.49424761    
H     0.70539359     3.18121957     1.16561344    
H     3.38811710     0.48509491    -0.25148614    
H     2.60082976    -2.76009583    -1.26637664    
029
G12_00437 
C    -0.82783498     2.59486059     0.08751474    
C    -1.15029828     1.16502241    -0.07029996    
C    -0.34629776     0.12104698    -0.54825657    
C     1.04297899     0.11000195    -1.04366902    
C     2.08659845    -0.22898379     0.05678370    
C     1.82739515    -1.62930200     0.62976724    
C     3.48339771    -0.19667772    -0.58787694    
C     2.02232756     0.80918760     1.18373911    
N    -1.13671733    -1.03375970    -0.50208179    
C    -2.38131685    -0.65402007     0.00383284    
N    -3.38295478    -1.62691790     0.21200727    
N    -2.40600169     0.66889025     0.26394722    
H    -0.89657886     2.90153144     1.14475506    
H     0.18220689     2.83608400    -0.26847560    
H    -1.54392982     3.22519273    -0.46653371    
H     1.15528055    -0.60549033    -1.88507087    
H     1.28902993     1.10460763    -1.47728183    
H     1.80927818    -2.39077303    -0.15458147    
H     2.60761509    -1.91284213     1.34512595    
H     0.87258924    -1.66881661     1.16699164    
H     3.70648326     0.78583825    -1.01565791    
H     4.26226432    -0.41388778     0.15099577    
H     3.57550420    -0.93819753    -1.38739343    
H     1.02350889     0.83914901     1.63832176    
H     2.73803313     0.57970127     1.97942826    
H     2.24430476     1.81625777     0.81775758    
H    -0.84949864    -1.95466289    -0.74507123    
H    -4.06747270    -1.64423664    -0.53662293    
H    -3.85997037    -1.49543551     1.09932730    
028
G12_00489 
C     1.48802022    -2.08079646    -0.39897260    
C     2.13834885    -0.73266782    -0.06927636    
C     2.86411970    -0.74823865     1.27768602    
O     3.04580137    -0.43357639    -1.11260247    
C     1.11544885     0.40239122    -0.07399737    
N     1.44362732     1.50266637    -0.65805031    
O     0.44876883     2.47181624    -0.61190777    
C    -0.18827097     0.14048296     0.66418771    
O    -0.43233181     1.16238351     1.59876104    
C    -1.34894592     0.03058757    -0.33792694    
C    -2.62962607    -0.35535122     0.39498533    
C    -3.82893877    -0.31958896    -0.51188690    
O    -4.82259614    -0.95691842    -0.26510251    
H     0.80537538    -2.42514568     0.38278457    
H     0.93261282    -2.02248334    -1.34470624    
H     2.25104234    -2.85750997    -0.53181943    
H     3.53834922    -1.60544153     1.36861521    
H     3.46405389     0.16557409     1.40170089    
H     2.16384364    -0.78625356     2.12110925    
H     3.86599988    -0.95671074    -1.02279257    
H     0.89428559     3.25289295    -1.05931252    
H    -0.12681023    -0.75716208     1.32529997    
H    -0.39765699     2.04338014     1.16919084    
H    -1.47413662     0.99748817    -0.86766119    
H    -1.10338539    -0.71220512    -1.12107065    
H    -2.53672647    -1.35585242     0.86643117    
H    -2.80329408     0.33524632     1.25438230    
H    -3.77764899     0.31448699    -1.40559633    
022
G12_00506 
C    -1.60706673    -1.44492806    -0.84961430    
C    -1.28668784    -0.01548985    -0.38946643    
C    -2.07639719     0.96361123    -1.28091322    
C    -1.74738598     0.14336411     0.98720046    
N    -2.13013870     0.27214514     2.06991668    
C     0.22687273     0.31908696    -0.48544445    
C     0.54707910     1.67572751     0.18642302    
O     1.56213104     2.31254519    -0.54740232    
C     1.13080831    -0.76948205     0.10647413    
F     1.25867664    -1.86330871    -0.64346213    
F     2.39256213    -0.37405227     0.28797271    
F     0.75825447    -1.21805978     1.30306593    
H    -1.15364555    -1.67095548    -1.82223621    
H    -1.27894971    -2.21132362    -0.13591735    
H    -2.69093815    -1.58996581    -0.96358923    
H    -3.15770805     0.78756875    -1.20649929    
H    -1.90598981     2.01310244    -1.01129205    
H    -1.80097513     0.84976363    -2.33689281    
H     0.48295203     0.42922492    -1.57988829    
H    -0.30290929     2.38430859     0.09667703    
H     0.81001509     1.58574960     1.25412654    
H     2.45545817     2.07822847    -0.22352687    
021
G12_00598 
C     3.96675756    -1.04608412     0.35636421    
C     2.92944633    -0.44022777     0.19246391    
C     1.74030813     0.25254250     0.00614452    
C     0.45739929    -0.25798016    -0.20536983    
C    -0.30395094    -1.52431238    -0.32726652    
C    -1.76998500    -1.06448155    -0.56542738    
N    -2.56719758    -1.09346064     0.70502345    
C    -2.62240993     0.40927510     0.78013317    
C    -1.77655562     0.53880036    -0.53016405    
N    -0.37914938     0.84933990    -0.34485553    
N     0.27502294     2.02313272    -0.21815945    
C     1.57139902     1.68764374    -0.01081972    
H     4.84647379    -1.55710643     0.49560561    
H     0.06874009    -2.16383863    -1.14717729    
H    -0.23757039    -2.13179579     0.60403309    
H    -2.23228099    -1.53476147    -1.43972921    
H    -3.46852405    -1.54100198     0.62611158    
H    -3.62008564     0.85739849     0.72770747    
H    -2.11424693     0.76591155     1.69326822    
H    -2.23729628     1.09547614    -1.35701229    
H     2.33835609     2.42989724     0.11613074    
014
G12_00706 
F    -3.50633530     1.02543248    -0.30322914    
C    -2.84097766    -0.09146989    -0.00432426    
F    -3.34186175    -0.48643804     1.16716471    
F    -3.27327333    -0.99529983    -0.88489662    
C    -1.40333979     0.07328641     0.00239880    
C    -0.20016017     0.21459026     0.00776094    
C     1.18679126     0.36849370     0.01298300    
N     1.93856114     1.45248195     0.02631860    
N     3.24702820     1.04750122     0.11554263    
C     3.30802869    -0.37164738    -0.00762596    
N     4.33077318    -1.10888679    -0.03801568    
O     1.96034030    -0.79568014    -0.00612511    
H     3.94186553     1.67525864    -0.27532961    
H     4.30024524    -2.11177503    -0.03419667    
027
G12_01376 
C    -3.18608383    -1.70736604     0.56113406    
C    -2.41651399    -0.61533440    -0.10118008    
C    -1.09077443    -0.98531861    -0.71747294    
C     0.09316387    -0.49154424     0.15300168    
C     1.36806952    -1.26184293    -0.22219724    
C     2.56751333    -0.61358249     0.47731184    
O     3.67183170    -1.41331712     0.09434193    
C     2.76272751     0.81999714    -0.02082350    
C     1.47597691     1.60128364    -0.13533341    
O     1.48031861     2.80488937    -0.31411027    
N     0.26507294     0.95381381    -0.03765477    
N    -2.77831061     0.62232374    -0.21004425    
O    -4.01071904     0.89779164     0.35106204    
H    -3.97505028    -1.31711360     1.22541483    
H    -3.68955230    -2.34364547    -0.18307547    
H    -2.54281830    -2.35483854     1.17235320    
H    -1.02673715    -2.08275085    -0.85451946    
H    -1.00607563    -0.55703024    -1.74159476    
H    -0.14713694    -0.67098962     1.23810060    
H     1.28913888    -2.32647038     0.06755181    
H     1.53338824    -1.26659868    -1.31789735    
H     2.47484868    -0.65896490     1.58505381    
H     4.50612131    -1.05865842     0.45480285    
H     3.46338679     1.38235479     0.62961258    
H     3.24849240     0.80755084    -1.02382352    
H    -0.59709496     1.48487859    -0.16005122    
H    -4.09407676     1.89036728     0.20558231    
019
G12_01429 
C    -3.87880197     0.23863671    -1.02769767    
C    -2.78098207    -0.14561795    -0.20223422    
C    -1.84643154    -0.46481810     0.50054568    
C    -0.72877106    -0.82794033     1.32501551    
N     0.50415683    -0.89785351     0.52290064    
N     1.01259751    -2.08234724     0.16527778    
C     2.07618853    -1.83785827    -0.65905591    
C     2.23409532    -0.44417888    -0.84778425    
C     1.20849894     0.14108378    -0.08252196    
N     0.92375775     1.53025394     0.10354648    
O     1.50823848     2.32671304    -0.60933540    
O     0.12023416     1.84413388     0.96944055    
H    -4.85020445    -0.07573508    -0.60128110    
H    -3.92818747     1.33721500    -1.16388570    
H    -3.81299040    -0.20739265    -2.03886121    
H    -0.56878672    -0.07431486     2.15018554    
H    -0.89158682    -1.82941278     1.81655698    
H     2.66286961    -2.64306065    -1.06454042    
H     2.97150364     0.06467873    -1.43588184    
017
G12_01618 
C     1.67868885     2.22110077    -0.00003576    
C     1.29355018     0.80806654    -0.00001564    
C     2.09137234    -0.37192227    -0.00002575    
O     3.42703123    -0.37089855     0.00000547    
N     1.33968313    -1.51719170    -0.00004276    
C     0.04246184    -1.11533464    -0.00004564    
C    -1.20510191    -1.79458048    -0.00003894    
N    -2.33957586    -1.11192370     0.00000361    
C    -2.24482101     0.26531513     0.00004212    
F    -3.38874943     0.91135237     0.00008573    
N    -1.14188419     1.02915903     0.00001869    
N     0.00156678     0.32269375    -0.00000865    
H     1.28795406     2.75644626     0.88437696    
H     2.77619311     2.33952033     0.00077654    
H     1.28931941     2.75601640    -0.88530943    
H     3.77338194    -1.31493718     0.00003545    
H    -1.25044680    -2.89590007    -0.00004720    
021
G12_01821 
C    -3.85551407    -1.16515755    -0.16293058    
C    -2.82392230    -0.53363908    -0.08061545    
C    -1.63600144     0.18286841     0.00864712    
C    -0.32171957    -0.15622885     0.23467534    
C     0.26299525    -1.49194217     0.47318849    
O     1.38203288    -1.74714863    -0.35072666    
C     2.58220097    -1.10285525     0.03051348    
C     2.64256657     0.32622942    -0.51447221    
C     1.85261181     1.31338635     0.35182053    
C     0.39509643     1.10546396     0.18374051    
N    -0.47226291     2.08758266    -0.05012370    
O    -1.73071355     1.56243524    -0.15914612    
H    -4.73244349    -1.70310927    -0.23292326    
H     0.52596299    -1.63550630     1.54141755    
H    -0.42778381    -2.30884038     0.16468466    
H     2.72659187    -1.14305153     1.12238971    
H     3.33973935    -1.74992935    -0.45717850    
H     3.69661587     0.65345395    -0.59017122    
H     2.24698628     0.33505182    -1.55251601    
H     2.12918227     1.20502335     1.42343537    
H     2.12874899     2.35893638     0.08315011    
026
G12_02221 
C     3.40513978    -0.44207059    -0.05975602    
N     2.04463312     0.05425537    -0.04009262    
C     1.69399828     1.40622620     0.05838719    
C     0.30065311     1.46101555     0.06580688    
O    -0.34309331     2.64205531     0.14658741    
C    -0.22793799     0.14184661    -0.00504992    
C     0.89678357    -0.71356118    -0.05333383    
N     0.95436064    -2.10798223    -0.22065033    
C    -1.63490338    -0.32580711     0.01889352    
C    -2.06649929    -0.75664499     1.42630460    
C    -2.62150559     0.68057314    -0.59150720    
O    -1.73527094    -1.53461851    -0.74239239    
H     3.48347313    -1.33298106    -0.71512307    
H     4.09426970     0.32703545    -0.45442139    
H     3.74330967    -0.72047478     0.95555456    
H     2.40876234     2.19448219     0.10961965    
H    -1.32306342     2.50462266     0.20812798    
H     0.02729481    -2.50907416    -0.35844760    
H     1.46496625    -2.59891434     0.49588854    
H    -1.98436320     0.07341549     2.13410228    
H    -3.09929795    -1.12329940     1.42591736    
H    -1.43277471    -1.57228552     1.79270406    
H    -2.22636213     1.11904007    -1.51518484    
H    -3.56340299     0.17414990    -0.84505311    
H    -2.86851717     1.48659935     0.10624923    
H    -1.49676485    -1.37174238    -1.67539590    
019
G12_02370 
C     3.09403610     0.83477898    -0.00209744    
C     2.44914541    -0.51280195    -0.00036336    
N     3.16228182    -1.57165459    -0.00423244    
N     1.02033940    -0.59846268     0.00765941    
C     0.08030920     0.39361027     0.00280991    
C    -1.33657464     0.19201882     0.00012564    
C    -1.91393765     1.51038653    -0.00195255    
N    -0.94393545     2.42945703    -0.00087160    
N     0.26328486     1.76391804     0.00221383    
N    -2.00981036    -1.03904304    -0.00056878    
O    -3.22637539    -1.05693842    -0.00326488    
O    -1.31839346    -2.06270096     0.00150257    
H     4.20048641     0.72439774    -0.00414401    
H     2.85348069     1.41182504    -0.90603993    
H     2.85679664     1.41253653     0.90228278    
H     2.79168497    -2.50373156    -0.00318190    
H     0.59801452    -1.55386997     0.00754166    
H    -2.96777486     1.75634146    -0.00414275    
H     1.10207399     2.30931357     0.00344688    
017
G12_02417 
C    -3.86076656     0.28915453    -1.01604748    
C    -2.77696622    -0.20946637    -0.23367730    
C    -1.85104133    -0.62457674     0.42891109    
C    -0.75050303    -1.10585892     1.21176547    
C     0.50175443    -1.03280561     0.42094589    
N     1.21082480    -2.04904165    -0.04765151    
O     2.27736261    -1.54845178    -0.75019963    
N     2.25716260    -0.19947656    -0.74651608    
C     1.19779390     0.18557824    -0.04107829    
N     0.81628666     1.55688583     0.22936883    
O     0.98283611     2.37789474    -0.64570905    
O     0.34137094     1.77525834     1.32894250    
H    -4.80455976    -0.25001727    -0.81004060    
H    -4.05314244     1.36190357    -0.81905755    
H    -3.66669213     0.19267970    -2.10161072    
H    -0.64315123    -0.49992457     2.15601179    
H    -0.93944326    -2.15732410     1.56102295    
032
G12_02510 
C     2.37448979     1.80288868     0.47327920    
C     2.27081036     0.61211938    -0.48939654    
C     3.63058123    -0.09452653    -0.55306536    
C     1.12898992    -0.38935360    -0.10372592    
C     1.05858988    -1.50589477    -1.16363897    
N     1.40353789    -1.03113259     1.19792785    
C    -0.22724168     0.39812808    -0.09419940    
C    -1.45382197    -0.47753180     0.22021198    
N    -1.59414465    -0.69446152     1.67218082    
C    -2.72420437     0.16423645    -0.37175225    
N    -3.01672077     1.47100790     0.05401346    
N    -3.47341238    -0.55593032    -1.12537228    
H     1.45780319     2.39858726     0.49809815    
H     2.59990805     1.48286290     1.49582674    
H     3.18367815     2.47732093     0.16659186    
H     2.03046579     1.00601242    -1.50711834    
H     3.82056394    -0.67332444     0.36089577    
H     3.68183220    -0.79641399    -1.39193337    
H     4.44985675     0.62028167    -0.67320749    
H     1.98156457    -2.10038265    -1.15460682    
H     0.24769589    -2.21393344    -0.95499322    
H     0.91189395    -1.10314783    -2.16785065    
H     1.80550896    -0.38989192     1.86128675    
H     0.54731065    -1.39849374     1.59812049    
H    -0.15397159     1.21521875     0.64521993    
H    -0.35615850     0.87018537    -1.08534389    
H    -1.33096905    -1.49254195    -0.26342001    
H    -1.82506711     0.15241337     2.16664963    
H    -2.29555836    -1.39234433     1.87721343    
H    -2.28624870     2.03932573     0.42877991    
H    -3.74144988     1.98335908    -0.40626626    
H    -4.32300628    -0.20983004    -1.52814530    
022
G12_03424 
C    -2.88639555     0.08457491     1.30872449    
C    -2.04509315    -0.02867241     0.04084818    
C    -2.64434303    -0.94865689    -1.01715702    
O    -1.93016086     1.21852634    -0.59347068    
C    -0.65678697    -0.56505085     0.43153894    
O    -0.50995227    -1.65012406     0.92478300    
C     0.55113292     0.29359401     0.16608288    
N     0.60235065     1.46622205     0.69006029    
O     1.76870747     2.14201951     0.42161816    
C     1.59857762    -0.37063041    -0.69217883    
O     1.43050287    -0.50886311    -1.87634111    
C     2.74625161    -0.82089128     0.01922878    
C     3.72184393    -1.21394328     0.61906417    
H    -3.03207888    -0.89569735     1.78236920    
H    -2.42653488     0.74515820     2.05295826    
H    -3.87934673     0.49256819     1.07826542    
H    -3.66412422    -0.63519139    -1.27520141    
H    -2.06030323    -0.90918273    -1.94966271    
H    -2.67827963    -1.99046506    -0.67654645    
H    -1.61323105     1.91368901     0.02273240    
H     1.63370807     3.02334283     0.89507057    
H     4.55329760    -1.54870185     1.13275782    
021
G12_03469 
C    -1.16969728    -1.86399189    -0.62546040    
C    -1.18457204    -0.34563315    -0.38824929    
C    -2.22363543     0.29728944    -1.33032213    
C    -1.55524325    -0.07376664     0.97912497    
C    -1.87921757     0.14934629     2.12345297    
C     0.21392100     0.28804254    -0.71772556    
C     0.20640041     1.70082804    -0.45846198    
C     0.20140880     2.89154431    -0.24235258    
C     1.37690561    -0.34565824     0.07815550    
F     1.76773774    -1.53597160    -0.37830749    
F     2.49134840     0.38542436     0.04321781    
F     1.14459444    -0.53764678     1.37198158    
H    -0.72117066    -2.12584968    -1.58900402    
H    -0.62953478    -2.40413007     0.16208441    
H    -2.19117500    -2.26746635    -0.62133545    
H    -3.23293193    -0.07137604    -1.11009404    
H    -2.25009062     1.38835458    -1.21633811    
H    -2.01070298     0.07265684    -2.37999983    
H    -2.14689227     0.33914169     3.09814483    
H     0.40758797     0.10880045    -1.81860132    
H     0.20010261     3.90397870    -0.05466243    
024
G12_03650 
C    -2.05684962    -1.11690720    -1.17294162    
C    -1.98066590    -0.13101036     0.00459500    
C    -2.40873100     1.27682814    -0.45265470    
C    -2.91321355    -0.60853865     1.13656331    
N    -0.60752095    -0.15175797     0.57468696    
C     0.46857861     0.30772736    -0.31059017    
C     0.84041409     1.69012634    -0.13471876    
C     1.14213338     2.85203967     0.01610465    
C     1.71189934    -0.58793230     0.01905676    
F     1.51798648    -1.88720915    -0.17731921    
F     2.76819191    -0.29065827    -0.73896076    
F     2.15152772    -0.48103074     1.26856387    
H    -1.55180925    -0.74282190    -2.06791727    
H    -1.59116217    -2.07610036    -0.90428214    
H    -3.09664130    -1.32001133    -1.44827912    
H    -3.43613718     1.27002848    -0.83111329    
H    -2.36824399     1.99791619     0.36983461    
H    -1.76907163     1.65810891    -1.25477218    
H    -2.59055312    -1.58663589     1.51934848    
H    -2.92740600     0.08819849     1.98011871    
H    -3.94184977    -0.71481817     0.77914017    
H    -0.56848901     0.30771590     1.48396695    
H     0.18673931     0.11551770    -1.39277335    
H     1.40520352     3.84057180     0.14318269    
023
G12_03774 
C    -1.67766626     1.72734401    -0.62685621    
C    -1.04414413     0.46738084    -0.03518830    
O    -1.03207591     0.54595492     1.37293531    
C    -1.86855606    -0.77466848    -0.45714633    
O    -3.21111323    -0.41757242    -0.15714465    
C     0.45780417     0.36643022    -0.40336844    
C     1.23231143     1.52100154     0.27430627    
O     2.33330801     1.86083683    -0.53309654    
C     1.07147314    -0.96864102     0.02257245    
F     0.74608019    -1.99849053    -0.76389644    
F     2.40603359    -0.98472400     0.00264106    
F     0.76024770    -1.37089410     1.25072004    
H    -1.26560396     2.63984058    -0.17941313    
H    -1.54066600     1.78656511    -1.71107401    
H    -2.76268055     1.75150476    -0.43847703    
H    -1.95053526     0.50770349     1.72255988    
H    -1.78346242    -0.98137746    -1.53651603    
H    -1.61425442    -1.67025274     0.13488108    
H    -3.79704296    -1.19220004    -0.26513082    
H     0.56956296     0.48903044    -1.51486970    
H     0.63473799     2.45556301     0.28765699    
H     1.53464999     1.28959137     1.30913996    
H     3.13818706     1.36396363    -0.29241937    
026
G12_03922 
C    -1.31535368    -0.30206137     1.57135520    
C    -1.10044973    -0.15141418     0.06418947    
C    -1.46714302    -1.46553620    -0.63371897    
C    -2.06234850     0.94603909    -0.47783665    
O    -3.37059717     0.50253277    -0.14869229    
C     0.33847865     0.30889270    -0.31261282    
C     0.76133815     1.59332618     0.44453361    
N     1.33517576     2.54393456    -0.53369035    
C     1.41377174    -0.76938627    -0.12359061    
F     1.36105395    -1.78356698    -0.98700917    
F     2.66020000    -0.31137340    -0.28758965    
F     1.45682776    -1.35352180     1.07169336    
H    -0.88593327    -1.22856762     1.96643410    
H    -0.90507180     0.52818574     2.15020069    
H    -2.39387608    -0.34766762     1.79628323    
H    -2.55301238    -1.64206493    -0.56074974    
H    -1.22055007    -1.45853436    -1.69940211    
H    -0.99085216    -2.33629979    -0.17184859    
H    -1.89558191     1.92407740     0.00397001    
H    -1.98088969     1.05106195    -1.57311303    
H    -4.03370723     1.11383740    -0.51969544    
H     0.31612338     0.56080842    -1.41597909    
H    -0.12964559     2.08110324     0.90440887    
H     1.44145894     1.36739346     1.29250771    
H     1.42511921     3.46961862    -0.14830365    
H     2.23581772     2.24802498    -0.87463972    
022
G12_03976 
C    -3.23569584    -2.04906148     0.07904433    
C    -2.54549506    -1.05304912     0.03884623    
C    -1.75273072     0.08664036    -0.00851107    
C    -0.35175018     0.16860622     0.09468862    
N    -0.02873358     1.50996897    -0.01577163    
N    -1.13271100     2.27913418    -0.17401209    
C    -2.19488372     1.44235940    -0.17688370    
C     0.67673252    -0.88257798     0.26081131    
C     1.49688956    -1.05073397    -1.04283519    
C     2.78684776    -0.25421285    -0.78424867    
O     2.69281812     0.31354693     0.52281696    
C     1.75658578    -0.44809577     1.27595230    
H    -3.82345271    -2.89072691     0.11325230    
H     0.88610033     1.92219664     0.03692793    
H    -3.20428672     1.79347089    -0.29164719    
H     0.19364839    -1.84127134     0.56013604    
H     1.70718693    -2.11408905    -1.24134776    
H     0.94590649    -0.68128205    -1.92318260    
H     3.69071656    -0.88358492    -0.80697894    
H     2.91732735     0.61225948    -1.45087540    
H     1.40366042     0.23308013     2.06475342    
H     2.27530039    -1.30886198     1.72809866    
025
G12_04246 
C    -2.59691970    -2.24157247    -0.00004843    
C    -1.76961470    -1.00702631    -0.00004577    
N    -2.31738181     0.18356510    -0.00005923    
C    -1.50905992     1.32526565    -0.00001924    
N    -1.80982910     2.55860781     0.00001119    
O    -0.10842644     1.13224206     0.00001460    
C     0.37887293    -0.13122916     0.00002469    
N    -0.37639684    -1.19352344    -0.00002850    
C     1.89882821    -0.10848042     0.00006550    
C     2.44012794    -1.53934331    -0.00014369    
C     2.34712069     0.63708780    -1.26216586    
C     2.34703112     0.63685305     1.26246042    
H    -2.37632182    -2.86439147     0.88450423    
H    -3.67666864    -2.01542921     0.00032551    
H    -2.37688231    -2.86402755    -0.88499726    
H    -2.76672603     2.87151608    -0.00002340    
H     2.09820857    -2.10226688    -0.87914270    
H     3.53516019    -1.54863200    -0.00008142    
H     2.09810272    -2.10263760     0.87856239    
H     1.95867391     1.66588311    -1.28591603    
H     3.44070945     0.70116591    -1.31179101    
H     2.00663236     0.13490089    -2.17522342    
H     2.00649745     0.13449973     2.17540123    
H     3.44060715     0.70097387     1.31216046    
H     1.95854251     1.66563258     1.28636096    
033
G13_00030 
C    -2.74241556    -0.08820445     1.06656151    
C    -1.88350255    -0.11241385    -0.20350445    
C    -2.64683581    -0.85935733    -1.31297752    
C    -1.67673929     1.34631347    -0.71287931    
N    -0.77651888     2.12547467     0.16346403    
C     0.64568893     1.95193123    -0.18917040    
C     1.29486529     0.88875639     0.75478330    
C     0.29298838    -0.19499231     1.19268103    
C    -0.50414522    -0.80694235     0.01607551    
N    -0.69609547    -2.26658713     0.19668607    
N     2.49621397     0.44159751     0.06919723    
C     2.80630417    -0.79741910    -0.11215697    
N     4.07889084    -1.07067680    -0.64516531    
H    -2.32698090     0.60743883     1.80921248    
H    -3.76095801     0.25135447     0.84913527    
H    -2.82150825    -1.07521361     1.52860799    
H    -3.58630763    -0.36209159    -1.56571673    
H    -2.04702531    -0.95018307    -2.22455892    
H    -2.88513028    -1.88524449    -1.00151576    
H    -1.31510641     1.31571354    -1.76414584    
H    -2.66884929     1.84832218    -0.73548482    
H    -1.03411128     3.10933640     0.15945636    
H     0.79581381     1.64731136    -1.24743651    
H     1.19357993     2.90972598    -0.06436599    
H     1.64868155     1.41992199     1.68498367    
H     0.81849352    -0.97600080     1.76715982    
H    -0.40885368     0.27254345     1.91618690    
H     0.08728569    -0.68756102    -0.93072969    
H     0.17556482    -2.73370835     0.37928105    
H    -1.33926170    -2.47558790     0.94212892    
H     2.23148681    -1.69632671     0.15485540    
H     4.15483281    -1.86233103    -1.25193369    
H     4.61340472    -0.27460345    -0.95354222    
021
G13_00325 
C    -3.73456192     2.20283491    -0.06816732    
C    -2.95955255     1.27024446    -0.06127305    
C    -2.06667560     0.21181384    -0.05030695    
C    -0.74106437     0.03504030     0.21294485    
O     0.33984631     0.74592728     0.58638435    
C     1.46902794    -0.19675922     0.59875066    
C     0.94963769    -1.64047291     0.28954630    
C    -0.47998859    -1.39373136     0.01848872    
N    -1.59211945    -1.99919661    -0.33569278    
O    -2.59216410    -1.05890543    -0.38936509    
C     2.41660201     0.30281579    -0.46467045    
C     3.33788827     1.46750558    -0.15612616    
N     3.87410254     0.10526989    -0.33282010    
H    -4.39124631     2.99685263    -0.07347992    
H     1.86064905    -0.10644398     1.63126635    
H     1.47957717    -2.09758401    -0.57077275    
H     1.10863588    -2.32619293     1.14387625    
H     2.02687227     0.18777819    -1.49004446    
H     3.59681151     2.17997138    -0.94531036    
H     3.31700879     1.95067936     0.81875034    
H     4.19877738    -0.36626981     0.50200313    
024
G13_00561 
C     2.82229558     2.06893719     0.61137895    
C     1.55771385     1.33884595     0.94274470    
O     0.45296010     1.56765235     0.06530765    
C     1.03013134     0.25254455     0.04180474    
C     1.67761760    -0.12300265    -1.16539024    
C     2.21758462    -0.44940305    -2.19837205    
C     0.14848739    -0.82185110     0.63318593    
C     0.75674953    -2.10954607     1.09136404    
O     0.39364813    -1.09057706     2.02394328    
C    -1.20850763    -0.73659039     0.23107311    
C    -2.35934160    -0.61592350    -0.12797012    
C    -3.71501813    -0.41224321    -0.57268833    
N    -3.89618424     0.85398416    -1.31876946    
H     2.94747465     2.20568870    -0.47360875    
H     2.83146866     3.07242124     1.06108233    
H     3.70395962     1.52750872     0.97999022    
H     1.28409450     1.30949533     2.00686332    
H     2.67604738    -0.72759825    -3.07693176    
H     0.15886395    -3.01737835     1.13975805    
H     1.82486886    -2.28585439     0.98567225    
H    -4.06034648    -1.25493532    -1.22591224    
H    -4.42255363    -0.39848272     0.29909901    
H    -3.60070877     1.64733568    -0.76840056    
H    -3.36555074     0.85426989    -2.17673824    
025
G13_00633 
N    -0.64485263     2.45305511     0.78470336    
C    -0.28625172     1.63310448    -0.38744863    
C     1.21834341     1.69717651    -0.60190245    
O     2.00895578     1.47404694     0.56822122    
C     2.05291138     0.46872905    -0.44999363    
C     1.39940161    -0.83044576    -0.09231222    
C     2.10774756    -2.13081753    -0.47370933    
C     2.07909419    -1.70229958     0.96670703    
N    -0.02500365    -0.88983322    -0.12770365    
C    -0.75321086     0.17081470    -0.24323802    
N    -2.14759764     0.03637840    -0.19616877    
C    -2.76105329    -1.22533529    -0.01800532    
N    -4.01743218    -1.26303105    -0.29853964    
H    -1.54330921     2.18594865     1.16081870    
H     0.04998462     2.37938475     1.51745657    
H    -0.80260770     2.08934970    -1.28088591    
H     1.55549062     2.53858607    -1.21614025    
H     3.01841911     0.39143698    -0.96124943    
H     1.49824575    -2.97637942    -0.79347189    
H     3.03075650    -2.09242817    -1.04220182    
H     2.97833507    -1.33503585     1.45268384    
H     1.45467979    -2.24192839     1.67725894    
H    -2.72740084     0.78201791    -0.57954254    
H    -2.09597439    -2.01873522     0.36351199    
H    -4.55236948    -2.09889755    -0.14787388    
021
G13_00930 
C    -4.16460866     0.76564670     0.34090441    
C    -3.06622170     0.27654963     0.18298013    
C    -1.80626331    -0.26993847     0.00232670    
C    -0.53138507     0.24757466    -0.12809067    
O    -0.27244968     1.56138401    -0.06070366    
C     1.03563810     1.95737187    -0.47861357    
C     2.10145230     1.38510645     0.45837203    
N     2.68559009     0.16445238    -0.10901814    
C     2.70872381    -1.05368574     0.72172239    
C     1.79021864    -0.95489662    -0.48267696    
C     0.33702739    -0.90758400    -0.28463792    
N    -0.41838995    -2.00509028    -0.24654884    
O    -1.72037097    -1.66457432    -0.06883509    
H    -5.09676413     1.18328795     0.47497338    
H     1.19716253     1.67293620    -1.53435382    
H     0.95025619     3.05912855    -0.40009701    
H     2.95318818     2.10224093     0.56171906    
H     1.67621155     1.25460792     1.47855610    
H     3.62843199    -1.64212993     0.66299014    
H     2.29260726    -1.06623488     1.72866924    
H     2.08259721    -1.45997662    -1.42485517    
020
G13_00963 
C     4.55893820     0.33350947    -0.02310186    
C     3.37418109     0.07510363    -0.01274175    
C     2.01945561    -0.20977862    -0.00114799    
C     0.85447340     0.49858675    -0.01719994    
O     0.42117033     1.77275351    -0.05083317    
C    -1.04461194     1.70012541    -0.04550375    
C    -1.50272547     0.22142903    -0.00308209    
C    -2.57168048    -0.16277045     1.05731995    
O    -3.53023535    -0.50969359     0.02326252    
C    -2.57782134    -0.22113966    -1.03413057    
C    -0.22031269    -0.49699746     0.01306962    
N     0.30137577    -1.70476769     0.04458888    
O     1.66562210    -1.58145973     0.03735516    
H     5.56537843     0.55544176    -0.03196476    
H    -1.34458165     2.27258649     0.84562755    
H    -1.34868200     2.22174177    -0.96596938    
H    -2.34262295    -1.04955914     1.65885646    
H    -2.96930128     0.65078499     1.66833419    
H    -2.97913621     0.55701994    -1.68734081    
H    -2.35203003    -1.14018401    -1.58649492    
026
G13_00977 
C    -0.56439783     2.99259149    -0.05504973    
N    -0.68716238     1.55855972     0.27966025    
C    -0.00513079     0.69757939    -0.69345129    
C     1.56294407     0.67340557    -0.53459256    
O     1.85622558     0.71218224     0.85691754    
C     1.82223746    -0.61696789     1.40086841    
C     1.92887784    -1.57158144     0.22682926    
C     1.98131544    -0.71486854    -1.02622345    
C     0.77330991    -1.61243351    -0.77388658    
C    -0.41762009    -0.75921140    -0.52168106    
C    -1.62673734    -1.23481520    -0.22186449    
C    -2.80774950    -0.38088077     0.02741716    
O    -3.72022030    -0.77720516     0.71475900    
H    -1.12890589     3.57119293     0.69768388    
H     0.47019724     3.36653926    -0.07184091    
H    -1.02716965     3.18870584    -1.03573870    
H    -0.31987493     1.37949800     1.21933700    
H    -0.26572993     1.02513732    -1.73198834    
H     2.08135088     1.53774504    -0.96531488    
H     2.68834242    -0.65861800     2.08183457    
H     0.88149678    -0.71904756     1.96752580    
H     2.53678393    -2.45917291     0.37022611    
H     2.68076063    -0.82251760    -1.83383004    
H     0.60016602    -2.53050885    -1.33377351    
H    -1.81136595    -2.30536750    -0.11180896    
H    -2.84092972     0.61500740    -0.43444255    
035
G13_01238 
C     4.42425998    -0.80225116     0.13822133    
C     3.46103328     0.33189662     0.00972569    
N     3.80070826     1.55167872    -0.12351519    
O     2.19720124    -0.19433458     0.06634118    
C     1.09334269     0.69429098    -0.04055942    
C    -0.16425294    -0.24475872    -0.06396193    
C    -0.06619048    -1.11303211    -1.32750488    
C    -0.13351829    -1.11749772     1.19941353    
N    -1.30810026     0.69190458    -0.15629503    
C    -2.71311300     0.24845231     0.02496760    
C    -3.10514569     0.13009835     1.51763089    
C    -3.56223811     1.38059519    -0.61053209    
C    -3.04083439    -1.06684829    -0.69146113    
H     5.46475334    -0.43696538     0.14191881    
H     4.25659350    -1.36285932     1.07035822    
H     4.31586012    -1.51062278    -0.69707202    
H     3.14653759     2.30261708    -0.21024905    
H     1.09111824     1.36438871     0.83319237    
H     1.16127776     1.27269809    -0.97740160    
H     0.96656462    -1.44649220    -1.49170120    
H    -0.68341646    -2.01266957    -1.26482274    
H    -0.38304394    -0.54802763    -2.21339739    
H    -0.20032291    -0.51674673     2.11090542    
H    -0.95124623    -1.84442993     1.20946270    
H     0.80522745    -1.68620926     1.25035984    
H    -1.15051161     1.50720067     0.43955339    
H    -2.85728692     1.03898323     2.07246202    
H    -4.18186432    -0.03452828     1.62365342    
H    -2.59859174    -0.70693251     2.00470369    
H    -3.26443893     1.53911562    -1.65448691    
H    -4.62585515     1.13350552    -0.59310186    
H    -3.42672161     2.33067129    -0.08674545    
H    -2.52675405    -1.92087344    -0.24022016    
H    -4.11563206    -1.27400491    -0.65040130    
H    -2.75477951    -1.01682708    -1.74948981    
031
G13_01907 
O     5.05617999     0.43363724    -1.29998434    
C     3.90177227     0.70346031    -0.52964125    
C     3.08912880    -0.57348669    -0.31311055    
C     1.79251607    -0.25133256     0.44529558    
N     1.09805860    -1.52362162     0.75882365    
C    -0.17544018    -1.29808014     1.47923655    
C    -1.28949673    -0.82925970     0.58676699    
C    -2.04103388    -1.73266204    -0.09583022    
N    -3.00010725    -1.38283666    -1.02910720    
C    -3.46133953     0.01602353    -1.05292976    
C    -2.28294351     0.97726710    -0.83750850    
C    -1.52665197     0.59977987     0.41222756    
N    -1.07505595     1.44036324     1.29139017    
O    -1.36185685     2.76040582     0.97065210    
H     5.59987930    -0.25898577    -0.87968544    
H     4.20834631     1.17178627     0.42214454    
H     3.36446004     1.44542473    -1.15031607    
H     2.86645769    -1.04695711    -1.28786286    
H     3.67657807    -1.32110197     0.25426455    
H     2.02152725     0.25758742     1.40834919    
H     1.16192232     0.44872818    -0.14355422    
H     0.92716647    -2.05335852    -0.09522941    
H    -0.43745103    -2.26354293     1.97237288    
H    -0.00263104    -0.57807467     2.31391620    
H    -1.86907121    -2.81294583     0.00715278    
H    -3.69451302    -2.06980785    -1.28122998    
H    -3.93568228     0.20805973    -2.04235694    
H    -4.23574289     0.18925455    -0.26927257    
H    -1.58465116     0.93876650    -1.70172350    
H    -2.65266439     2.02243188    -0.79437329    
H    -0.97854177     3.25327444     1.75577824    
027
G13_02200 
C    -3.24126184    -1.59407743     0.56248463    
C    -2.54686744    -0.46802586    -0.19564664    
C    -1.87859801     0.58146386     0.79177993    
C    -0.55615182     0.88406544     0.12785947    
C    -0.30554929     2.29658319    -0.45333354    
O     0.97927475     2.38922131     0.23203737    
C     0.86820635     1.04338652     0.74454709    
C     1.78376586     0.09759585    -0.08644221    
C     2.35968833    -1.01402220     0.81044341    
O     3.09783425    -1.83032507    -0.08365589    
N     0.94440784    -0.46716674    -1.18484962    
C    -0.39038903    -0.31202261    -0.81371752    
N    -1.44333525    -1.03909056    -1.01018181    
H    -2.54372188    -2.14046528     1.20827966    
H    -4.06089012    -1.21576122     1.18015102    
H    -3.65471427    -2.33163778    -0.14138971    
H    -3.26619000     0.05011866    -0.87240726    
H    -2.51744886     1.46601520     0.91331143    
H    -1.75225922     0.14467581     1.79400998    
H    -0.15056047     2.35174245    -1.53593601    
H    -0.96092535     3.09040186    -0.08893449    
H     1.01560838     1.03942056     1.82284241    
H     2.61162873     0.67897789    -0.57197354    
H     3.03928544    -0.60342842     1.57797967    
H     1.56809071    -1.61832777     1.28708961    
H     3.47679368    -2.59744191     0.38962869    
H     1.25329786    -1.36414125    -1.54689016    
031
G13_02232 
C     4.78283178     0.27322036    -0.21140536    
C     3.44828217     0.09031611     0.50391396    
C     2.28925476     0.19636952    -0.49295899    
O     1.12999573     0.02673819     0.31504369    
C    -0.07120569     0.01054689    -0.41609667    
C    -0.39440637    -1.41176480    -0.97883085    
C    -1.60786296    -1.74679191    -0.09686419    
C    -1.10394381    -1.23116881     1.35379127    
C    -1.21534352     0.15329224     0.66422997    
C    -1.61542604     1.58998868     0.88943285    
C    -2.41852501     1.83440515    -0.39763878    
C    -2.81228399     0.69519630    -1.00653538    
C    -2.48839141    -0.45338707    -0.10964254    
H     4.93647806    -0.49091091    -0.98189688    
H     4.84967340     1.25334989    -0.69737853    
H     5.62063919     0.20042108     0.49203877    
H     3.40730144    -0.88889079     1.01916220    
H     3.32087072     0.84721920     1.30248600    
H     2.25072145     1.18529824    -0.98076856    
H     2.32973085    -0.59386176    -1.26098657    
H    -0.08175952     0.80119602    -1.18005664    
H    -0.63821501    -1.39768164    -2.04649149    
H     0.44041576    -2.10898821    -0.83142460    
H    -2.06820669    -2.71466461    -0.19121434    
H    -1.79628512    -1.42359834     2.16832649    
H    -0.10476676    -1.54802787     1.64813066    
H    -2.23969887     1.73432055     1.78638733    
H    -0.75583937     2.27202945     0.98563593    
H    -2.58506341     2.84090322    -0.72578421    
H    -3.34228866     0.58186314    -1.92967159    
H    -3.38240245    -0.63461638     0.52319982    
031
G13_02656 
O    -2.74728212    -1.90106467     0.46495285    
N    -1.67084782    -1.68910292    -0.38792908    
C    -1.02857505    -0.59959211    -0.11501409    
C    -1.38824784     0.35823473     0.98037565    
C    -0.42293248     1.55438491     1.06073421    
C     0.91594258     1.10877245     1.69373645    
C     1.94399376     0.54793608     0.69899220    
C     1.43115109    -0.58590730    -0.16441985    
C     2.47698093    -1.49036477    -0.80203184    
C     1.62221961    -2.01169130     0.32379644    
C     0.17516666    -0.28507140    -0.98075608    
C     0.16503312     1.17216886    -1.40763912    
C    -1.12654434     1.95758222    -1.45821807    
C    -0.16836192     2.16616478    -0.30501399    
H    -3.12360497    -2.76362857     0.11828999    
H    -2.43016321     0.71716548     0.82936615    
H    -1.41670918    -0.18178329     1.95190084    
H    -0.88709417     2.32673844     1.72290553    
H     1.37080334     1.97137465     2.21850185    
H     0.71638599     0.35077577     2.47547557    
H     2.31019099     1.36453018     0.04213836    
H     2.83633071     0.21327511     1.26806937    
H     2.32615838    -1.86542635    -1.80977725    
H     3.53099433    -1.29338657    -0.63532954    
H     2.05744186    -2.19172175     1.30100803    
H     0.85361693    -2.75469343     0.11767540    
H     0.15491975    -0.93180522    -1.89834374    
H     0.94592007     1.40378142    -2.13540337    
H    -1.23892305     2.74310279    -2.20062975    
H    -2.07964392     1.45960002    -1.30952728    
H     0.37333857     3.11350314    -0.25111590    
026
G13_02721 
C     1.35684523    -2.58867788     0.50527379    
O     0.99790961    -1.29454774     0.95721637    
C     0.41879524    -0.47429162    -0.03897795    
C    -1.01920291    -0.16233188     0.48383957    
C    -1.32471275     1.34681316     0.46511996    
C    -0.74038861     1.99272071    -0.83641878    
C     0.58632566     2.09263464    -0.00422392    
N    -0.20759782     1.96704442     1.27981059    
C     1.29962292     0.76507602    -0.16320671    
N     2.55651489     0.80783898    -0.43659589    
O     3.13694359    -0.42975384    -0.63106610    
C    -2.04177964    -0.92017258    -0.30202183    
O    -3.29242915    -0.62813445     0.14295154    
O    -1.88156966    -1.69617474    -1.20728111    
H     0.48327197    -3.13352284     0.13345637    
H     2.14101139    -2.53540332    -0.25704398    
H     1.74716150    -3.05929859     1.41710729    
H     0.37890300    -0.98284867    -1.03378920    
H    -1.05593167    -0.50258770     1.56344519    
H    -2.35102012     1.59730507     0.75681432    
H    -0.71790643     1.37484598    -1.73315040    
H    -1.17925123     2.95515846    -1.10250481    
H     1.21820271     2.98064725    -0.11361731    
H    -0.44317979     2.85420576     1.70074791    
H     4.09812354    -0.18993981    -0.80487101    
H    -4.00641106    -1.11761114    -0.33592918    
028
G13_03139 
C     1.21495014     1.59643486    -1.39634541    
C     0.57667887     1.47519705    -0.02489751    
N     1.27377931     2.32375825     0.93714377    
C    -0.98727240     1.60796986    -0.05407864    
C    -1.14556490     0.13257619     0.42210698    
C    -1.85085371    -0.02294163     1.75769480    
C    -1.78371673    -0.76751068    -0.64591641    
N    -3.23701651    -0.48371190    -0.73769107    
C     0.41350686     0.02443495     0.58168509    
C     1.17640518    -1.12817783    -0.02492840    
F     1.04008985    -1.35025229    -1.33216594    
F     2.49799185    -1.04235444     0.13812078    
F     0.86450821    -2.30848849     0.52056988    
H     0.69090765     1.00505384    -2.15564088    
H     1.20600317     2.63481457    -1.75239485    
H     2.26594154     1.27094118    -1.38323358    
H     1.67155827     3.15480361     0.53786316    
H     0.72484742     2.55467499     1.74627400    
H    -1.39584131     2.34755233     0.63620135    
H    -1.40124450     1.82215753    -1.03951447    
H    -2.93443460     0.14868328     1.65122402    
H    -1.74137230    -1.04319351     2.14833277    
H    -1.47816075     0.67180727     2.51537397    
H    -1.27977908    -0.63099681    -1.62576058    
H    -1.67362737    -1.83770335    -0.35607908    
H    -3.41496218     0.47886481    -0.96960973    
H    -3.68126695    -1.07294049    -1.42260865    
H     0.68390697     0.05594579     1.67055937    
027
G13_03318 
C    -3.54328890    -1.33843318    -0.66211222    
C    -2.16976771    -0.68280796    -0.50566714    
C    -2.27503623     0.50302987     0.48592396    
N    -1.42331001     1.62979563     0.11575041    
C    -0.04904231     1.66343664     0.27316774    
O     0.54658107     2.64378663    -0.12462136    
C     0.64664797     0.50520736     0.94965729    
C     0.95594289    -0.54856899    -0.07895340    
N     2.18144986    -0.44276700    -0.79420207    
C     3.42819387    -0.22474701    -0.18124554    
N     3.53703380    -0.15120278     1.09978075    
N     0.19842624    -1.50721478    -0.49578896    
C    -1.15059460    -1.74424575    -0.02271751    
H    -3.91412317    -1.74440821     0.28526830    
H    -4.28967705    -0.62806890    -1.03675218    
H    -3.50903865    -2.16604968    -1.38262140    
H    -1.83568017    -0.29937178    -1.50175187    
H    -3.32744707     0.87168831     0.52625243    
H    -2.03765278     0.17029723     1.52138805    
H    -1.85488332     2.37711144    -0.41388798    
H     1.57910601     0.89185413     1.44045132    
H     0.05995902     0.07904012     1.78693956    
H     2.20574203    -0.98810922    -1.66226357    
H     4.23216284    -0.10854965    -0.93455787    
H     4.41641118     0.07655243     1.52845341    
H    -1.19121513    -1.85736364     1.08289436    
H    -1.43039907    -2.74491053    -0.44213347    
026
G13_03953 
C     3.18611781     0.73478548    -1.11526331    
C     2.45428907    -0.15345370    -0.15664924    
O     2.58347433    -1.49670032    -0.48596226    
C     2.37306186     0.10224274     1.32795361    
C     1.12061466     0.24182005     0.48795715    
C     0.46465985     1.54479579     0.18532187    
C    -0.86297158     1.41605248     0.00694415    
C    -1.29152236     0.00071771     0.23370187    
C    -2.63485169    -0.25248154     0.86902853    
C    -3.69387584    -0.09774547    -0.08653847    
C    -4.58475672     0.03419449    -0.89481092    
N    -0.68678986    -0.96731686    -0.71917928    
C     0.00071688    -0.77152788     0.57986405    
H     3.30703132     1.75504193    -0.73448548    
H     4.19070909     0.33221577    -1.31893382    
H     2.65726390     0.79804731    -2.07770127    
H     1.92263578    -1.72545336    -1.18329166    
H     2.46036455    -0.73920530     2.01305550    
H     2.83872482     0.98325550     1.75664325    
H     1.04668908     2.44565275     0.11223877    
H    -1.57947840     2.17230772    -0.25009947    
H    -2.67069350    -1.26737773     1.33527353    
H    -2.77488714     0.45455107     1.72781550    
H    -5.33945125     0.14596424    -1.58354687    
H    -1.19070793    -1.83826190    -0.83921219    
H     0.08749796    -1.56528303     1.31077866    
029
G13_03960 
C     3.34071362    -0.50655910    -0.99939071    
C     2.19895829    -0.15838340    -0.04636214    
C     2.00899971     1.35470378     0.10400587    
C     0.74240934     1.62153123     0.92497431    
C    -0.41558627     0.93077984     0.27736798    
C    -1.56492045     1.55510273    -0.00076054    
C    -2.71837596     0.90194823    -0.68950754    
C    -2.60999536    -0.62913651    -0.68449148    
C    -1.19634392    -1.06360821    -1.07237639    
C    -0.18551749    -0.51730283    -0.04433232    
O     1.06304826    -0.74471578    -0.67520735    
C    -0.24263203    -1.39173929     1.21437842    
O    -1.09587113    -1.25957921     2.05263723    
H     3.16055836    -0.09133477    -1.99947444    
H     4.29646579    -0.11998909    -0.63443061    
H     3.43182533    -1.59345957    -1.12125310    
H     2.33583581    -0.64374972     0.94524294    
H     2.89254709     1.81316183     0.57946144    
H     1.91334915     1.82322756    -0.89490755    
H     0.86533853     1.26035361     1.96769660    
H     0.56870590     2.71207660     1.01356162    
H    -1.71908555     2.60315641     0.25103824    
H    -3.67237602     1.20817607    -0.21263322    
H    -2.77030215     1.27450155    -1.73542794    
H    -2.86057987    -1.01500464     0.32646591    
H    -3.35113676    -1.07032868    -1.37458649    
H    -1.11842530    -2.16252388    -1.14865565    
H    -0.92647294    -0.67473754    -2.07564793    
H     0.52702164    -2.16882944     1.29739098    
032
G13_04011 
C    -0.70770923     2.73418765     0.12083847    
C    -1.73194637     1.63965228     0.40369086    
C    -1.41736372     0.34613856    -0.38168686    
N    -0.33176411    -0.37510247     0.27291596    
C     0.89280452    -0.24487136    -0.04546277    
O     1.29239104     0.57487920    -1.07481936    
C     2.70867312     0.50865338    -1.25911881    
C     3.27329113    -0.51560677    -0.26449999    
C     2.06808664    -0.94275331     0.59954661    
C     2.20327232    -0.51292936     2.05687190    
C    -2.66547853    -0.59277700    -0.34714963    
C    -2.45014358    -1.84305426    -1.19981466    
O    -2.96142369    -0.96267255     0.97772972    
H    -0.70295519     3.01979662    -0.93718430    
H    -0.91496153     3.63407711     0.70973852    
H     0.30902291     2.40451063     0.36802744    
H    -1.76665332     1.40811982     1.48774457    
H    -2.74770250     1.99276156     0.14334486    
H    -1.18630289     0.59959266    -1.44667989    
H     2.85117945     0.22437926    -2.31411210    
H     3.07588096     1.53362919    -1.08822608    
H     3.71586372    -1.38153390    -0.78389872    
H     4.08138943    -0.08359166     0.34835618    
H     1.91908610    -2.04871959     0.54926993    
H     2.34995305     0.56977331     2.15227337    
H     1.29310426    -0.76238280     2.62348114    
H     3.04617397    -1.01237791     2.54676573    
H    -3.57928060    -0.03906560    -0.65949108    
H    -1.55860636    -2.39423688    -0.87659008    
H    -3.30386714    -2.52435846    -1.09811420    
H    -2.32954382    -1.59793660    -2.25789084    
H    -2.13895941    -1.25774042     1.43028784    
028
G13_04338 
C    -1.85470486     0.53269899     1.98310420    
C    -2.39845074     0.27418901     0.60853288    
C    -1.70456476     0.84401863    -0.63246008    
N    -0.54993039     1.69167303    -0.39724312    
C     0.70850781     1.35381938    -1.10340199    
C     1.82922547     1.28896981    -0.03271060    
C     2.75598980     0.09571705    -0.15734176    
N     2.94670487    -0.65189159     1.10586639    
C     2.21984922    -1.34433069     0.01479209    
C     0.80668339    -1.42169568     0.09836404    
C    -0.38211597    -1.20795563    -0.01515708    
C    -1.66326083    -0.68593038    -0.32761703    
N    -2.52183349    -1.49333177    -1.18473245    
H    -0.75539865     0.63523799     1.97145390    
H    -2.25229389     1.46621243     2.39958279    
H    -2.09800607    -0.28558999     2.67129729    
H    -3.49652713     0.23443303     0.57828374    
H    -2.33767616     1.13522704    -1.48285656    
H    -0.79637671     2.67014074    -0.51979038    
H     0.62724341     0.39494703    -1.65111859    
H     0.95753830     2.12120971    -1.86477709    
H     2.41735122     2.22352317    -0.04126349    
H     1.34466861     1.26421887     0.97747955    
H     3.59637173     0.25030022    -0.84106748    
H     3.87654796    -1.00007981     1.30255594    
H     2.70819084    -2.18061710    -0.50896199    
H    -2.02003696    -1.86425658    -1.97727670    
H    -2.93982419    -2.25549217    -0.67081515    
030
G13_04429 
C    -4.64833111    -0.30615751    -0.67215204    
C    -3.62463640    -0.33082461     0.45822560    
O    -2.37124797    -0.23595367    -0.20791255    
C    -1.26925084    -0.22367067     0.69072445    
C    -0.05783746    -0.00794785    -0.20782275    
C     0.08666166     1.46136158    -0.71549351    
C     1.39400258     1.81273385     0.00725757    
O     1.17061113     1.17782357     1.35977234    
C     1.26298683    -0.08351729     0.63258907    
C     1.84644593    -1.43408528     0.88715634    
C     2.52136260    -1.68366494    -0.52766520    
N     2.56654597    -0.37514280    -1.30704672    
C     2.39410707     0.61635564    -0.24810843    
H    -5.67055399    -0.36087360    -0.28757399    
H    -4.55180239     0.61172985    -1.26666116    
H    -4.49292156    -1.14672439    -1.36044298    
H    -3.74566049     0.52639923     1.14355057    
H    -3.66538942    -1.27183252     1.03370294    
H    -1.38534201     0.59059803     1.42890517    
H    -1.21940687    -1.19182071     1.21940531    
H    -0.06025589    -0.72429990    -1.05230618    
H     0.17856265     1.51331084    -1.80884318    
H    -0.75720160     2.09628463    -0.41839602    
H     1.74033262     2.82672210     0.10060917    
H     2.58893159    -1.44466454     1.69902693    
H     1.10552400    -2.21277798     1.11728644    
H     3.52130452    -2.12423007    -0.39941007    
H     1.90178671    -2.37605412    -1.12876908    
H     3.43794371    -0.27253317    -1.81428947    
H     3.33569550     0.84476786     0.28653633    
029
G13_04558 
N     3.43528667    -0.42443618    -0.47225691    
C     1.95665693    -0.31670590    -0.54960845    
C     1.35833052    -1.41925749     0.35689831    
C    -0.09692698    -1.12989752     0.78049215    
N    -1.06950093    -1.40161896    -0.31074902    
C    -1.67246666    -0.11611538    -0.76733612    
C    -3.07015185    -0.11221201    -0.39336712    
C    -4.23916667    -0.11078395    -0.08181351    
C    -0.91800460     1.02946767    -0.04223846    
C     0.27908704     1.57958985    -0.85076266    
C     1.54429346     1.10978879    -0.08833295    
C     1.06418200     1.05609468     1.37531087    
C    -0.28777068     0.35305030     1.20823912    
H     3.76391035    -1.34651811    -0.70220232    
H     3.89827133     0.24780434    -1.05976011    
H     1.59518842    -0.47784485    -1.59734956    
H     1.42098934    -2.40058988    -0.14445728    
H     1.98586488    -1.51721999     1.26790993    
H    -0.37709828    -1.81509349     1.62022990    
H    -0.64776978    -1.90809303    -1.08144709    
H    -1.58638514    -0.01064225    -1.88225219    
H    -5.23124478    -0.11270520     0.18209503    
H    -1.60857686     1.84550052     0.23755831    
H     0.27431817     1.24371574    -1.89636420    
H     0.24514067     2.68109144    -0.88764287    
H     2.38397777     1.81713629    -0.21974729    
H     1.76435249     0.52164563     2.03396159    
H     0.94791866     2.06513038     1.80081896    
H    -0.93175891     0.42958120     2.09833432    
029
G13_04701 
C    -3.83524113    -1.20372674     0.02237329    
N    -2.88806178    -0.07428858    -0.06555917    
C    -1.64960072    -0.32199829     0.69132210    
C    -0.72807451    -1.35924887     0.04480237    
C     0.43662732    -0.82984016    -0.32362048    
C     1.80655906    -1.33015999    -0.62962776    
C     2.66581492    -0.28343071     0.07591124    
C     4.10657059    -0.53009224     0.27394128    
C     1.95103699     0.79108702     0.46338551    
C     0.53324373     0.65847190     0.00095389    
N     0.10541453     1.60280823    -1.08658687    
C    -1.03924317     2.10590344    -0.24451084    
C    -0.78476634     0.97752403     0.79835281    
H    -4.12679713    -1.35925378     1.07414820    
H    -4.74863611    -0.93448416    -0.53450911    
H    -3.45019237    -2.15350173    -0.37726042    
H    -2.66205480     0.13215093    -1.04216125    
H    -1.92481548    -0.66099047     1.72135113    
H    -1.04778420    -2.37879564    -0.02680931    
H     1.99226073    -2.35034330    -0.25441618    
H     2.01270258    -1.34813331    -1.71812558    
H     4.61493107    -0.74477295    -0.67904489    
H     4.62205141     0.32812125     0.72965044    
H     4.27846514    -1.39597676     0.93300137    
H     2.29075879     1.65559172     0.99374855    
H     0.79653814     2.29588790    -1.32929387    
H    -0.91628795     3.11683563     0.16351873    
H    -1.98708552     2.06786636    -0.79870178    
H    -0.68227478     1.31554893     1.82895321    
026
G14_00099 
C    -3.80462746    -1.75046519     0.66227182    
N    -3.02358997    -0.55722935     0.40902688    
C    -1.74762491    -0.60010165     0.17177078    
N    -0.92841197    -1.72909078     0.16564514    
C    -1.08397417     0.68632496    -0.08057783    
C     0.25287731     1.11559788    -0.07034311    
N     0.30933200     2.45348534    -0.42593256    
C    -0.95741382     2.85823502    -0.63674435    
N    -1.83991190     1.80538164    -0.43600194    
C     1.47717037     0.37714108     0.23787434    
N     1.85399582     0.32222065     1.47251142    
O     3.01953959    -0.38982774     1.65907912    
C     2.17760062    -0.19723475    -0.94691765    
C     2.76920372    -1.56120411    -0.90303439    
O     1.51296304    -1.31648671    -1.54680120    
H    -4.85346621    -1.42370757     0.80899174    
H    -3.79307392    -2.46619828    -0.17642618    
H    -3.49123859    -2.27575440     1.58154625    
H    -1.35311359    -2.63245250     0.11621547    
H    -0.01818874    -1.66118681    -0.25577644    
H    -1.25802203     3.85167350    -0.92506879    
H    -2.84337335     1.80181961    -0.46802041    
H     3.15103889    -0.32802299     2.65624559    
H     2.53846438     0.55818739    -1.65984345    
H     3.58247327    -1.83610035    -1.57108171    
H     2.71845912    -2.16823664    -0.00031023    
029
G14_00218 
N    -1.36089109     2.56325389    -1.22704294    
C    -1.15503338     1.68958781    -0.31689722    
C    -0.40170704     2.04694465     0.94054325    
N     0.71342783     1.13590292     1.27841056    
C     1.33460249     0.44808755     0.13730815    
C     2.88914384     0.48758748     0.12523003    
N     3.32577140    -0.74307914    -0.57697724    
C     2.26164327    -1.76656036    -0.36823011    
C     1.03446312    -1.07509664     0.27436388    
C    -0.29205182    -1.45617361    -0.37139413    
C    -1.45527904    -0.67715446     0.27709029    
O    -1.71066962     0.46985618    -0.54500351    
C    -2.68745795    -1.42784960     0.22996656    
C    -3.72563330    -2.04799235     0.19054502    
H    -1.89676329     2.35306987    -2.05151100    
H    -0.06221127     3.11100416     0.85360009    
H    -1.11245950     2.01248178     1.80720014    
H     1.40013529     1.61443258     1.85835738    
H     0.96159258     0.82535097    -0.84513634    
H     3.28993495     1.39387119    -0.35836223    
H     3.30046515     0.45100585     1.15693463    
H     3.46472401    -0.56296888    -1.56898348    
H     2.00736105    -2.27878934    -1.31315253    
H     2.68086565    -2.53565651     0.31512868    
H     0.99905451    -1.33141864     1.36156854    
H    -0.28484044    -1.25247669    -1.46119571    
H    -0.46387129    -2.54605953    -0.27389598    
H    -1.21206801    -0.35704899     1.32354351    
H    -4.60675174    -2.57841009     0.15917732    
042
G14_00249 
C    -3.34116166    -1.37043044     0.96721547    
C    -3.34035703    -0.17435186     0.00166376    
C    -3.63194944    -0.66237626    -1.42562618    
C    -4.44775486     0.80818205     0.43006723    
C    -1.98986616     0.57504275     0.06154544    
C    -0.80998270    -0.24046048    -0.47431169    
C     0.55463107     0.36859419    -0.05122160    
C     0.76380034     1.75265023    -0.65981002    
O     0.52724067     0.60687828     1.34559296    
C     1.65254591    -0.66302570    -0.40119440    
C     3.12707662    -0.32645016    -0.07291372    
C     3.28371149     0.29132663     1.31976134    
C     3.91786939    -1.65569068    -0.11046028    
C     3.73537216     0.60939299    -1.13056949    
H    -2.60586728    -2.12620652     0.67522092    
H    -3.10551576    -1.05501020     1.98889775    
H    -4.32036261    -1.85971188     0.98955316    
H    -4.63365539    -1.09810667    -1.49858193    
H    -3.57541547     0.16033442    -2.14539599    
H    -2.91906992    -1.43007258    -1.74194956    
H    -4.27157824     1.18941983     1.44108614    
H    -4.50146085     1.66798999    -0.24482153    
H    -5.43012265     0.32592451     0.42647356    
H    -2.07467425     1.52107238    -0.50586967    
H    -1.78672816     0.87755584     1.10962920    
H    -0.87942214    -1.28081773    -0.10851281    
H    -0.85712508    -0.29887579    -1.57615751    
H    -0.09575908     2.40467691    -0.46023747    
H     1.63437491     2.24790924    -0.20878044    
H     0.91260409     1.69593692    -1.74108612    
H     0.44019733    -0.22474686     1.84346474    
H     1.39750777    -1.60905290     0.11834882    
H     1.58155884    -0.88855246    -1.48280871    
H     2.86756773    -0.35759030     2.09632233    
H     4.33523213     0.47265947     1.56129059    
H     2.75524980     1.25125817     1.39615132    
H     3.83025686    -2.14507304    -1.08449902    
H     4.98256099    -1.48404471     0.07723934    
H     3.56308033    -2.35504815     0.65198180    
H     3.29241331     1.60879115    -1.09252588    
H     4.81254048     0.73127310    -0.97356727    
H     3.59126742     0.21988950    -2.14253812    
030
G14_00355 
C    -3.82473875     0.89331668     0.45193239    
N    -2.63998488     0.13842075     0.00004376    
C    -1.38736642     0.79578691     0.43447668    
C    -0.16752215    -0.09479554     0.05596210    
C    -0.17174970    -1.40547870     0.93543127    
N    -0.39096198    -2.51206344    -0.00804946    
C    -0.49206238    -2.03738883    -1.21234758    
N    -0.27914468    -0.63732874    -1.33011523    
C     1.10601889     0.74521929     0.13741376    
C     1.96335043     0.78807238     1.39394197    
C     2.54566777     0.18007824     0.14492296    
C     2.84598247    -1.28312023     0.01904194    
C     0.99476280     1.97219527    -0.60152699    
N     0.91907751     2.95579590    -1.20627554    
H    -3.81262237     1.90062500     0.00023169    
H    -4.72845961     0.38049052     0.07942578    
H    -3.90849745     1.00181399     1.54353149    
H    -2.67575528    -0.82734425     0.32800006    
H    -1.34241445     1.77829465    -0.09089916    
H    -1.35085552     1.02068640     1.52095136    
H     0.78033296    -1.56801056     1.47528643    
H    -0.97029275    -1.40503259     1.70109913    
H    -0.65376379    -2.63172925    -2.10924933    
H    -0.86720601    -0.10461316    -1.96110887    
H     2.33430550     1.74715826     1.75416459    
H     1.70354871     0.16122854     2.24319394    
H     3.28066552     0.78905423    -0.41033864    
H     2.65825402    -1.84777191     0.94112796    
H     2.23536234    -1.74671717    -0.77431669    
H     3.89755004    -1.45731735    -0.24692051    
031
G14_00708 
C     4.27948165    -1.09638618     0.68744423    
C     3.50857290     0.12065424     0.20078475    
O     2.13978034    -0.32457126     0.23296711    
C     1.19053518     0.57440014    -0.14703783    
N     1.52993208     1.74259560    -0.53228942    
C     0.58184882     2.75893300    -0.93396141    
C    -0.15216745    -0.12189572    -0.01598448    
N    -1.09086803     0.59055351     0.49585984    
C    -2.46176759     0.17986438     0.74909992    
C    -3.26097967     1.48090572     0.96882555    
C    -3.09546912    -0.64817296    -0.34203873    
C    -2.56051873    -1.78135157    -0.79957829    
C    -1.25899922    -2.32693942    -0.28198724    
N    -0.15519813    -1.40008575    -0.58094373    
H     3.93861618    -1.41031699     1.68319033    
H     4.14547059    -1.95248502     0.01492980    
H     5.35169517    -0.88003745     0.75085120    
H     3.61055627     0.99552231     0.86702539    
H     3.76210439     0.41442221    -0.83262438    
H     1.00999067     3.30413823    -1.79558869    
H    -0.42004048     2.38525578    -1.21015411    
H     0.44475587     3.47844046    -0.10310349    
H    -2.48162592    -0.41737544     1.70827123    
H    -3.28640157     2.08746116     0.05649237    
H    -4.28664869     1.26906970     1.27938644    
H    -2.78424462     2.09664757     1.74359199    
H    -4.03630842    -0.26393016    -0.73147080    
H    -3.03270421    -2.36803997    -1.58332281    
H    -1.33777964    -2.53002151     0.81396867    
H    -1.02011421    -3.30237225    -0.76856953    
H     0.75253919    -1.84344448    -0.69482657    
030
G14_00854 
C     1.55741049    -2.08882389     0.69298985    
C     0.64953489    -0.94227212     1.04965623    
C     1.13569479     0.56540645     1.00662432    
C     1.63225506     0.70204550    -0.45852399    
C     2.99400492     0.13745888    -0.80130080    
O     0.58160815    -0.06923664    -1.13740061    
C    -0.32109347    -0.41119738    -0.07347207    
C    -1.51901270    -1.13478248    -0.57421154    
N    -1.83382766    -0.91393873    -1.91552855    
N    -2.20730079    -1.84219884     0.25743216    
C    -0.40525857     0.96105200     0.76886087    
C    -1.29094924     0.91235489     2.00136313    
C    -0.67012484     2.13394992     0.00368729    
C    -0.92409275     3.12841008    -0.63905536    
H     1.80054993    -2.11195187    -0.37806933    
H     2.49567958    -2.05416593     1.25754631    
H     1.07068673    -3.04951439     0.91865096    
H     0.11919623    -1.17605224     1.99396595    
H     1.70085707     0.99629970     1.80800216    
H     1.52819970     1.73548007    -0.85269888    
H     3.46326015    -0.37887916     0.04344669    
H     2.91591176    -0.58364544    -1.62936799    
H     3.68517806     0.92459888    -1.12601084    
H    -1.17587496    -0.43273759    -2.49859710    
H    -2.48933695    -1.50080430    -2.38261994    
H    -3.03253333    -2.33237160    -0.03308263    
H    -1.79460850    -0.06510450     2.10187770    
H    -0.72147596     1.09462631     2.91876448    
H    -2.09410451     1.66062565     1.96105281    
H    -1.14088564     3.97029601    -1.18628330    
026
G14_00955 
C    -0.15113265     2.44544372    -0.07403883    
C     0.40456035     1.07579202    -0.01917932    
C    -0.18502697    -0.13509375     0.01851245    
C     0.67422724    -1.34976162     0.08272572    
O     0.27096673    -2.48389927     0.14008597    
N     2.07113730    -1.13232353     0.07740958    
C     2.54481444     0.07680537     0.02858799    
N     3.86938576     0.39763581    -0.00233696    
O     1.77632698     1.22661620    -0.00796682    
C    -1.67295616    -0.38917663     0.00503834    
C    -2.03027285    -1.25434649    -1.22576333    
C    -2.07476797    -1.11839069     1.30777181    
C    -2.48340034     0.80909222    -0.07538781    
C    -3.23388020     1.75684325    -0.14230440    
H     0.63618605     3.21952190    -0.07829812    
H    -0.75783999     2.59921004    -0.98396178    
H    -0.80194296     2.65306210     0.79360576    
H     4.55422474    -0.33552389     0.05178341    
H     4.17163367     1.34846109    -0.00002451    
H    -1.58077730    -2.25519050    -1.15138373    
H    -3.11328036    -1.39134325    -1.31167020    
H    -1.67059056    -0.79631975    -2.15196493    
H    -1.75762892    -0.55761589     2.19196447    
H    -3.15930637    -1.25830309     1.36413238    
H    -1.61455375    -2.11572355     1.36150545    
H    -3.86778243     2.56222007    -0.19908152    
035
G14_01052 
C    -4.14557830    -0.41527301     1.19453388    
C    -3.49929912     0.43577193     0.10556984    
C    -2.38242068    -0.34124242    -0.59448505    
O    -2.88533751    -1.41406376    -1.35933219    
C    -1.57244294     0.56756149    -1.54580956    
O    -0.96573904     1.56899948    -0.74802892    
C     0.44624922     1.57685754    -0.71681012    
C     0.98391219     0.56824467     0.31473491    
O     0.17298969     0.57968391     1.46838416    
C     1.07137084    -0.89409126    -0.20927494    
N     2.36763909    -1.45401740     0.23706297    
C     3.28765081    -0.30014784     0.43577022    
C     4.07417492    -0.06517359    -0.86013914    
C     2.40688677     0.92492072     0.79025832    
H    -5.02131112     0.08131288     1.62606481    
H    -4.47245490    -1.38593747     0.79817756    
H    -3.44720564    -0.62108893     2.01490239    
H    -4.25930578     0.76422323    -0.62800362    
H    -3.08874934     1.37112027     0.53885577    
H    -1.71610109    -0.85789538     0.13542658    
H    -3.68553993    -1.15668325    -1.85538008    
H    -0.85376650    -0.02010095    -2.13718343    
H    -2.22473906     1.12902100    -2.23845894    
H     0.88164793     1.42611840    -1.71645617    
H     0.64473893     2.61956932    -0.39091437    
H    -0.74081283     0.86578083     1.24413048    
H     0.22624597    -1.50725470     0.15705273    
H     1.05291734    -0.93165166    -1.31734629    
H     2.25318485    -1.97795011     1.10325619    
H     4.00078710    -0.52943275     1.26188641    
H     3.41140873     0.20247377    -1.68955110    
H     4.81718202     0.72687248    -0.73934301    
H     4.59688727    -0.98346904    -1.16008361    
H     2.78811177     1.84984032     0.33904394    
H     2.39327163     1.10103782     1.88294871    
031
G14_01169 
O    -0.11057230     2.32030306     1.66124804    
C     0.13244098     1.03214488     1.09821533    
C    -1.17627778     0.23074041     1.18754524    
C    -1.34711579    -0.86587164     0.12105899    
O    -2.34412345    -1.72232467     0.64788088    
C    -1.91515617    -0.24416294    -1.18184457    
O    -0.89921428     0.42662978    -1.89367678    
C    -0.43243261     1.63613843    -1.32717263    
C     0.70147970     1.41115446    -0.29909173    
N     1.73107583     0.54621754    -0.91690569    
C     2.67536706    -0.16870723    -0.04356576    
C     2.33691525    -1.67787586     0.22362120    
C     0.92695609    -1.69945559     0.69461597    
C    -0.06714085    -1.57399843    -0.19403282    
H    -0.49248097     2.24984310     2.55410205    
H     0.92698269     0.55957292     1.71893970    
H    -1.25871298    -0.24203328     2.18830618    
H    -2.03885542     0.92767471     1.13372305    
H    -2.23830592    -2.63339195     0.31247093    
H    -2.23520076    -1.02341591    -1.89800097    
H    -2.76775507     0.42314485    -0.97785372    
H    -0.04245139     2.15856307    -2.22544089    
H    -1.25201767     2.22544978    -0.88427044    
H     1.21780772     2.41023958    -0.14326338    
H     1.29521715    -0.09060025    -1.58763346    
H     3.66136704    -0.12430292    -0.56585449    
H     2.80719477     0.36551906     0.91791412    
H     2.48565126    -2.26184847    -0.70353738    
H     3.04606643    -2.09384451     0.95938079    
H     0.77300524    -1.63350849     1.76954656    
H     0.07908357    -1.80787238    -1.24968046    
026
G14_01263 
C     1.49607672     1.47518898    -0.73308279    
C     1.68442135     0.11395981    -0.06416777    
C     3.12004852    -0.06066809     0.44858526    
C     4.11947634    -0.13653299    -0.71078636    
O     5.33215771    -0.54930552    -0.09655339    
C     0.72248219    -0.02891749     1.14131076    
N    -0.66276376    -0.28372787     0.70346993    
C    -1.06027977    -1.47068942     0.09102617    
N    -2.24285919    -1.63875383    -0.43467550    
C    -3.18959899    -0.59361206    -0.44835772    
O    -4.28409002    -0.69591314    -0.92483720    
C    -2.66746479     0.65508889     0.20111117    
F    -3.46123531     1.70187696     0.24460198    
N    -1.47164451     0.80305692     0.71898090    
H     1.81050817     2.29907120    -0.08054256    
H     2.07352326     1.55435264    -1.66069278    
H     0.44476538     1.65924614    -0.99176743    
H     1.46371309    -0.68982097    -0.80826273    
H     3.40412806     0.76617453     1.12831965    
H     3.21969850    -0.98379237     1.05675152    
H     3.83111256    -0.89140992    -1.46352329    
H     4.27102161     0.84232118    -1.19697370    
H     6.06493023    -0.53519983    -0.73973371    
H     1.02583289    -0.87135181     1.80439156    
H     0.74820164     0.89829165     1.76624950    
H    -0.33556007    -2.30387404     0.09575776    
030
G14_01902 
C     4.53530916     0.68418489    -0.84996739    
C     3.60167400    -0.29730909    -0.16033379    
C     3.27700286     0.11138242     1.29541218    
N     1.91966979    -0.39912719     1.61835805    
C     1.31974633    -0.96133776     0.37490473    
C    -0.04607612    -0.52168602     0.26963969    
C    -1.18547750    -0.12727488     0.15572112    
C    -2.52961617     0.37610916    -0.01507934    
N    -2.83803826     0.70042631    -1.42530617    
C    -3.54595396    -0.67951644     0.50642050    
C    -4.86996464    -0.11378225     0.61065017    
N    -5.93323906     0.33130763     0.70443552    
C     2.20310897    -0.42362889    -0.82779187    
N     1.74485984     0.84945774    -1.39426443    
H     4.16397862     1.71603236    -0.80336955    
H     5.53527090     0.66957816    -0.40396891    
H     4.63491953     0.44618391    -1.91831462    
H     4.07692859    -1.30688899    -0.16471220    
H     4.03764490    -0.25411835     2.00735215    
H     3.23929661     1.21839957     1.40067586    
H     1.93395582    -1.08705695     2.36427410    
H     1.36025080    -2.08493737     0.37165697    
H    -2.66049890     1.33321595     0.57752031    
H    -2.20965746     1.39489970    -1.79561811    
H    -2.82165614    -0.11061650    -2.02121667    
H    -3.55089528    -1.57051972    -0.16473554    
H    -3.20237710    -1.05776135     1.50043578    
H     2.21634897    -1.17230265    -1.65363395    
H     0.77947114     0.80375913    -1.68391179    
H     1.83866879     1.60786394    -0.73278574    
027
G14_02148 
O     2.31822742    -2.39680635    -0.11087996    
C     1.70627600    -1.39168554    -0.88602218    
C     1.45554963    -0.15515311    -0.04532565    
C     1.40753566    -0.22005255     1.46429664    
C     0.13745235     0.09456767     0.69179937    
O    -0.31622175     1.40546174     0.81261336    
C     0.11394815     2.23183799    -0.26321383    
C     1.63727745     2.19695537    -0.33860938    
O     2.09094449     0.89649598    -0.68815734    
C    -0.99887934    -0.87353557     0.61423229    
C    -2.38761701    -0.36381682     1.10609342    
C    -2.78200327    -0.44454545    -0.35185136    
N    -3.80037399    -0.20397559    -1.04534060    
O    -1.51998404    -0.92091393    -0.76244684    
H     3.19888683    -2.10089127     0.20116315    
H     2.33512563    -1.15967064    -1.76896635    
H     0.76304880    -1.86678982    -1.22742646    
H     1.51751625    -1.18095304     1.96263499    
H     1.86658683     0.56455776     2.05929806    
H    -0.35905966     1.88668858    -1.20062824    
H    -0.28458431     3.22214753     0.01814460    
H     2.04352378     2.81634303    -1.15891335    
H     2.10565746     2.48608470     0.61895359    
H    -0.72908664    -1.90047653     0.91413296    
H    -2.93177397    -1.03028514     1.78241776    
H    -2.40131326     0.64829989     1.53514998    
H    -3.83604978    -0.33124147    -2.03933948    
027
G14_02338 
O    -3.13933379    -0.29063058     1.24146014    
C    -3.30957454    -0.28962657     0.04103288    
N    -2.24071510    -0.35868099    -0.83948436    
C    -0.88131685    -0.28618176    -0.35659550    
C    -0.52949791    -1.12403076     0.91052389    
C     0.77211078    -1.58414161     0.19797625    
C     0.18286777    -1.10597778    -1.16104692    
C     1.98149712    -0.78357292     0.63109885    
O     2.89019775    -0.60778485    -0.49251993    
C     2.81277060     0.83977637    -0.41870941    
C     1.89413521     0.77373353     0.83085268    
C     0.59768651     1.55412208     0.77258980    
C    -0.38482932     1.16005860    -0.29970876    
O    -0.78161450     1.95949892    -1.10927150    
H    -4.30456086    -0.27847221    -0.42683106    
H    -2.36527398    -0.19232640    -1.82921933    
H    -0.42403526    -0.57243564     1.84477963    
H    -1.24338483    -1.93554327     1.10364807    
H     0.97215982    -2.66506421     0.24186868    
H    -0.24376517    -1.91294023    -1.76380023    
H     0.85988785    -0.53224903    -1.79897174    
H     2.53512189    -1.28551047     1.44442292    
H     3.81431817     1.24824838    -0.26564963    
H     2.35836021     1.23302713    -1.33226942    
H     2.43187704     1.06635880     1.75718234    
H     0.07164160     1.49871505     1.75471857    
H     0.84325624     2.63662380     0.64526740    
026
G14_02470 
N    -3.31345816    -1.04141718     0.09378695    
C    -2.12749661    -1.02699459     0.98006487    
C    -0.93299140    -0.47316825     0.20780373    
C    -0.57302539    -1.19112287    -1.15889640    
C     0.69805735    -1.83770196    -0.46202329    
N     2.04289926    -1.49193584    -0.97713602    
C     2.68736634    -0.57965518     0.04560957    
C     1.52132516    -0.02086114     0.83357895    
C     1.37669390     1.36761951     1.31900101    
O     0.83091901     2.15776537     0.25549405    
C    -0.28545914     1.78270185    -0.41679693    
O    -0.56524747     2.32106996    -1.44837718    
O    -1.15619770     0.91833095     0.20170980    
C     0.46066552    -0.80837842     0.63552352    
H    -4.16092731    -1.18542960     0.61883583    
H    -3.39063455    -0.17021591    -0.41493531    
H    -2.27774621    -0.43144016     1.90901120    
H    -1.91794751    -2.07680956     1.29128487    
H    -1.32514264    -1.90734554    -1.49447897    
H    -0.33618557    -0.50780617    -1.97834444    
H     0.55984751    -2.90542397    -0.24838600    
H     2.61131986    -2.30673651    -1.16822463    
H     3.42570519    -1.10173296     0.68036742    
H     3.21450074     0.22167412    -0.51800179    
H     0.71773884     1.45812167     2.20412164    
H     2.33285108     1.89820882     1.50475252    
021
G14_02591 
O     2.67916429    -0.56689330    -1.36080071    
C     2.31347324     0.18202017    -0.50205910    
C     0.80048798     0.32765714    -0.17019196    
C     0.50823739     1.74433356    -0.10127910    
N     0.29063604     2.87838879    -0.05990594    
C    -0.04358241    -0.34907742    -1.22165601    
C    -0.95267453    -1.49307318    -0.82981059    
O    -1.15522793    -1.78097778     0.51617338    
C     0.00235694    -1.66687829     1.31160352    
C     0.65780443    -0.31253757     1.22394355    
O     1.14349888     0.23077144     2.17746883    
C    -1.56488334    -0.17084999    -1.28874199    
C    -2.26274137     0.63727891    -0.35927326    
C    -2.88650282     1.32035682     0.42216013    
H     2.99039522     0.79303976     0.10588237    
H     0.47862717    -0.42064225    -2.19229452    
H    -1.03687966    -2.40834365    -1.41541594    
H    -0.40052752    -1.85946433     2.33222206    
H     0.72582583    -2.46786625     1.05402239    
H    -2.01122882    -0.14015406    -2.30184107    
H    -3.40954789     1.90790841     1.08680564    
037
G14_02856 
C     2.35762792    -1.23360126     1.12465391    
C     2.34575107    -0.48604791    -0.22353881    
C     3.32444814     0.70399700    -0.16437998    
C     2.85267017    -1.46577553    -1.31707872    
N     0.95702732    -0.14145283    -0.60533899    
C     0.20892335     0.99255448    -0.02732107    
C     0.35358199     1.10765910     1.49225684    
C     0.61897231     2.34756305    -0.67045340    
C    -1.29058446     0.77487663    -0.42038848    
C    -2.05474845    -0.35706075     0.26841875    
C    -1.41953078    -1.73768901     0.20640425    
O    -2.29656502    -0.10251048     1.64223975    
C    -3.46243267    -0.47287664    -0.35154143    
O    -3.63791761    -0.35211547    -1.53665729    
H     2.26083266    -0.55737562     1.97699295    
H     1.52899838    -1.95085488     1.17677046    
H     3.29044695    -1.79016333     1.25611086    
H     4.34433657     0.35685440     0.03161340    
H     3.34014978     1.25543093    -1.10903156    
H     3.06507774     1.40480318     0.63441568    
H     2.17929894    -2.32614583    -1.40984650    
H     2.92205180    -0.98315277    -2.29561438    
H     3.84635794    -1.84832494    -1.06810342    
H     0.85905526    -0.12881226    -1.62113510    
H     1.37951950     1.35204553     1.78737875    
H    -0.29045010     1.89593226     1.89388939    
H     0.08376101     0.16075517     1.98486075    
H     0.56132522     2.30734510    -1.76151943    
H    -0.02888014     3.16111125    -0.33246578    
H     1.64209508     2.62390955    -0.40443026    
H    -1.83470163     1.72510245    -0.25397473    
H    -1.34534257     0.60064182    -1.51879528    
H    -0.40235907    -1.71366763     0.63182782    
H    -1.99451353    -2.47191706     0.78112585    
H    -1.31526058    -2.08578838    -0.82765801    
H    -2.15044251     0.83287908     1.87216219    
H    -4.28348339    -0.68533391     0.34060613    
028
G14_02944 
C     4.03825328    -0.43062376    -0.29283464    
C     2.58987020    -0.11578659    -0.12563418    
C     2.05780620     1.12173418    -0.26652869    
C     0.63345625     1.36814457    -0.04734415    
N     0.12691483     2.55276460     0.09010393    
C    -0.21065746     0.16689783     0.05656306    
C     0.38430561    -1.04327231     0.26816263    
C    -0.31773224    -2.32031760     0.59477530    
N     1.77229943    -1.19177014     0.20474214    
C    -1.72321965     0.34570119     0.01063468    
C    -2.24124943     0.55844249     1.44754025    
N    -2.20346883     1.46361933    -0.83850117    
C    -2.39007193    -0.83165400    -0.57938325    
N    -2.95132184    -1.72097193    -1.06002124    
H     4.21018475    -1.15948963    -1.10033909    
H     4.62247863     0.46729985    -0.55255720    
H     4.48215713    -0.83656925     0.62900706    
H     2.67311321     1.97420071    -0.53038764    
H     0.72765821     3.35769181     0.04239424    
H    -0.65457763    -2.84311988    -0.31959050    
H     0.30492718    -3.03048560     1.15748719    
H    -1.21358687    -2.15373673     1.21686732    
H     2.18055442    -2.10483131     0.34957097    
H    -1.75686211     1.44112458     1.89363823    
H    -3.32409313     0.74255362     1.45024617    
H    -2.03128434    -0.29811256     2.09139198    
H    -1.99607913     2.35741920    -0.39668605    
H    -1.75132481     1.45966028    -1.74192426    
029
G14_03858 
C    -1.65254015    -1.79822788     1.21592937    
C    -1.43296175    -0.58817604     0.29485849    
C    -2.10522522     0.65153236     0.96958057    
N    -1.80808843     1.91782640     0.29505429    
C    -0.35974848     2.16402329     0.29222171    
C     0.45845109     1.04508725    -0.39573408    
C     1.95105331     1.31177658    -0.07728839    
N     2.85192931     0.23694109    -0.51241616    
C     3.33505330    -0.70289610     0.52557615    
C     2.30201883    -1.13925234    -0.49089530    
C     0.90826438    -1.35537272    -0.05837034    
C     0.03149531    -0.34294588    -0.00502061    
C    -2.09749346    -0.84043320    -0.97909528    
N    -2.62284333    -1.03629280    -1.98997964    
H    -1.04163194    -1.71836293     2.12386718    
H    -2.70228255    -1.88213335     1.52663756    
H    -1.39233390    -2.74459181     0.72372880    
H    -3.20911425     0.51672623     1.00178749    
H    -1.76276480     0.72078741     2.02683422    
H    -2.19505570     1.94086177    -0.64876556    
H    -0.17153212     3.13855750    -0.21110101    
H    -0.03184039     2.28940631     1.34957109    
H     0.31702736     1.12395752    -1.50778683    
H     2.29117764     2.21900651    -0.63474112    
H     2.07626265     1.53847888     1.00306277    
H     4.37777145    -1.00930449     0.41806494    
H     3.05943498    -0.58273137     1.57091787    
H     2.60740580    -1.76259116    -1.34836708    
H     0.65535706    -2.38665924     0.17763112    
025
G14_03958 
C    -3.85457407     0.74584344    -1.00699428    
C    -2.95243129    -0.48543356    -0.99874664    
C    -2.04562283    -0.52794442     0.22236043    
N    -2.74776314    -0.79679608     1.44934850    
C    -0.76116450    -1.44114973     0.06326332    
N     0.06943179    -0.20528512     0.11175480    
C    -1.02694721     0.70495420     0.26046665    
O    -1.06509155     1.87760301     0.38142653    
C     1.42476072    -0.08882426     0.01141743    
C     2.28781993    -1.21665308    -0.15161890    
N     3.61747634    -1.02700807    -0.23850236    
N     4.12605810     0.16057237    -0.17646255    
C     3.30643107     1.24538668    -0.02024781    
N     1.96586441     1.16108209     0.07574496    
H    -4.40414388     0.82459748    -1.95374921    
H    -4.60144209     0.72110647    -0.20671202    
H    -3.27804771     1.67605534    -0.89426291    
H    -3.56773450    -1.41051810    -1.02993570    
H    -2.34134282    -0.50329032    -1.92568492    
H    -2.20263798    -0.63885034     2.28188859    
H    -3.64398349    -0.34340449     1.51890611    
H    -0.57969362    -2.13050844     0.90269902    
H    -0.69122189    -1.98522477    -0.88850906    
H     1.92243881    -2.23937541    -0.20919342    
H     3.76778468     2.24407656     0.03007437    
027
G14_04029 
C    -2.76687546    -2.23204984    -0.38779725    
C    -2.40180758    -0.75559110    -0.45521515    
O    -3.54094548    -0.06725078     0.00767082    
C    -1.20731286    -0.42315325     0.48950825    
N    -0.01541197    -1.22009563     0.15123897    
C     0.98376447    -0.44201200    -0.12674128    
C     2.34069271    -0.84804772    -0.52287458    
C     3.44209400    -0.86070749     0.52326319    
C     2.89346396    -2.16033974     0.00513002    
N     0.64189238     0.95555909    -0.03246543    
C     1.49411474     2.04883244    -0.23811104    
O     1.06135152     3.17001735    -0.12559085    
C    -0.75748006     1.04029716     0.33771944    
N    -1.48093258     2.06797770     0.49594089    
H    -3.57684204    -2.46409231    -1.09022493    
H    -1.90367386    -2.86712710    -0.62581225    
H    -3.12229348    -2.50728876     0.61391869    
H    -2.18393772    -0.42164983    -1.49335241    
H    -3.33566142     0.88372907     0.17220928    
H    -1.50810983    -0.63820237     1.54885035    
H     2.58681989    -0.56080053    -1.55611377    
H     4.44445469    -0.54165455     0.24620642    
H     3.22084773    -0.55290094     1.54417445    
H     2.26247336    -2.78091140     0.64464162    
H     3.48945874    -2.78935186    -0.65105399    
H     2.53399776     1.80542060    -0.49557598    
H    -1.12057922     3.00619751     0.39201517    
030
G14_04135 
C    -0.50656598     0.97982462     1.78922496    
N    -0.49520522     1.32555319     0.36762661    
C    -0.63487831     2.64960026    -0.00623872    
O    -0.59001916     2.96944724    -1.17741685    
C    -0.26832550     0.30243383    -0.64297079    
C     1.11461228    -0.42124375    -0.55253527    
C     2.22840883     0.40948084     0.09332116    
C     3.49914646    -0.24021003    -0.04954587    
C     4.57158772    -0.78844139    -0.16813327    
C     0.80395323    -1.72499296     0.20517259    
O    -0.61287466    -1.85374715     0.31020202    
C    -1.23841316    -0.90993715    -0.55370097    
C    -2.63506917    -0.64364629     0.02808509    
N    -3.55720456    -1.77885414    -0.13932146    
H    -1.45893773     1.28494552     2.25929616    
H    -0.40398141    -0.11318748     1.93569542    
H     0.32203131     1.47099846     2.32839555    
H    -0.79529351     3.37166542     0.80521133    
H    -0.36543757     0.79651969    -1.65164355    
H     1.43078847    -0.66796752    -1.59656138    
H     2.25119522     1.42436447    -0.37887126    
H     2.00820848     0.60025705     1.16951345    
H     5.48271115    -1.25203571    -0.26959302    
H     1.16589267    -2.62320835    -0.32105770    
H     1.17112967    -1.73570905     1.24341509    
H    -1.31498064    -1.39083124    -1.55606098    
H    -2.57078692    -0.42196556     1.11658713    
H    -3.08007438     0.25536358    -0.45431920    
H    -3.69713221    -2.01430714    -1.10863918    
H    -3.21877708    -2.59717658     0.34503020    
028
G14_04159 
C    -2.53364186    -1.18808487     1.13278882    
C    -2.04976485    -1.40250298    -0.26810620    
O    -2.47014177    -0.42867364    -1.23640609    
C    -1.07274300    -0.46753597    -0.90497207    
C    -0.58661750     0.74024379    -0.18433080    
O    -1.44916618     1.83535910    -0.28364474    
C     0.13899665     0.78672746     1.17438729    
N     0.74215653    -0.43515768     1.69178458    
C     1.96192429    -0.70534473     0.90961903    
C     1.78480072    -1.82471271    -0.17021670    
N     1.85466703    -0.80826193    -1.28144072    
C     2.05490319     0.31731209    -0.30986411    
C     0.86038269     1.22505733    -0.12787384    
O     1.17151145     2.53518962    -0.37938985    
H    -2.78554714    -0.13442498     1.32407794    
H    -3.42489581    -1.78497598     1.35735560    
H    -1.74547179    -1.45939421     1.85530294    
H    -2.11029148    -2.43309965    -0.63529699    
H    -0.42550299    -0.80736038    -1.72943907    
H    -2.31205178     1.54987984    -0.68197031    
H    -0.23673936     1.49194803     1.91425872    
H     0.93019455    -0.36696798     2.68899689    
H     2.85984575    -0.80980466     1.53025462    
H     2.56638163    -2.58908398    -0.17472156    
H     0.79642407    -2.31263005    -0.15357957    
H     2.62469209    -0.93878475    -1.92104948    
H     2.98876534     0.88879184    -0.42519465    
H     0.34371585     3.04314244    -0.58842338    
028
G14_04343 
C    -3.11701846     0.02861384     1.30944079    
N    -2.22716005     0.86797678     0.50615286    
C    -0.87469902     1.11825381     1.11275935    
C    -0.15699980     0.53498164    -0.15666482    
C     0.51228061     1.52117370    -0.94254182    
C     1.06252041     2.36495396    -1.61411237    
C     0.71764068    -0.70747912     0.12494031    
N     1.10377810    -1.29446793    -1.16409487    
C     1.86176672    -0.33474214     1.07271115    
C     3.25566185    -0.90158787     0.89539965    
N     2.98842428     0.53380303     0.68526961    
C    -1.61464344     0.21861694    -0.71203577    
C    -1.91604052    -1.17608391    -0.94202774    
N    -2.17909649    -2.28528443    -1.13590627    
H    -2.68955606    -0.92745044     1.64834742    
H    -3.42998846     0.60628235     2.19802599    
H    -4.02880370    -0.18903354     0.72372503    
H    -0.72649487     2.20089266     1.26506713    
H    -0.65681909     0.59502903     2.04970739    
H     1.52626585     3.08883307    -2.18110872    
H     0.08866983    -1.48116242     0.65583702    
H     1.68431153    -0.69333513    -1.72212860    
H     1.52292797    -2.20471828    -1.07209765    
H     1.50042182    -0.14497093     2.09765794    
H     3.86394084    -1.13619695     1.77474087    
H     3.49886204    -1.56220083     0.06781884    
H     2.99703485     0.86931500    -0.27021601    
H    -1.87888336     0.83496979    -1.61052401    
028
G15_00014 
N    -3.03562398    -1.77818837    -0.15365043    
C    -2.72048045    -0.45802701     0.21678747    
N    -3.51927763     0.14217815     1.02742234    
C    -1.50076396     0.11336840    -0.51400042    
C    -1.34448541     1.61243326    -0.24432407    
C    -0.08774702     2.15149201    -0.92565237    
C     1.15130765     1.52454755    -0.27996533    
O     1.17882253     1.81528223     1.10527169    
C     1.11389545    -0.00409829    -0.32629175    
N     1.87879026    -0.50292324    -1.53191710    
C     2.90419280    -1.19291257    -0.66522645    
C     2.19737188    -0.67019949     0.58882598    
O     2.37874979    -0.74980054     1.75049187    
C    -0.24415584    -0.65430852    -0.17594461    
O    -0.28332658    -1.82854753     0.10775297    
H    -3.79693849    -2.19746383     0.36433197    
H    -2.24330041    -2.39359684    -0.25897782    
H    -3.42308560     1.11222647     1.24977534    
H    -1.68061265    -0.03509464    -1.61924494    
H    -2.23969502     2.15794201    -0.60238120    
H    -1.27566735     1.80066305     0.85064141    
H    -0.09672988     1.93920057    -2.01232149    
H    -0.04709242     3.25375108    -0.83887817    
H     2.09134551     1.90561447    -0.74675176    
H     1.29583889     2.77274981     1.25988556    
H     1.35209169    -1.13698126    -2.11912421    
H     2.95404998    -2.28669723    -0.74777278    
H     3.90844273    -0.77519847    -0.84351924    
028
G15_00234 
C    -4.70929399    -0.74858033    -0.29029027    
O    -3.72624700     0.28093948    -0.40925550    
C    -2.44352145    -0.10411325    -0.27676412    
O    -2.11853702    -1.25734164    -0.10460781    
C    -1.51580489     1.08238751    -0.41646055    
N    -0.16800551     0.70819871    -0.85102848    
C     0.83212959     0.64747619     0.18511776    
C     1.32171325     1.96147549     0.50180429    
N     1.70678721     3.02162104     0.75774434    
C     0.94031970    -0.39819098     1.32420148    
O    -0.00741938    -1.34626803     1.55188202    
C     1.86557215    -0.54531566     0.12468607    
N     1.53883115    -1.55433208    -0.85220867    
C     3.34513859    -0.22789278     0.25403197    
O     3.91612785    -0.09192421    -1.02760881    
H    -4.56189530    -1.50315295    -1.07067844    
H    -4.65686116    -1.20761944     0.70287163    
H    -5.64949564    -0.20188930    -0.43149299    
H    -1.91722640     1.78813408    -1.19496783    
H    -1.50167755     1.66741651     0.53391935    
H    -0.14503087    -0.14361258    -1.43065532    
H     1.33388730    -0.09950835     2.30310263    
H    -0.69544046    -1.40200830     0.83346571    
H     2.28920674    -1.69437348    -1.51868969    
H     1.26747934    -2.43103591    -0.42665144    
H     3.54760069     0.67992921     0.85107279    
H     3.90589823    -1.08017112     0.69170574    
H     3.49169556     0.65063467    -1.51382104    
036
G15_00356 
C    -3.76979829    -0.97883101     1.01881515    
C    -3.42580046    -0.41963568    -0.36073532    
C    -4.65784944     0.12933643    -1.08406024    
O    -2.59753807     0.72679664    -0.16258517    
C    -1.22404032     0.53465353    -0.37622816    
C    -0.56981611     1.81903980     0.15291981    
C     0.78936066     1.54922502     0.79205749    
C     1.68485509     0.68440040    -0.10261570    
O     3.00074777     1.12364460     0.22627452    
C     4.02495347     0.42148252    -0.44888581    
C     3.93586883    -1.08387388    -0.14092620    
N     2.59708768    -1.62226827    -0.45651462    
C     1.56011998    -0.82302182     0.23341988    
C     0.17692714    -1.38491239    -0.15417412    
O    -0.83872809    -0.58785748     0.40730885    
H    -4.45903994    -1.82369286     0.95345598    
H    -2.85799176    -1.31239492     1.53494011    
H    -4.22554360    -0.20894895     1.65242294    
H    -2.89930842    -1.17694075    -0.97963293    
H    -5.10893103     0.95215074    -0.51449755    
H    -4.39205774     0.53050089    -2.06792546    
H    -5.41736844    -0.64552797    -1.21899734    
H    -1.03630433     0.34140448    -1.45283401    
H    -0.48597397     2.55578999    -0.66695329    
H    -1.24697564     2.28520255     0.90343407    
H     1.30653908     2.50899515     1.00700470    
H     0.65328425     1.06231050     1.77956508    
H     1.51317175     0.88019360    -1.18064644    
H     3.96659634     0.63097882    -1.52978306    
H     4.94129147     0.88020658    -0.03616276    
H     4.69836358    -1.65706936    -0.70585653    
H     4.13428275    -1.26601510     0.93960125    
H     2.44384032    -1.63344524    -1.46456562    
H     1.71263409    -0.95704830     1.33749996    
H     0.05642651    -1.49650493    -1.24427073    
H     0.00948076    -2.37140539     0.32472522    
028
G15_00607 
O    -4.43674724     0.97700037     0.15397517    
C    -4.12441769    -0.34053953     0.54606429    
C    -2.87890688    -0.85647458    -0.21343166    
N    -1.78871863     0.05127934     0.10176083    
C    -0.55442061    -0.25329474    -0.00820544    
O    -0.24491486    -1.50272608    -0.48854655    
C     0.98204658    -2.10235696    -0.11608563    
C     2.16171817    -1.12960052    -0.20529631    
O     2.30355389    -0.64249590    -1.52425312    
C     1.81755122     0.08520250     0.64004485    
C     2.32647655     0.18840339     2.03842792    
O     2.90622800     0.94139847     0.96872869    
C     0.52738575     0.75221456     0.24349832    
C     0.74106007     1.56784986    -1.04953889    
O     0.92569351     2.75039398    -0.98306821    
H    -3.61286487     1.51923671     0.16394167    
H    -3.96496242    -0.35798246     1.64147147    
H    -5.02922509    -0.91857294     0.28040902    
H    -2.67606506    -1.91416620     0.05429787    
H    -3.07318032    -0.83115523    -1.31537891    
H     0.86489380    -2.51900466     0.90437610    
H     1.05500807    -2.93329379    -0.84632323    
H     3.12487363    -1.59592655     0.10576601    
H     2.47479120    -1.37880752    -2.14510280    
H     1.79082476     0.77623493     2.78429914    
H     2.96503526    -0.57607726     2.47155595    
H     0.19919179     1.47168010     1.04529458    
H     0.69183126     1.01501841    -1.99128606    
035
G15_00853 
C    -2.41261448    -2.09663833    -0.48805744    
C    -2.42615946    -0.56480425    -0.41855606    
C    -3.87456550    -0.05966972    -0.45133780    
C    -1.71365269    -0.06349256     0.85775873    
C    -0.31854349     0.47330614     0.58712452    
C     0.20910063     1.43796249     1.68886976    
O     0.27358545     2.54716706     0.75743384    
C    -0.27267529     1.76125564    -0.34185953    
C     0.66440141     1.74483723    -1.50347440    
C     1.73623611     0.94202227    -1.53777706    
C     1.98366491     0.08869913    -0.34504212    
O     2.84938232    -1.01276942    -0.59520935    
C     2.52890797    -2.02398960     0.37333081    
C     1.16985950    -1.67448908     1.02656638    
C     0.64955455    -0.57491937     0.09464891    
H    -2.86939310    -2.45394747    -1.41770397    
H    -1.39229683    -2.49296013    -0.45131352    
H    -2.97081939    -2.54183886     0.34236109    
H    -1.89571485    -0.16326764    -1.31700327    
H    -4.44184369    -0.40756432     0.41820362    
H    -3.91685156     1.03484877    -0.46186686    
H    -4.39708908    -0.41586407    -1.34602687    
H    -2.32660581     0.72592257     1.33868499    
H    -1.65775363    -0.87538578     1.60825074    
H    -0.49164135     1.67944111     2.49213607    
H     1.20559953     1.23503470     2.08680936    
H    -1.26713829     2.16648347    -0.58963594    
H     0.42367199     2.43315243    -2.30880899    
H     2.43817966     0.87537641    -2.36123222    
H     2.45636178     0.68815504     0.47048386    
H     2.50266676    -2.95940992    -0.20543304    
H     3.35834231    -2.04395202     1.09540876    
H     0.49516953    -2.54071819     1.07427619    
H     1.29240819    -1.31517983     2.05972276    
H     0.19539548    -1.06728201    -0.80657095    
031
G15_01451 
C    -1.09461983     2.31897925     1.34175662    
C    -1.03575574     2.18862630    -0.15093958    
C     0.20014987     1.70049415    -0.90643575    
N     1.34845881     1.21067733    -0.16055013    
C     1.94016481     0.01376697    -0.80616362    
C     3.42973490    -0.08151257    -0.45603925    
C     1.20725934    -1.28417042    -0.35068494    
C     1.17286308    -1.56912630     1.14844855    
C     0.19470140    -0.61598529     1.81958998    
O    -1.05781130    -0.56030486     1.15962385    
C    -1.07994045    -0.51901083    -0.23859188    
O    -0.10289756    -1.31815244    -0.87390641    
C    -2.35802276    -1.20581186    -0.56474199    
N    -3.35300934    -1.73439432    -0.81345232    
C    -1.06816970     0.85745775    -0.88179651    
H    -0.12291389     2.11051872     1.81249243    
H    -1.39370646     3.32779429     1.65086700    
H    -1.81894084     1.61061711     1.77451509    
H    -1.59840147     3.00004322    -0.64407178    
H     0.44914790     2.20957358    -1.85049447    
H     2.03504729     1.94920406    -0.01912282    
H     1.82689371     0.06544486    -1.92440514    
H     3.59372334    -0.02632248     0.62778785    
H     3.86470986    -1.02370972    -0.80917601    
H     4.00353370     0.73088631    -0.91639971    
H     1.65509067    -2.15115231    -0.90408865    
H     0.85336888    -2.61934767     1.31123326    
H     2.17737571    -1.47446743     1.59709665    
H    -0.11572787    -0.96174241     2.82511054    
H     0.60308197     0.41304863     1.87990843    
H    -1.65039662     0.83448038    -1.81912820    
021
G15_01610 
N    -1.40661855     1.01242359     2.14937396    
C    -2.01138021     0.97194878     0.86026599    
C    -1.16861794     1.01309559    -0.40311895    
C     0.23087019     0.57011147    -0.30997432    
C     0.27155615    -0.77667147     0.02318571    
N    -0.99359107    -1.33681318     0.28435927    
C    -1.97399184    -0.30622015    -0.07561207    
C    -3.13911476    -0.73752288    -0.75896740    
N    -4.09766250    -1.08469304    -1.30570879    
N     1.45940176    -1.46456400     0.18907003    
C     2.61671427    -0.65791742     0.01259690    
F     3.72717336    -1.33713811     0.21221454    
N     2.64962860     0.58257869    -0.31053658    
C     1.43550755     1.34156215    -0.53428263    
O     1.52659945     2.48945967    -0.86748777    
H    -1.92451054     0.51891235     2.85851785    
H    -0.43910291     0.73245770     2.14892860    
H    -2.97716826     1.51201934     0.84880406    
H    -1.42862350     1.70312134    -1.20617791    
H    -1.20084538    -2.28884796     0.01979685    
H     1.49159882    -2.43409325     0.47493848    
028
G15_01796 
O     3.98670574    -0.50120465     0.39510116    
C     2.89612403    -0.41158493    -0.47106805    
C     1.87868043    -1.50205546    -0.28822357    
C     0.67192407    -0.97534630     0.04211671    
C    -0.53186964    -1.79653260     0.37633169    
O    -1.58372084    -1.49456976    -0.52180375    
C    -2.84557336    -1.27599525     0.05816958    
O    -3.31898709     0.02322698    -0.16217261    
C    -2.51520006     1.13330002     0.05411083    
C    -1.36516585     1.32403334    -0.96983382    
C    -0.34242493     1.38479290     0.20553003    
C    -1.49542102     1.12248861     1.22516580    
N     0.74300187     0.43120541     0.15756180    
C     2.06240836     0.86540249    -0.17465897    
O     2.38283087     2.01807805    -0.19255627    
H     3.69061382    -0.69838944     1.31275147    
H     3.35868607    -0.36839612    -1.48278927    
H     2.14137562    -2.52966611    -0.41792825    
H    -0.32531482    -2.87774398     0.20012391    
H    -0.81362843    -1.66715868     1.44016561    
H    -3.54528658    -1.88085199    -0.55780928    
H    -2.88169968    -1.50523906     1.13473415    
H    -3.26653720     1.94401085     0.08496106    
H    -1.23476306     0.47515477    -1.65134946    
H    -1.42283164     2.22857733    -1.57627646    
H     0.10362195     2.40306636     0.33477758    
H    -1.63184365     1.92756428     1.95261082    
H    -1.42986951     0.19303640     1.78567870    
028
G15_01964 
N     0.91418641    -1.24528485     1.57499439    
C     0.89295686    -0.88147855     0.34181281    
N    -0.08744890    -1.43448672    -0.51987639    
C    -1.48384835    -1.40279207    -0.17778890    
C    -2.02358277    -0.93245865     1.13882675    
C    -2.19648940     0.01327892    -0.04184032    
C    -1.28193418     1.14694220    -0.27100593    
C    -0.37636615     1.53858757     0.63295691    
C     0.84724949     2.30678780     0.26476352    
C     2.06876063     1.37254201     0.41720493    
C     1.90471851     0.04230346    -0.34447440    
C     3.25846219    -0.64478636    -0.41693567    
O     3.97658053    -0.48229014    -1.36772147    
C    -3.50556265     0.17543433    -0.58169070    
N    -4.56763575     0.31516229    -1.01931854    
H     1.63053501    -0.92295233     2.19854505    
H     0.06789337    -1.24829999    -1.51207777    
H    -2.02753209    -2.19686022    -0.71892993    
H    -2.90266345    -1.42497052     1.55741098    
H    -1.34846845    -0.67373905     1.95923501    
H    -1.31264655     1.55785042    -1.28145451    
H    -0.42352533     1.22200003     1.67644166    
H     0.79676271     2.70316739    -0.76918909    
H     0.97386721     3.19774839     0.91404450    
H     2.96851926     1.90115625     0.03524830    
H     2.26083850     1.18541593     1.49023722    
H     1.57436755     0.28876714    -1.38709844    
H     3.55018960    -1.28074852     0.42647750    
036
G15_02109 
C    -1.10628986    -0.97562020     2.38023865    
N    -0.76012103    -0.00769350     1.33573499    
C    -1.94363277     0.60458226     0.61654087    
C    -1.62880510     2.09777589     0.39239843    
N    -0.50863276     2.38071521    -0.53047858    
C     0.75442035     1.71631133    -0.15864132    
C     0.86941087     0.21019884    -0.53318595    
C     2.18222483    -0.36662531     0.02564629    
O     2.18703927    -1.72187488    -0.39557679    
C     3.43212423     0.32394380    -0.55152245    
O     4.50861238    -0.33109508     0.10699462    
C    -0.29429247    -0.62287728     0.03324849    
C    -1.66138608    -0.27115301    -0.65101042    
C    -2.59764245    -1.46244136    -0.81854752    
N    -3.97417339    -0.98021954    -1.08350173    
H    -0.18203766    -1.47724225     2.71700382    
H    -1.51957237    -0.42422690     3.24273845    
H    -1.83288101    -1.74726791     2.08530791    
H    -2.92618312     0.44773844     1.08525682    
H    -2.52907755     2.61907285     0.00346494    
H    -1.38166792     2.56231563     1.37564250    
H    -0.76678017     2.14958556    -1.48792257    
H     1.56316270     2.28785384    -0.66626065    
H     0.90669573     1.83228424     0.94013396    
H     0.86792206     0.09738916    -1.64206924    
H     2.19683888    -0.35405063     1.13973243    
H     3.06163859    -2.12096826    -0.19561403    
H     3.51662065     0.16807882    -1.64018934    
H     3.46943550     1.39914320    -0.31057958    
H     5.36176568    -0.04239203    -0.26675015    
H    -0.05130031    -1.69782831     0.07452159    
H    -1.58045539     0.28523133    -1.59326114    
H    -2.21043778    -2.13204985    -1.61824163    
H    -2.63994588    -2.07090951     0.11431165    
H    -3.98667759    -0.23703042    -1.76154683    
H    -4.57175753    -1.72456402    -1.40415021    
039
G15_02252 
C    -3.02915677     2.41178905    -0.49268782    
C    -2.21354344     1.41760328     0.34156283    
N    -0.99731581     1.03596687    -0.40860127    
C    -0.23450373    -0.09868275     0.08286494    
C    -0.46044984    -0.57764797     1.57224681    
C    -0.79119712    -2.00855116     1.08329116    
C    -0.75056762    -1.53219716    -0.39655823    
C    -2.07914922    -1.58993409    -1.12786579    
O     0.21782538    -2.19479881    -1.15617224    
C     0.84459836    -0.38249273     2.33608486    
C     1.68650790     0.56028841     1.46467470    
C     1.32010298     0.24746410    -0.01481728    
N     2.17873914    -0.86424460    -0.45614550    
C     1.59272361     1.45809079    -0.93505527    
C     3.06573407     1.86883134    -0.93300357    
H    -2.40475475     3.25611610    -0.81555626    
H    -3.44758917     1.94685705    -1.39090536    
H    -3.86075965     2.82084905     0.09026782    
H    -1.87690091     1.90373318     1.28679968    
H    -2.84664139     0.54976468     0.62527334    
H    -1.18497866     0.94157414    -1.40606069    
H    -1.30116356    -0.10199057     2.09287498    
H    -0.02514218    -2.75399725     1.31798179    
H    -1.75210516    -2.39746164     1.42175052    
H    -2.86863282    -1.04169541    -0.60121352    
H    -1.99076800    -1.16589167    -2.13686241    
H    -2.42713041    -2.62464483    -1.23740989    
H    -0.08363994    -3.08470519    -1.42410992    
H     0.67344842     0.04243149     3.33801634    
H     1.36983773    -1.33960376     2.49769860    
H     1.45450460     1.61421895     1.69062164    
H     2.76772536     0.42571322     1.63154724    
H     2.01715304    -1.70128196     0.08435637    
H     2.03152007    -1.08857561    -1.43019555    
H     1.26962748     1.21804975    -1.96428397    
H     0.96821747     2.31604167    -0.61182300    
H     3.36865168     2.26833121     0.03971097    
H     3.71524316     1.00682995    -1.14172670    
H     3.26289057     2.63276074    -1.69006905    
032
G15_02320 
C    -3.43837038     0.06524614    -0.79239322    
O    -2.08343062    -0.25405906    -1.05507754    
C    -1.22239271    -0.21416068     0.06687227    
C    -1.82225917    -0.73207820     1.26939879    
C    -2.29887332    -1.17624584     2.28924497    
C     0.03955776    -1.05416871    -0.33289357    
C    -0.08664546    -1.67351053    -1.71861637    
C     1.24286821    -0.09039318    -0.25072671    
C     0.77090950     1.09301923     0.63023478    
O     1.53600159     2.23558116     0.37285507    
C    -0.73504311     1.26727250     0.28556913    
N    -0.83765181     2.09346936    -0.92866948    
C     2.50449427    -0.70525200     0.31778044    
N     3.60066435     0.17878823     0.30188952    
N     2.54922827    -1.93394828     0.69786267    
H    -3.54247888     1.01875475    -0.27037098    
H    -3.87380201     0.12172859    -1.79826323    
H    -3.91362183    -0.74090726    -0.22162127    
H    -2.70118792    -1.55637620     3.15696613    
H     0.17203601    -1.88363948     0.41254595    
H    -0.21242336    -0.92157553    -2.50456930    
H     0.80624203    -2.26966049    -1.95366784    
H    -0.95489222    -2.34381498    -1.77334090    
H     1.48455289     0.29597121    -1.27523545    
H     0.92659573     0.90454753     1.71370911    
H     1.12626195     2.76643789    -0.35828175    
H    -1.27626500     1.76039172     1.12176921    
H    -0.73369500     1.52967813    -1.76466410    
H    -1.72515340     2.56771373    -0.98377494    
H     3.39079283     1.16299668     0.22839956    
H     4.40671659    -0.03570629     0.84919604    
H     3.38972176    -2.34272873     1.05896097    
027
G15_02345 
C     3.78648838     0.45839216     0.21990397    
C     2.35039943     0.24021318    -0.20626313    
O     1.87950777     1.34717614    -0.91688274    
C     2.14035718    -0.97880255    -1.20729559    
N     0.79013031    -1.53037497    -0.94409649    
C     0.39891215    -1.04179871     0.18187599    
C     1.40006709    -0.14891388     0.96503513    
N     0.52128170     0.82677693     1.61777629    
C    -0.70630499     0.40939342     1.51303354    
N    -0.86138112    -0.84583377     0.80033950    
C    -2.04484046    -1.23361939     0.09576967    
C    -3.40686199    -0.78592947     0.55805000    
C    -2.87532898    -0.24734684    -0.76079292    
C    -2.50563391     1.12518364    -0.85847030    
N    -2.21601472     2.24254078    -0.93774970    
H     4.24180456    -0.44103659     0.64638420    
H     4.39950124     0.77305086    -0.63801249    
H     3.86020496     1.25743150     0.97151061    
H     1.63012555     2.08428474    -0.31462042    
H     2.15492221    -0.61477278    -2.25837303    
H     2.92114726    -1.74803034    -1.09278388    
H     1.96205763    -0.70707131     1.75153131    
H    -1.57781763     0.89073871     1.94780218    
H    -1.92233105    -2.25932491    -0.31392533    
H    -4.23445804    -1.49633978     0.54866712    
H    -3.52070049    -0.11882985     1.40984025    
H    -3.30172551    -0.64400149    -1.70150207    
037
G15_02497 
C    -2.52056166    -0.77376299     1.73570327    
C    -1.18518972    -0.41688252     1.08267114    
C    -0.77870846    -1.38306632    -0.04106300    
C    -1.51473034    -1.16044686    -1.37591460    
C    -2.58250150    -0.06361386    -1.32725283    
C    -2.11708763     1.23340027    -0.65267632    
C    -1.15302145     1.01952891     0.52853856    
C     0.29589126     1.35230940     0.15360085    
C     0.80605644     2.58946546     0.85427082    
N     0.81820037     1.16646882    -1.21893688    
C     1.25670508     0.20054108    -0.19085109    
C     2.71834601     0.32670717     0.22026481    
N     3.54839640    -0.68507323    -0.48382864    
C     0.74887932    -1.24488864    -0.25022769    
O     1.30760465    -2.00076651     0.80499128    
H    -3.35369069    -0.75088945     1.02634756    
H    -2.48549176    -1.78202047     2.16600368    
H    -2.76088782    -0.07755107     2.54652846    
H    -0.40130834    -0.49434604     1.88796818    
H    -0.96897321    -2.42905820     0.30926089    
H    -0.79496965    -0.93382994    -2.18513179    
H    -1.99320147    -2.11135482    -1.68601873    
H    -2.92746265     0.16020224    -2.35548868    
H    -3.47666160    -0.45207220    -0.79818439    
H    -1.65760855     1.90854621    -1.39987898    
H    -3.00927862     1.78363608    -0.29287895    
H    -1.46905389     1.70754425     1.35250159    
H     1.00704557     2.38760006     1.91311758    
H     1.73125880     2.96830946     0.39602772    
H     0.07822024     3.40944910     0.79144571    
H     0.16761013     0.83184040    -1.91966128    
H     3.07701164     1.36455263     0.03320639    
H     2.80134436     0.13810264     1.31664772    
H     3.42330575    -0.62271281    -1.48383572    
H     4.52711578    -0.55673638    -0.27879481    
H     1.06892544    -1.71217872    -1.21131070    
H     2.28713206    -2.05534808     0.68078681    
033
G15_02701 
C    -0.71305327     0.43938606     2.21964334    
C    -1.31595410     0.52183950     0.82801569    
C    -0.71169578     1.61532388    -0.11136139    
C     0.30044100     2.57645025     0.55397983    
N     0.89404595     3.54210210    -0.38849066    
N    -0.18204599     0.96809915    -1.32908544    
C     0.96748422     0.03345475    -1.28291974    
C     1.96070411    -0.09938726    -0.16073128    
C     2.80917465    -1.36758027    -0.33370840    
O     2.18890488    -2.49495718     0.24108989    
C    -0.46055561    -0.48878187    -1.27054794    
C    -1.17524273    -0.83343092     0.03929576    
O    -0.36452854    -1.77496224     0.70725580    
C    -2.47269461    -1.42344641    -0.20330901    
C    -3.55197624    -1.92916443    -0.41005027    
H     0.34527531     0.14107962     2.20369189    
H    -0.77543012     1.40223317     2.74405034    
H    -1.24647709    -0.28987849     2.84409116    
H    -2.40526124     0.74896563     0.94092175    
H    -1.56524514     2.24197218    -0.50100620    
H    -0.20677381     3.14453972     1.36516325    
H     1.13246782     2.02126691     1.03655311    
H     1.34955934     3.06290327    -1.15350865    
H     0.19523252     4.15265921    -0.78345726    
H     1.47468490    -0.00145369    -2.27241639    
H     2.61600497     0.79585995    -0.13639703    
H     1.46174373    -0.13937324     0.83131109    
H     2.99685149    -1.61023616    -1.39578417    
H     3.77410077    -1.29192697     0.20224304    
H     1.22545663    -2.35411413     0.31315520    
H    -0.86298728    -0.97794131    -2.16273389    
H    -0.74734882    -2.03878731     1.57014231    
H    -4.47177758    -2.35816582    -0.58796668    
030
G15_02946 
C     3.80843160     0.66521175     0.60548289    
C     2.79988775    -0.37003667     0.17245708    
C     3.25569475    -1.53510886    -0.69144251    
C     2.88988340    -1.77251121     0.75153509    
C     1.47061010     0.20979155    -0.08135496    
C     0.40869787     0.18848542     0.73502911    
C    -0.77187841     0.90466430     0.12042826    
O    -1.14623778     2.02179790     0.91366592    
C    -0.27634538     1.38760676    -1.27318588    
C     1.19475077     0.93161060    -1.37568993    
C    -1.99920220     0.07146833     0.07615324    
C    -3.14561629     0.15856936     0.87371108    
N    -3.97068299    -0.86044153     0.41589182    
N    -3.34915915    -1.52441367    -0.60424674    
N    -2.19516871    -0.98933689    -0.81542020    
H     4.79104297     0.22292888     0.81079488    
H     3.95170411     1.43148043    -0.16713186    
H     3.48247870     1.17346693     1.52316006    
H     2.60103216    -1.90618956    -1.47648294    
H     4.29170060    -1.59671210    -1.00649695    
H     3.66167657    -2.00587382     1.47714371    
H     1.97523720    -2.31083986     0.98990476    
H     0.32242482    -0.25853335     1.70565423    
H    -0.35393315     2.52518305     1.18825450    
H    -0.88662307     0.95069751    -2.08188905    
H    -0.38329028     2.47974988    -1.35979136    
H     1.88273199     1.78133243    -1.52023934    
H     1.34747764     0.25892568    -2.24028955    
H    -3.39429474     0.83830497     1.66413496    
H    -4.88229254    -1.12428860     0.72828737    
035
G15_03119 
C    -4.54812420     1.27681676    -0.02938531    
O    -3.24321167     0.83347333    -0.34945981    
C    -2.83899673    -0.28501119     0.43244771    
C    -1.42091372    -0.53722065     0.01270405    
N    -1.09066378    -1.21948402    -1.25260360    
C    -0.72328523    -1.91180311     0.00230156    
C     0.70612080    -1.57191058     0.54452881    
N     0.40349996    -0.47875638     1.53205543    
C    -0.31934752     0.42077126     0.56505319    
C     0.81687534     0.64146862    -0.49323523    
C     1.68269430     1.82554521    -0.04655535    
C     3.17037714     1.61359576    -0.33235722    
C     3.61584519     0.32240799     0.36068388    
C     3.01042793    -0.87290463    -0.37607683    
C     1.49324769    -0.78060935    -0.55436360    
H    -5.29093748     0.49436796    -0.20925928    
H    -4.60120284     1.63854764     1.00182352    
H    -4.69723768     2.10896439    -0.73112080    
H    -2.90703507    -0.03813326     1.50929253    
H    -3.50652079    -1.14088599     0.22088843    
H    -1.87403434    -1.60172349    -1.76968614    
H    -1.15228432    -2.86018368     0.28002883    
H     1.23602418    -2.42155098     0.98554002    
H    -0.16826348    -0.78302291     2.30935280    
H    -0.71555210     1.33694371     1.01708949    
H     0.37498163     0.86001771    -1.48839531    
H     1.32494233     2.74903290    -0.53720322    
H     1.55829298     1.99087354     1.04447149    
H     3.35425769     1.55439405    -1.42003121    
H     3.75590528     2.47461953     0.03449362    
H     4.71556747     0.24520691     0.38377966    
H     3.27692018     0.32252898     1.41640094    
H     3.48446048    -0.95665799    -1.37500574    
H     3.27111258    -1.80811393     0.15424113    
H     1.25234867    -1.22177841    -1.55253611    
032
G15_03152 
C    -3.87908107    -1.49805447     0.54063257    
O    -2.65289054    -1.62116108    -0.15359139    
C    -1.66892765    -0.66708006     0.21682753    
C    -0.34132347    -1.41443300    -0.06070705    
C     0.71979650    -0.38963636    -0.37913594    
C     0.68112095     0.77153050     0.67213988    
O     0.10737686     1.93224393     0.13218119    
C    -1.20543817     1.86930369    -0.26973389    
O    -1.74290086     2.94077992    -0.37478171    
C    -1.87413204     0.58073488    -0.66510636    
C     2.22208637     0.94267307     0.91687411    
C     2.54399976    -0.56775962     1.27613836    
C     2.25057580    -0.73640452    -0.26934336    
C     2.80485413    -1.84931968    -1.08503378    
N     2.86913026     0.66013495    -0.41911501    
H    -4.49536554    -2.28605245     0.08770548    
H    -3.74215450    -1.69329413     1.60874016    
H    -4.33947492    -0.51905326     0.37670250    
H    -1.76576718    -0.40879316     1.29273022    
H    -0.07127180    -2.04458721     0.80527271    
H    -0.48135266    -2.12708180    -0.89990655    
H     0.54684279     0.00643985    -1.40691336    
H     0.15418096     0.53496632     1.61356298    
H    -1.58978462     0.34192109    -1.71513639    
H    -2.97291392     0.77801179    -0.73334934    
H     2.58361158     1.78785800     1.48228219    
H     3.58405546    -0.74514597     1.55395879    
H     1.89144092    -1.08123566     1.97078790    
H     2.40990384    -2.82164787    -0.76176452    
H     2.57359645    -1.73332467    -2.15308478    
H     3.90291415    -1.89276993    -1.00194013    
H     2.54388480     1.22003400    -1.19152681    
033
G15_03459 
C     2.42838503    -0.82664615    -1.87503441    
C     2.85735000    -0.41720240    -0.46168153    
C     4.05582614     0.53755497    -0.53011494    
C     1.70079342     0.21917432     0.34283310    
C     0.98966678     1.30479994    -0.47953083    
O     0.35053878     2.17864708     0.44128771    
C     0.72659376    -0.89416866     0.82956083    
C     1.30326346    -1.61054280     2.06166804    
N    -0.58173637    -0.33709087     1.24779006    
C    -1.59539631    -0.34441408     0.30287031    
C    -2.66873324     0.51765613     0.15476288    
O    -2.93194431     1.73388344     0.63000053    
O    -3.53649460    -0.00216441    -0.81469098    
C    -2.91769379    -1.15652275    -1.24428939    
N    -1.77697146    -1.39576505    -0.63228329    
H     3.20386739    -1.42927989    -2.36072880    
H     1.51042493    -1.42731073    -1.86244574    
H     2.24522379     0.04098707    -2.51688408    
H     3.18603031    -1.33966579     0.08203767    
H     3.80671336     1.47141839    -1.04561291    
H     4.41462442     0.80309184     0.47038334    
H     4.89302595     0.08120419    -1.06939340    
H     2.12827143     0.72527557     1.24611482    
H     1.71386268     1.95008340    -1.01277027    
H     0.26818257     0.88904002    -1.19931845    
H    -0.61036501     2.23115876     0.27334536    
H     0.56260738    -1.64393042     0.01005509    
H     1.47113854    -0.91941360     2.89472328    
H     0.60336877    -2.38004299     2.41643842    
H     2.25186265    -2.10261532     1.82956753    
H    -0.48537702     0.55315024     1.74714628    
H    -3.79756617     1.73138006     1.13243628    
H    -3.43728184    -1.70481095    -2.00492525    
039
G15_03642 
C     0.38680129     3.23460838    -0.32838718    
C    -0.58045510     2.06192238    -0.48474337    
C     0.01641575     0.67108181    -0.20247435    
C    -0.98497739    -0.46013214    -0.55856644    
C    -2.40471420    -0.46804417     0.06306759    
C    -3.36007029     0.45985288    -0.70870157    
C    -2.94163252    -1.91291469    -0.07559849    
C    -2.40367066    -0.09501140     1.54726589    
C     1.31531207     0.41620154    -1.04383945    
C     2.22998399    -0.45297278    -0.15129251    
C     3.66734504     0.06788188    -0.12578246    
C     1.57242210    -0.39989890     1.27056633    
N     0.43643168     0.54180123     1.21902317    
C     2.22946233    -1.82498697    -0.63367297    
N     2.21938634    -2.91535246    -1.01858703    
H    -0.14721005     4.18852527    -0.42801180    
H     0.87689098     3.24325430     0.65027859    
H     1.17144848     3.22759146    -1.09351021    
H    -1.44381436     2.21507017     0.19873184    
H    -1.00143987     2.06442902    -1.50972397    
H    -1.09700026    -0.48732970    -1.65968679    
H    -0.49497686    -1.41859442    -0.28081051    
H    -3.33407862     0.25835632    -1.78358979    
H    -4.39334227     0.32034286    -0.37212724    
H    -3.11909052     1.51487928    -0.55951319    
H    -2.33114179    -2.61883129     0.49693552    
H    -3.96628802    -1.99043738     0.29949154    
H    -2.94428804    -2.24037711    -1.11910557    
H    -2.12047769     0.95051536     1.70556985    
H    -3.38474870    -0.25025112     2.00324105    
H    -1.66799496    -0.69391447     2.10075873    
H     1.08835738    -0.06328611    -2.00740496    
H     1.80956555     1.36620588    -1.30094416    
H     3.71369297     1.09253120     0.26235997    
H     4.31364947    -0.55404599     0.50707247    
H     4.11030370     0.07767628    -1.13044774    
H     1.16773703    -1.39652523     1.55708520    
H     2.29968998    -0.11541026     2.05134190    
H     0.67936333     1.44470625     1.61972007    
035
G15_03832 
C    -0.41515762     4.72906550    -0.12995025    
C    -0.92465184     3.42980611     0.17362678    
C    -1.34817870     2.32341561     0.42920642    
C    -1.83874022     1.00894897     0.72314716    
C    -1.49264738     0.02495735    -0.39417548    
C     0.01557257    -0.42631929    -0.52736072    
C     0.99180089     0.19278081     0.46279671    
C     2.38668966    -0.32283259     0.22219599    
C     2.82190952    -1.54137029     0.96775269    
N     3.11785583     0.34385107    -0.61186073    
O     4.38356527    -0.20021049    -0.77414628    
C    -0.20681857    -1.96359717    -0.34500678    
C    -1.16424003    -2.05707479     0.89080539    
C    -2.11951745    -1.39717638    -0.17221163    
C    -3.58854634    -1.60532790    -0.20911765    
O    -1.38106070    -2.14849299    -1.20826953    
H    -0.09828623     5.27239451     0.77888885    
H     0.46639510     4.67661995    -0.79739622    
H    -1.16641819     5.36073855    -0.63778457    
H    -1.44590376     0.65201413     1.70369995    
H    -2.94921385     1.03343271     0.85344822    
H    -1.83723849     0.43447032    -1.36646360    
H     0.36608975    -0.22540067    -1.56380712    
H     0.96375417     1.30380928     0.35225928    
H     0.69126521    -0.00174313     1.51059178    
H     3.34584585    -2.25010161     0.30526296    
H     3.53714002    -1.27518256     1.76235560    
H     1.98826215    -2.07765867     1.43653820    
H     4.78921016     0.41024968    -1.45910552    
H     0.58470780    -2.66239472    -0.54660114    
H    -1.44094503    -3.07272634     1.16929871    
H    -0.91927501    -1.49213660     1.78117078    
H    -4.08628852    -1.17600591     0.66981932    
H    -4.03780073    -1.15214804    -1.10599506    
H    -3.83776723    -2.67754892    -0.24192398    
031
G15_04046 
C     1.76574113     2.04289637    -1.01511188    
C     1.18150094     1.12662946     0.05994754    
C     1.94281454     1.31879897     1.37615037    
C    -0.33432460     1.42398387     0.27574165    
C    -1.08920736     0.07685468     0.43929711    
N    -1.38439256    -0.21036623     1.85387006    
C    -2.40075906     0.15260692    -0.36929523    
N    -3.57811154     0.28715427     0.32073187    
O    -2.39423860     0.14392226    -1.58510181    
C    -0.15050499    -0.96334908    -0.18382522    
O    -0.34386514    -2.19968094     0.37708778    
C     0.38200000    -0.77036920    -1.56993669    
C     1.25011648    -0.34401725    -0.38136064    
C     2.44261097    -1.05355979    -0.13268961    
C     3.46750737    -1.66498636     0.07514799    
H     1.25001340     1.92291103    -1.97577686    
H     1.69598440     3.09701965    -0.72719098    
H     2.82468658     1.81564661    -1.19114830    
H     1.83615490     2.34021158     1.75586888    
H     1.59174419     0.62975895     2.15122925    
H     3.01632058     1.13032290     1.24485997    
H    -0.49776449     2.07852051     1.14715704    
H    -0.73743684     1.98134667    -0.59164698    
H    -1.56691220    -1.19970896     1.99215503    
H    -0.61240679     0.05077540     2.45164585    
H    -3.59464415     0.29987376     1.32234216    
H    -4.44642238     0.34634025    -0.16798808    
H     0.07072354    -2.91047587    -0.16386823    
H     0.68826728    -1.62556206    -2.16573363    
H    -0.07192188    -0.01842617    -2.22026170    
H     4.33763304    -2.18203192     0.25195482    
036
G15_04343 
C     2.75475191    -0.52065585    -1.64758504    
C     1.33415193    -0.29418797    -1.12665246    
C     0.90610357    -1.37081478    -0.11650284    
C     1.74623294    -1.30083760     1.16889338    
C     1.69506487     0.07665804     1.83393068    
C     1.98184252     1.20923624     0.84000770    
C     1.18368996     1.09230899    -0.46875213    
C    -0.30191990     1.33407214    -0.25101496    
C    -0.83147191     2.59408402    -0.88115957    
O    -0.82380677     1.06662252     1.05395564    
C    -1.19663297     0.15379832     0.01316719    
C    -2.66900952     0.23890159    -0.34159771    
O    -3.43133078    -0.65314015     0.44949625    
C    -0.61894941    -1.25552254     0.18479297    
N    -1.31937798    -2.18388847    -0.74242208    
H     3.49917659    -0.45555957    -0.84652586    
H     2.85168913    -1.50968763    -2.10931488    
H     3.02064401     0.22384110    -2.40552987    
H     0.63479582    -0.35116183    -2.00264665    
H     1.09122115    -2.37092970    -0.58540614    
H     1.40977728    -2.07445719     1.88408385    
H     2.79639716    -1.55566579     0.92581417    
H     0.70268053     0.23058746     2.30325221    
H     2.42404227     0.12030638     2.66492839    
H     1.75367361     2.18115683     1.31949298    
H     3.06250298     1.22705454     0.60181989    
H     1.57917084     1.86061055    -1.17863625    
H    -0.98728215     2.46246699    -1.95958552    
H    -1.78390698     2.91100450    -0.43412964    
H    -0.13542197     3.43315705    -0.74194544    
H    -3.07437763     1.25855927    -0.20520209    
H    -2.85984781    -0.10371347    -1.37963052    
H    -3.32099742    -0.44018143     1.39939689    
H    -0.79397673    -1.54083646     1.25852025    
H    -0.97844809    -3.12680956    -0.64538290    
H    -2.31693969    -2.18052022    -0.57610474    
038
G15_04379 
C    -4.76063543    -0.48544608    -0.27935375    
C    -3.37766638    -0.67619586     0.33900237    
C    -2.35241553     0.23359045    -0.36031417    
O    -2.73789108     1.58206412    -0.18447524    
C    -0.91950461     0.02182131     0.18910301    
C    -0.45702192    -1.43311153    -0.13157772    
N     0.87934011    -1.49143688    -0.75371267    
C     2.03104317    -1.48108055     0.18368570    
C     3.24113249    -0.79763196    -0.51329891    
C     2.89356171     0.51660083    -1.21889277    
C     2.51539989     1.65996978    -0.26994270    
C     1.19943977     1.46334144     0.51878267    
C     0.00744833     1.09681210    -0.39605323    
C     1.41336463     0.48526379     1.63504172    
C     1.75795137    -0.79666827     1.49348576    
H    -4.79158480    -0.84029834    -1.31542808    
H    -5.53038458    -1.02441450     0.28147691    
H    -5.04013031     0.57753500    -0.29541676    
H    -3.40938991    -0.44585083     1.42009342    
H    -3.07211960    -1.73523394     0.26549021    
H    -2.38468436     0.12803733    -1.46730559    
H    -2.73910254     1.82853756     0.75906799    
H    -0.95428971     0.14071865     1.29686990    
H    -0.51185554    -2.03474372     0.80117487    
H    -1.16987134    -1.89323871    -0.85360047    
H     0.95010646    -2.28863971    -1.38140602    
H     2.33404700    -2.54442278     0.40484717    
H     4.02982916    -0.62470747     0.24207775    
H     3.66635921    -1.49899024    -1.25554057    
H     3.75650736     0.83360333    -1.83630905    
H     2.06071704     0.33194671    -1.93236361    
H     3.33817776     1.82630006     0.45127381    
H     2.43015478     2.59321854    -0.86100122    
H     0.95572645     2.45837987     0.98014029    
H     0.37487519     0.75014908    -1.38519734    
H    -0.56744162     2.01952359    -0.61276974    
H     1.26414451     0.90614915     2.63089087    
H     1.89524060    -1.43510250     2.36443354    
030
G15_04381 
C    -4.58427354    -1.14708312    -0.39999364    
O    -3.18838897    -1.26698141    -0.20456149    
C    -2.64120390    -0.31218526     0.68360696    
C    -1.22988287    -0.85081440     1.02656028    
C    -0.21988847     0.20053601     0.49058427    
C     0.72730145    -0.39398459    -0.55793883    
C     1.92085848    -1.08158696     0.10589709    
O     2.24978517    -2.16196804    -0.74163701    
C     3.17133370    -0.20619539     0.27737831    
N     3.04539461     1.15034110     0.42608664    
O     4.26634198    -0.73875719     0.34094604    
C    -1.09024583     1.28060679    -0.10618196    
C    -0.50226948     2.50368903    -0.66309541    
O     0.66640614     2.78137333    -0.51004854    
C    -2.39895786     1.00452063    -0.02407062    
H    -4.80172364    -1.96783678    -1.09767870    
H    -5.12862635    -1.29488974     0.53750926    
H    -4.84053684    -0.18746086    -0.85649977    
H    -3.28552320    -0.19576120     1.57773889    
H    -1.11519964    -1.01037056     2.10740041    
H    -1.07923028    -1.84057803     0.55194221    
H     0.36809759     0.62904752     1.33792787    
H     0.19174409    -1.13900034    -1.19104276    
H     1.06346898     0.37229111    -1.28235579    
H     1.65138309    -1.51703665     1.09963189    
H     3.20532330    -2.39957195    -0.63979638    
H     2.19035862     1.64727881     0.24745757    
H     3.87010752     1.71195112     0.52971293    
H    -1.15808612     3.18408151    -1.22438612    
H    -3.22671970     1.58496274    -0.38847185    
034
G16_00143 
C    -1.39138907    -1.59928953     1.61711436    
C    -2.16183446    -1.26707585     0.34489280    
C    -2.76734358     0.15467706     0.38703698    
C    -2.01945742     0.97335247    -0.69878146    
C    -1.64543774    -0.08600407    -1.75021677    
C    -1.24130105    -1.30552435    -0.91311076    
O     0.11095492    -1.32725604    -0.50434439    
C     0.87867282    -0.16625031    -0.70312626    
C     0.39381917     1.09185804    -0.00394022    
C     1.53420470     1.60852081     0.76644133    
C     2.56612454     0.74439493     0.76875716    
C     2.23653554    -0.45848562    -0.03473652    
C     2.73072785    -1.83324730     0.22471834    
O     3.25211513    -1.03816636    -0.84788617    
C    -0.83458769     1.62529628    -0.04494695    
C    -1.13877094     2.91561965     0.64828542    
H    -0.60243555    -0.85671193     1.80544135    
H    -2.04740774    -1.62721808     2.49141617    
H    -0.88803024    -2.57032805     1.53348434    
H    -2.97609945    -2.01298079     0.20761909    
H    -3.84649184     0.12813508     0.17198753    
H    -2.66410047     0.61270539     1.38286672    
H    -2.68290895     1.74424033    -1.14761733    
H    -2.51745935    -0.32524590    -2.38444006    
H    -0.86062486     0.25307674    -2.44141345    
H    -1.32722260    -2.26604545    -1.46318386    
H     1.01299911    -0.00446723    -1.79744074    
H     1.49202898     2.56421599     1.26054128    
H     3.52326892     0.84803978     1.24515881    
H     3.42751025    -2.03549251     1.03274229    
H     2.13898233    -2.69484298    -0.08225478    
H    -0.83966517     2.88733597     1.70629803    
H    -0.59825056     3.75062281     0.17712398    
H    -2.20574590     3.17129467     0.62942149    
028
G16_00367 
C     1.44577227    -1.11758792     1.38760036    
C     1.43584555    -0.29006462     0.09074508    
C     2.18696446     1.05551370     0.30843131    
C     3.56203751     0.85737970     0.65515450    
C     4.72611139     0.70213471     0.94904513    
C     2.06874136    -1.01757996    -0.98242481    
C     2.61530784    -1.61783346    -1.87988016    
C    -0.03710753    -0.03578401    -0.27974644    
N    -0.47639116     1.16616818    -0.20100094    
C    -1.82336690     1.53475490    -0.46014851    
N    -2.03117593     2.44079102    -1.34323533    
C    -2.82095380     0.85926431     0.39177745    
C    -2.90241830    -0.48486645     0.43209434    
O    -3.84126691    -1.14131764     1.15977754    
C    -2.08280529    -1.44835166    -0.29678918    
C    -0.80674699    -1.23707445    -0.65041222    
H     0.94194657    -0.58408311     2.20259232    
H     0.95128253    -2.08669112     1.25982970    
H     2.47621796    -1.31529922     1.71454438    
H     2.09190034     1.68275028    -0.61468364    
H     1.65602596     1.65065037     1.09343904    
H     5.71368061     0.57136906     1.19528454    
H     3.08426457    -2.12484517    -2.64195444    
H    -2.95709354     2.79384932    -1.50661666    
H    -3.47515597     1.50906140     0.96121866    
H    -4.42206784    -0.52961974     1.67935621    
H    -2.58963647    -2.39373242    -0.53086448    
H    -0.25020265    -1.99114437    -1.21904647    
037
G16_00423 
C    -4.79909501     1.01240977    -0.58737451    
C    -3.31692856     1.32243900    -0.31426577    
C    -3.14816192     1.83044572     1.13049477    
N    -2.55888512     0.08291827    -0.59632493    
C    -1.09358658     0.30893341    -0.65721669    
C    -0.35591145    -1.01157040    -0.43319588    
C    -0.67772730    -2.04285269    -1.49020500    
C     1.20217025    -0.91309795    -0.12255595    
C     1.83901406     0.46732508    -0.17388525    
C     3.35552450     0.36533063     0.11278255    
N     4.01393860    -0.43861381    -0.93031655    
C     3.91188675     1.71974582     0.21052133    
N     4.36258002     2.78127402     0.28021327    
N     0.90669823    -1.34738256     1.28933350    
C    -0.48963423    -1.54948188     1.01442317    
N    -1.49302094    -1.92367001     1.68755396    
H    -5.40959078     1.91666442    -0.52625796    
H    -4.92277052     0.58227571    -1.58971005    
H    -5.19619171     0.28333251     0.12719671    
H    -2.96741454     2.11014850    -1.02947231    
H    -3.42889072     1.05942939     1.85738340    
H    -2.11375478     2.11660220     1.34188336    
H    -3.77897959     2.70445178     1.31688365    
H    -2.77269866    -0.64392601     0.09462338    
H    -0.86255412     0.70777859    -1.67101489    
H    -0.75081985     1.06738738     0.08126102    
H    -0.33328459    -1.72043492    -2.48090186    
H    -0.23478917    -3.02161451    -1.27733545    
H    -1.76891410    -2.19165946    -1.57127250    
H     1.79903888    -1.64884583    -0.70222524    
H     1.65710115     0.92874302    -1.16363845    
H     1.37086861     1.13781284     0.57898572    
H     3.50475258    -0.16834697     1.10099649    
H     3.89165588    -0.05679216    -1.85430220    
H     4.99463840    -0.58113267    -0.74998515    
H     1.48070315    -2.03128895     1.73639920    
H    -1.43043722    -2.26520273     2.62834544    
039
G16_00852 
C    -5.04724384     0.40891761     0.32494424    
O    -3.68751854     0.62626514     0.00165625    
C    -2.92730169    -0.57379996     0.00404818    
C    -1.50053503    -0.10196374    -0.35683623    
C    -0.94265031     0.82381514     0.73184114    
C     0.35467786     1.43087367     0.29347173    
N     0.49394329     2.35354892    -0.60331164    
O    -0.70848984     2.73772877    -1.17225430    
C     1.56474016     0.96744012     1.02362351    
C     2.11655036    -0.44940479     0.92519718    
N     2.88596521     0.70324180     0.41980400    
C     3.11430250     0.94080680    -0.99862280    
C     1.55264450    -1.61675637     0.12375409    
C     2.73422590    -2.32573669    -0.56367046    
C     0.89619664    -2.58573246     1.12369030    
C     0.51086232    -1.26757023    -0.96286850    
O    -0.78637953    -1.32332950    -0.39977944    
H    -5.52626286    -0.24918699    -0.40617127    
H    -5.15187470     0.00998152     1.33844621    
H    -5.47565615     1.41801539     0.26599922    
H    -2.96045512    -1.05069432     0.99716896    
H    -3.31468206    -1.27452462    -0.75512101    
H    -1.48830737     0.38877878    -1.35532242    
H    -1.69079694     1.62629733     0.93980703    
H    -0.82683823     0.26029552     1.67911064    
H    -0.42743879     3.48876690    -1.77823519    
H     1.64128166     1.48602056     2.00242463    
H     2.58130183    -0.83804416     1.85917637    
H     2.35178416     0.55889014    -1.69192166    
H     3.18615374     2.03562383    -1.15758444    
H     4.09038649     0.49444733    -1.26095786    
H     3.54029591    -2.53410685     0.15035374    
H     2.42836446    -3.28433327    -0.99627607    
H     3.16496525    -1.71641730    -1.36441118    
H     0.11834110    -2.07804272     1.70868328    
H     0.40284101    -3.41465334     0.60203565    
H     1.62483428    -3.01201986     1.81852249    
H     0.71848425    -0.30868441    -1.45977110    
H     0.47363295    -2.06205065    -1.73629885    
031
G16_00984 
C    -0.38630760     3.06327829    -0.15357362    
C     0.30754467     2.02732372     0.72338915    
C     0.63637417     0.73939519    -0.04008483    
C     1.83329181     0.95549459    -0.99716523    
O     2.96363921     1.35916914    -0.26624133    
O     1.06424654    -0.13246115     1.01812123    
C     1.52359019    -1.36710625     0.66148828    
N     2.57323366    -1.75597542     1.26617841    
N     0.75251642    -2.03504002    -0.32177552    
C    -0.23702827    -1.40347060    -1.08318103    
O    -0.81495425    -2.03015917    -1.93520433    
C    -0.55397242     0.07168082    -0.77356975    
N    -1.81132354     0.12266238    -0.04283440    
C    -3.01578389     0.17583399    -0.88020159    
C    -1.92029164    -0.31259367     1.27887825    
O    -3.01671457    -0.43556517     1.77745498    
H     0.21140976     3.33228432    -1.03108847    
H    -1.36927023     2.71679848    -0.49696564    
H    -0.55812966     3.99065741     0.40980880    
H     1.25508115     2.44714917     1.13405689    
H    -0.31835853     1.79944064     1.61091611    
H     2.08206593     0.04933532    -1.57781908    
H     1.65656775     1.79747486    -1.69352278    
H     3.13817072     0.72027664     0.47089170    
H     2.94834541    -2.68185214     1.23964010    
H     0.94005837    -3.02063723    -0.51117531    
H    -0.69393825     0.60198452    -1.76283364    
H    -3.05606510    -0.66988944    -1.59120575    
H    -3.92337401     0.12370802    -0.24423101    
H    -3.05218713     1.12491888    -1.43892825    
H    -0.98373843    -0.47250556     1.83095865    
037
G16_01211 
C     3.52738153    -0.64416319    -1.00352268    
N     2.39078381    -1.49521736    -0.72512727    
C     1.59230823    -1.35226512     0.27086308    
C     0.52331520    -2.41575132     0.44898733    
C    -0.87879846    -1.84375441     0.66645654    
C    -1.28033850    -0.82737275    -0.41994994    
C    -2.55020578    -1.33148571    -1.16617806    
O    -3.58779016    -1.60269156    -0.25338955    
N    -1.65715229     0.51071602     0.05435040    
C    -1.29226815     1.04918606     1.37534708    
C    -0.69506660     1.64149229     0.11237385    
C    -1.25726597     2.94340162    -0.40465869    
C     0.77417015     1.43791933    -0.25065571    
O     1.22784683     2.70241244    -0.70861328    
C     1.71285124     1.04061612     0.91959958    
N     1.66472817    -0.37564520     1.30575436    
H     3.23405045     0.27292561    -1.53920187    
H     4.10880899    -0.36724315    -0.10722067    
H     4.19939257    -1.21735313    -1.67500726    
H     0.52402139    -3.08460371    -0.44365254    
H     0.80883454    -3.07519643     1.29573984    
H    -1.61418949    -2.68202808     0.67802918    
H    -0.98012722    -1.41019146     1.67717255    
H    -0.45881348    -0.74531355    -1.18201011    
H    -2.89957662    -0.58759574    -1.90456302    
H    -2.36831256    -2.30380446    -1.65668914    
H    -3.80053898    -0.78588822     0.25016739    
H    -2.10473478     1.57383262     1.88947479    
H    -0.68947527     0.49935453     2.08925904    
H    -2.34292641     3.00907554    -0.25363556    
H    -0.78402119     3.79913566     0.09828518    
H    -1.07055430     3.05807067    -1.48230358    
H     0.85523130     0.71002853    -1.09467611    
H     2.07045228     2.60485305    -1.19569813    
H     2.76294168     1.29245130     0.63970967    
H     1.48892837     1.67016413     1.81026354    
H     1.02312247    -0.54491769     2.07799615    
025
G16_01387 
O     4.44970531    -1.39821718     0.54016926    
C     3.32621189    -1.33686133     0.09503042    
C     2.56734958    -0.09994435     0.07993725    
C     1.27557613     0.14136015    -0.42101228    
C     0.30975611    -0.77101701    -1.07811839    
O    -0.72822805    -0.93015819    -0.10139998    
C    -1.92521755    -1.38365836    -0.63214643    
C    -3.10085203    -1.03590511     0.26536011    
C    -2.87228250    -0.33881077     1.47803559    
C    -2.67472606     0.24870677     2.51805340    
C    -2.92516720    -0.30621385    -1.08043080    
C    -2.47094823     1.04335696    -1.08598488    
N    -2.04867142     2.12120019    -1.09607192    
N     1.00521327     1.47416341    -0.18457976    
N     2.03846969     2.08620463     0.44542887    
C     3.00468513     1.15470386     0.61076271    
H     2.84442676    -2.23653583    -0.31372438    
H    -0.09118996    -0.35320943    -2.02267036    
H     0.74511217    -1.77059072    -1.28056787    
H    -1.85044337    -2.33357744    -1.15881739    
H    -3.93100410    -1.76572320     0.32912451    
H    -2.50360841     0.75034317     3.40264711    
H    -3.63990181    -0.54223262    -1.88549697    
H     0.15379500     1.98362386    -0.36331613    
H     3.95094611     1.37052571     1.08067937    
032
G16_01402 
C    -3.14054862    -1.06234808     0.20242103    
C    -2.12153505     0.01613357    -0.16537123    
C    -2.58656641     0.80621704    -1.38990987    
C    -1.86949849     0.97426556     1.04355525    
O    -0.47920395     0.90050470     1.40007670    
C     0.22458141     0.28472248     0.35058303    
O     0.68808146     1.25728950    -0.57344154    
C     1.21865220     2.40018671    -0.02590980    
N     1.46559836     3.28595285    -0.91343551    
C     1.40846011    -0.53892678     0.92131825    
N     1.00876674    -1.39955205     2.04346327    
C     1.94297859    -1.41078070    -0.22191992    
N     3.20402094    -1.52674625    -0.38200287    
N     0.97066751    -2.07493896    -1.02846129    
C    -0.35903250    -1.64218043    -1.08208326    
C    -0.75833266    -0.55481020    -0.40327156    
H    -2.80387400    -1.66287246     1.05495812    
H    -4.10988417    -0.62298580     0.46477440    
H    -3.31362664    -1.74941680    -0.63394355    
H    -3.51882091     1.34542364    -1.19881152    
H    -1.82392236     1.54192074    -1.69337464    
H    -2.74923004     0.14956118    -2.25148654    
H    -2.07273561     2.02852946     0.80287609    
H    -2.40063636     0.67739848     1.95872059    
H     1.34931982     2.39078730     1.05744572    
H     1.88117136     4.16654297    -0.67092810    
H     2.23433240     0.13671827     1.28032837    
H     0.60807962    -0.84942547     2.79168570    
H     0.33946331    -2.09904064     1.75887346    
H     3.62227782    -2.08241622    -1.10160095    
H     1.29374559    -2.70797025    -1.74709069    
H    -1.03205566    -2.26579229    -1.67909235    
032
G16_01433 
C     4.48646054     0.05004978     0.34910764    
O     3.35156376    -0.79997485     0.34691974    
C     2.28162724    -0.31756786    -0.43378873    
C     1.25930626    -1.46429656    -0.40985390    
C    -0.14434270    -1.04931555    -0.87426739    
N    -0.90203422    -2.27296928    -1.19815909    
C    -1.94100656    -2.36795893    -0.42477369    
N    -2.15463652    -1.25551822     0.41750523    
C    -2.72915663    -1.41582888     1.74692090    
C    -0.99914914    -0.33682322     0.26773017    
C    -1.43990424     1.05825957    -0.12709170    
C    -0.35028123     2.09896875    -0.26928194    
O     0.83168995     1.46783971    -0.71614208    
C     1.63820522     0.89042509     0.22926194    
O     1.70957926     1.29385373     1.35319313    
N    -2.69536745     1.31946738    -0.27797236    
O    -2.92446719     2.64643338    -0.60289406    
H     5.20500469    -0.51530930     0.95759265    
H     4.87559523     0.19971973    -0.66142837    
H     4.25552798     1.00501518     0.83476143    
H     2.62158700    -0.07593705    -1.46693106    
H     1.62449132    -2.28965313    -1.06505042    
H     1.22570518    -1.91662318     0.60299858    
H    -0.09697882    -0.40991049    -1.78943760    
H    -2.66685890    -3.17693050    -0.44900704    
H    -3.63094101    -2.05084844     1.69035803    
H    -2.02988323    -1.85630437     2.47765675    
H    -3.05486132    -0.42510275     2.12107367    
H    -0.41778208    -0.26206976     1.22223589    
H    -0.56663796     2.82439263    -1.08431734    
H    -0.18634665     2.65043350     0.67883870    
H    -3.92121402     2.66507938    -0.73140108    
038
G16_01584 
C     2.87431939     0.64518217     1.49348455    
C     1.65859228     0.63906642     0.64197039    
C     0.54646992     1.32178766     0.94004057    
C    -0.62665295     1.23080617     0.00665974    
C    -1.54916261     2.43650032     0.23629332    
C    -0.04841935     1.33475666    -1.42247577    
O     1.01511110     0.44640393    -1.69177872    
C     1.62972518    -0.22383122    -0.59378703    
C     3.01239631    -0.56243472    -1.15670180    
C     0.80268623    -1.53053127    -0.33589489    
N     1.11525343    -2.04219508     1.01518933    
C    -0.70559260    -1.30177446    -0.57239963    
C    -1.36767149    -0.13647045     0.20202746    
N    -1.41097917    -0.48988925     1.63961092    
C    -2.82968973    -0.02534468    -0.35219009    
O    -3.38593531    -1.31499497    -0.14220711    
H     3.73898147     1.07107467     0.96671563    
H     2.73752394     1.21695564     2.42013511    
H     3.14058379    -0.38782056     1.78509728    
H     0.44126262     1.94197979     1.81816749    
H    -0.96705206     3.36868896     0.26204813    
H    -2.29152441     2.55231224    -0.55967822    
H    -2.07685686     2.36845018     1.19315031    
H    -0.79449308     1.09815331    -2.20059052    
H     0.36498590     2.34608446    -1.60187813    
H     3.62382525     0.33811977    -1.27435146    
H     3.53517890    -1.26315116    -0.49395936    
H     2.92716087    -1.02410233    -2.14836673    
H     1.14587373    -2.30048877    -1.07711192    
H     0.66791146    -1.45094301     1.71353804    
H     0.75250409    -2.97617616     1.13717155    
H    -0.86829285    -1.15383612    -1.65853632    
H    -1.24792694    -2.23883337    -0.32244315    
H    -1.63771988     0.29759343     2.22281494    
H    -2.07835693    -1.23219378     1.80361009    
H    -3.43616098     0.70123305     0.21137692    
H    -2.84270137     0.21559836    -1.42573403    
H    -4.27928353    -1.36613125    -0.53078808    
032
G16_01752 
C     4.21923676    -1.67715259     0.58472274    
C     3.68766561    -0.29602229     0.42322816    
N     4.26195632     0.77953047     0.74247663    
O     2.41218902    -0.43511318    -0.14901418    
C     1.61345693     0.60983651    -0.46167121    
O     1.95426920     1.75937534    -0.33162380    
C     0.28944299     0.15651758    -1.00284205    
C    -0.04484859    -1.33957584    -0.81177923    
C    -1.56432290    -1.43198648    -0.54861612    
C    -1.98052649    -0.06547092    -0.03169514    
C    -1.17419290     0.50197660     1.13043446    
C    -0.82575788     0.93033301    -0.28803616    
N    -1.05687240     2.30714118    -0.63676036    
N    -3.33880890     0.33977001    -0.25937530    
C    -4.38957505    -0.35002273     0.35901003    
N    -4.17260397    -1.46899613     0.96599310    
H     5.20646419    -1.66355446     1.07777075    
H     3.54414663    -2.29927003     1.19365269    
H     4.33513570    -2.17702601    -0.39009837    
H     3.86201118     1.69293793     0.61144707    
H     0.26771765     0.39931345    -2.09704198    
H     0.24849866    -1.93114495    -1.69279153    
H     0.51538115    -1.76604621     0.04078099    
H    -2.12318849    -1.68609916    -1.46652657    
H    -1.81502018    -2.22253615     0.18564615    
H    -1.63524995     1.23255129     1.79155940    
H    -0.51014671    -0.14240594     1.69530189    
H    -0.27916816     2.88335317    -0.32637582    
H    -1.18549316     2.43588395    -1.63037795    
H    -3.44376558     1.35094068    -0.35023450    
H    -5.36689869     0.13974241     0.19039239    
H    -4.94174416    -2.00950442     1.31764871    
040
G16_01787 
C    -0.72768449     2.49470011     0.77694468    
O    -1.43914536     1.27268392     0.83210333    
C    -1.08566803     0.36684982    -0.20795922    
C     0.26550923    -0.11231402    -0.05875294    
C     1.40078821    -0.51023302     0.08284206    
C     2.75069018    -0.97969835     0.24500045    
C     2.83153166    -2.46829438    -0.13334937    
C     3.70022310    -0.15142257    -0.62993488    
C     3.78420297     1.35621358    -0.24715564    
C     5.29189462     1.19360855     0.07409172    
C     5.21015402    -0.31274127    -0.28629222    
C    -2.10637468    -0.79906298    -0.05725034    
C    -2.05791316    -1.36549672     1.36178394    
C    -3.47997267    -0.29970066    -0.44837396    
C    -3.67573213     0.10170539    -1.87756427    
N    -4.40575446    -0.25502168     0.45348361    
O    -5.61418924     0.21475348    -0.04423400    
H    -0.93822728     3.03238669    -0.15187511    
H    -1.12917286     3.04575924     1.63706154    
H     0.34784563     2.33082568     0.89843616    
H    -1.21862109     0.88427150    -1.19334501    
H     3.05655246    -0.86517675     1.32336061    
H     2.17582620    -3.07329841     0.50356674    
H     2.52542331    -2.63417047    -1.17262064    
H     3.85277009    -2.84796119    -0.02290550    
H     3.48078914    -0.31124402    -1.69766978    
H     3.56321998     2.03997192    -1.06880486    
H     3.16530310     1.64301538     0.60616208    
H     5.95695549     1.77676020    -0.56644257    
H     5.55768856     1.39655089     1.11379664    
H     5.42123417    -0.98799273     0.54534244    
H     5.83239333    -0.61265901    -1.13154638    
H    -1.81428577    -1.60786690    -0.77710922    
H    -2.76938357    -2.18910775     1.49006273    
H    -1.05512056    -1.72852855     1.61145000    
H    -2.32100683    -0.59461515     2.10317277    
H    -4.61389842    -0.31612749    -2.27938202    
H    -3.76527635     1.19668317    -1.96223059    
H    -2.86328876    -0.22406494    -2.53587018    
H    -6.19766650     0.19534463     0.77090069    
034
G16_01801 
C    -0.94042596     2.04932993     1.76143739    
C    -0.69042219     0.95266016     0.74268062    
N    -1.92622195     0.65145099    -0.06292834    
C    -1.18544887     0.71436219    -1.35592615    
C     0.05305007     1.35972011    -0.59957066    
C     0.13406375     2.86413543    -0.85100570    
N     1.40149816     0.84173987    -0.84568500    
C     1.83089662    -0.45347122    -0.25767234    
C     3.08407430    -0.96133620    -0.99292524    
C     2.26811811    -0.14116877     1.19443011    
O     2.28786917    -0.99576703     2.03760296    
C     0.77228025    -1.42233931    -0.29826637    
C    -0.26043473    -2.05511482    -0.36452042    
C    -1.54518168    -2.59395533    -0.49146821    
C    -2.64775899    -1.86745887    -0.24956003    
C    -2.78002031    -0.47555894     0.30396229    
H    -1.59749443     2.83250770     1.35868665    
H    -1.43631026     1.65009650     2.65468759    
H    -0.00144274     2.51980654     2.07285882    
H    -0.24341631     0.07112657     1.24252311    
H    -0.97949789    -0.23315906    -1.86094702    
H    -1.70094748     1.38432355    -2.05806886    
H    -0.84052229     3.34278692    -0.69137671    
H     0.85856774     3.33609549    -0.17470752    
H     0.44923160     3.08659194    -1.87621466    
H     1.61323929     0.87359461    -1.84385539    
H     3.86956677    -0.19669785    -1.02679301    
H     3.49138674    -1.84874928    -0.48671322    
H     2.85324513    -1.25710506    -2.02296051    
H     2.57333446     0.89293418     1.38793231    
H    -1.61098295    -3.63400324    -0.83258399    
H    -3.62738818    -2.33449801    -0.40991400    
H    -2.76264223    -0.56142009     1.42349306    
H    -3.81500967    -0.10717526     0.05072173    
042
G16_02029 
C     4.85652365    -1.65014072    -0.55381002    
C     4.12789692    -0.30545960    -0.53995037    
N     2.94448450    -0.40075949     0.33969085    
C     2.11125598     0.72684569     0.43391993    
N     2.37708264     1.74503748    -0.31476843    
C     0.99287661     0.58058341     1.45060877    
C    -0.45710885     0.60157313     0.90777453    
C    -0.79889476     1.96765607     0.24967459    
C    -0.76367588     2.01129388    -1.27618503    
C    -2.18299096     2.44280350     0.72674428    
C    -0.79206690    -0.69092512     0.14790367    
C     0.05786112    -1.04817716    -1.05063405    
C    -0.90786723    -1.91823801     1.15436148    
C    -2.42546227    -2.01975930     0.85487011    
C    -2.29376008    -0.88662216    -0.13780699    
N    -3.05822793    -0.32163518    -0.99008583    
O    -4.34955697    -0.83994691    -0.97436845    
H     5.68163015    -1.63388828    -1.27535868    
H     5.27982302    -1.89990601     0.42420634    
H     4.18163777    -2.46506685    -0.84565463    
H     4.80529145     0.51716211    -0.21896352    
H     3.77521448    -0.03070531    -1.56324657    
H     3.08652848    -0.93757802     1.18223796    
H     1.75328823     2.53023987    -0.35505094    
H     1.12234426    -0.35369362     2.03632556    
H     1.10322185     1.40293163     2.19120576    
H    -1.10373471     0.56288972     1.83655973    
H    -0.05201296     2.71183688     0.63058732    
H    -1.54836067     1.38047609    -1.71737154    
H    -0.93280811     3.02921358    -1.64451660    
H     0.19575007     1.67150606    -1.68293177    
H    -2.23498480     2.52415835     1.81586105    
H    -2.42400729     3.42699115     0.31037539    
H    -2.97469977     1.75736762     0.40121626    
H     1.06728565    -1.36603016    -0.75123443    
H    -0.38166418    -1.86954008    -1.62998366    
H     0.19023769    -0.20776518    -1.74232694    
H    -0.32603085    -2.78960447     0.84868803    
H    -0.66317429    -1.69039681     2.19087489    
H    -2.75340477    -2.96954338     0.41633897    
H    -3.08197817    -1.80368305     1.70527803    
H    -4.79981620    -0.30609540    -1.69418094    
036
G16_02132 
C    -2.69247857    -1.95997708     0.21163519    
C    -2.65045607    -1.44854837    -1.26601464    
N    -2.15432101    -0.06258733    -1.18770507    
C    -1.92803086     0.24573810     0.05413441    
N    -2.31423835    -0.75495619     0.99887874    
C    -1.47177467     1.54643068     0.58333659    
C    -0.16667210     1.72693182     1.36112895    
C     0.78922507     0.61943831     1.74202334    
C     1.13068153    -0.38402289     0.64853636    
C     2.07209505    -1.51603289     1.14821192    
N     3.16267517    -1.68929990     0.15012552    
C     2.78835368    -0.88019594    -1.03794017    
C     1.89314139     0.27310997    -0.52312492    
C     0.94287397     0.80722790    -1.58289747    
C     0.34007828     2.16447472    -1.18904418    
N    -0.37198242     2.36664621     0.05973144    
H    -3.71353892    -2.26557819     0.51306587    
H    -2.00930931    -2.80908867     0.38140928    
H    -1.97806535    -2.04584891    -1.90955966    
H    -3.65442354    -1.44776804    -1.73401394    
H    -1.74094071    -0.90036434     1.81159977    
H    -2.35159688     2.16050359     0.88246063    
H    -0.19701527     2.48710133     2.17553663    
H     1.73032472     1.08780226     2.11155991    
H     0.36645323     0.08414295     2.61980544    
H     0.20344610    -0.85642117     0.25636318    
H     2.47560271    -1.31257122     2.15540030    
H     1.52623401    -2.48114338     1.20472554    
H     4.05196807    -1.37605481     0.53252533    
H     3.67991276    -0.51953355    -1.57732212    
H     2.22715890    -1.54177726    -1.73211365    
H     2.53554538     1.10058236    -0.14584254    
H     1.47639286     0.92901012    -2.54741482    
H     0.13640599     0.07830398    -1.80044211    
H     1.15611983     2.93207437    -1.17418286    
H    -0.38040771     2.47190245    -1.99330193    
031
G16_02376 
C    -0.50971787     2.36217005     1.41262853    
N    -0.68647033     0.94844051     1.00422875    
C    -2.07606489     0.77090280     0.50920255    
C    -2.39524780    -0.55036657    -0.17607145    
O    -3.23960908    -0.55446695    -1.03758637    
C    -1.74042704    -1.83800045     0.25159157    
C    -0.35068208    -1.98105921    -0.36844889    
C     0.62746978    -1.01874840     0.29386804    
C     0.84689578    -1.33892031     1.76913366    
O     1.90121094    -1.20533690    -0.36312890    
C     2.62695455    -0.03758154    -0.32065645    
O     3.77014885    -0.02363670    -0.66507686    
C     1.75112578     1.09645493     0.16657970    
C     0.32275306     0.50942146     0.03381899    
C    -0.04104266     0.80087973    -1.43663565    
O    -0.55910163     1.84390531    -1.73566624    
H    -0.47154824     3.07076738     0.56829762    
H    -1.33836619     2.65970307     2.07685077    
H     0.41472767     2.45508117     2.00478102    
H    -2.74141221     0.84087604     1.40701360    
H    -2.39243352     1.60135749    -0.17340870    
H    -1.69027590    -1.89475995     1.35815917    
H    -2.37910827    -2.69333973    -0.06485142    
H     0.01813548    -3.02305003    -0.24347741    
H    -0.38746685    -1.83905218    -1.46659682    
H     0.96605862    -2.41649222     1.93146784    
H     1.74950889    -0.85708749     2.16270676    
H     0.00750744    -0.98407472     2.38573967    
H     2.00166418     1.35258575     1.21467827    
H     1.90900896     2.02414067    -0.41262804    
H     0.23439522     0.05120624    -2.18646122    
032
G16_02605 
O    -2.01991150    -1.02631868     1.17016005    
C    -2.32625355    -0.76405246    -0.18357320    
C    -3.72793253    -0.44296630    -0.32814314    
C    -4.90514620    -0.18659513    -0.43807151    
C    -1.43763130     0.36298617    -0.75543398    
C    -1.70301972     1.75291241    -0.08515753    
C    -0.37881692     2.19702628     0.61022854    
C     0.56217752     1.09778655     0.28028269    
C     0.00030477     0.11265224    -0.45349011    
C     0.93169961    -0.98646867    -0.78613027    
C     0.89117035    -2.20826890     0.17339255    
C     2.22489629    -1.77030033     0.83755293    
C     2.28069527    -0.52145693    -0.07404892    
O     3.36298461    -0.53497327    -0.93267533    
C     2.00543276     0.87134794     0.59085378    
O     2.85127150     1.84357556     0.02117609    
H    -1.98341941    -0.19579804     1.69008220    
H    -2.07472208    -1.74850424    -0.66606566    
H    -5.90645872     0.02887123    -0.53459557    
H    -1.61146778     0.43008110    -1.85408909    
H    -2.00643154     2.48845325    -0.84498264    
H    -2.53001729     1.69908087     0.63726702    
H    -0.03011153     3.17429100     0.23181961    
H    -0.51033597     2.32169907     1.69898561    
H     1.01534908    -1.23246632    -1.84866608    
H     0.02930477    -2.21464304     0.85262923    
H     0.93568217    -3.17401984    -0.33440428    
H     2.16138528    -1.56744927     1.90735450    
H     3.05898936    -2.46005096     0.66671697    
H     3.95038290     0.24227402    -0.76922251    
H     2.26690282     0.90485200     1.66687258    
H     2.53376093     2.09783984    -0.87295992    
038
G16_02800 
C     3.05786376    -0.67685874     1.22620100    
C     2.76049887    -0.53468271    -0.27013145    
N     2.41575583    -1.88583082    -0.79930053    
C     0.94338341    -2.02352804    -0.67761149    
C     0.33408286    -0.60254969    -0.73841918    
C     1.54035446     0.36991718    -0.61115341    
C     1.14605029     1.43666422     0.42293781    
O     1.48423048     2.72393298    -0.00530424    
C    -0.39568212     1.26061733     0.65303984    
C    -1.13107676     2.10400827    -0.24152121    
C    -1.72623345     2.85286350    -0.98456005    
C    -0.60235066    -0.26316635     0.43515642    
C    -2.07514948    -0.75565127     0.27219115    
C    -2.96071208    -0.06401181     1.32566842    
C    -2.65666027    -0.52541515    -1.13019402    
N    -2.15336273    -2.21705123     0.52686017    
H     2.15987142    -0.92708513     1.79964211    
H     3.77031778    -1.49937182     1.38772364    
H     3.50331842     0.23375426     1.63816692    
H     3.67607708    -0.15474877    -0.78381368    
H     2.71243202    -1.98679961    -1.76692455    
H     0.54186362    -2.68647782    -1.46414182    
H     0.73912698    -2.51421011     0.29763417    
H    -0.18314246    -0.44280515    -1.70503435    
H     1.73684782     0.87118828    -1.58339358    
H     1.70189197     1.36648392     1.38194074    
H     1.00121549     2.98792443    -0.81635254    
H    -0.65101287     1.53203293     1.71002188    
H    -2.24056470     3.48429644    -1.61126402    
H    -0.20483358    -0.76149074     1.35749349    
H    -3.10838885     0.99447681     1.08702701    
H    -3.95288461    -0.53571898     1.35530226    
H    -2.53801715    -0.13335339     2.33120212    
H    -2.12389876    -1.09086939    -1.90065285    
H    -3.70280360    -0.86222946    -1.16218360    
H    -2.63970973     0.53165514    -1.40999031    
H    -1.61990358    -2.75255964    -0.13450365    
H    -1.88268806    -2.46699218     1.46133715    
037
G16_02804 
C    -1.93574656    -0.59324291     1.86437696    
C    -1.82353933    -0.72098387     0.34387651    
C    -2.95583764     0.08408741    -0.32412503    
O    -4.12912362    -0.67295433    -0.06340175    
C    -0.48143319    -0.26719535    -0.20369362    
C    -0.20956276    -0.78329704    -1.58735591    
C     0.97846563    -1.38830875    -1.69172165    
C     1.75747947    -1.40335601    -0.38429825    
C     2.06811022    -2.81779837     0.08798715    
O     3.00142399    -0.77825457    -0.56520229    
C     0.83200786    -0.62920485     0.60864841    
N     1.19961170     0.82653726     0.68823700    
C     1.39711961     1.33509633     2.04805774    
C    -0.09618063     1.23770886     0.02826476    
C     0.18142128     2.06312277    -1.22802421    
O     0.66540356     3.33485238    -0.85048077    
H    -1.69611916     0.41373811     2.21793392    
H    -2.96537378    -0.81714077     2.18507262    
H    -1.28013609    -1.30087552     2.38201696    
H    -1.97400867    -1.80243747     0.07612056    
H    -3.06510777     1.09105507     0.11226278    
H    -2.82245618     0.16075101    -1.41721320    
H    -4.91575827    -0.20457379    -0.39937220    
H    -0.94172057    -0.65348953    -2.36496354    
H     1.42462302    -1.82969446    -2.56459497    
H     2.73671734    -3.32100911    -0.62464159    
H     2.59323439    -2.80264542     1.05120070    
H     1.16081830    -3.42051867     0.19050136    
H     2.90349935     0.20013089    -0.46272554    
H     0.69966714    -1.14450851     1.56432597    
H     2.33411901     0.90984205     2.45105189    
H     1.51673872     2.43187289     2.00779141    
H     0.58312840     1.10423190     2.75270042    
H    -0.79495750     1.77476353     0.69693641    
H     0.91294917     1.57580418    -1.89867512    
H    -0.74572292     2.28910273    -1.78468100    
H     1.52955752     3.23096094    -0.39671415    
031
G16_02944 
O    -3.66365644     2.34043565     0.48399458    
C    -2.30043547     2.20258891     0.08886807    
C    -2.05479841     0.75127343    -0.03079326    
C    -3.02001293    -0.26446717     0.01786120    
N    -2.36783659    -1.43679690    -0.27009143    
C    -2.22045441    -2.89245758    -0.01326758    
C    -0.64742923    -2.67558997    -0.21972747    
C    -0.96058191    -1.21113071    -0.33399920    
C    -0.76062702     0.14526968    -0.22327813    
O     0.33924128     0.92525570    -0.29607836    
C     1.57099695     0.20415682    -0.35486952    
C     2.57057848     1.26651347    -0.86669601    
N     3.93352190     0.72273129    -0.76209281    
C     4.23271114    -0.02343990     0.39284946    
N     3.37551940    -0.52800000     1.21145361    
C     1.95725404    -0.26040643     1.06384724    
H    -3.87100638     3.27951183     0.63954539    
H    -2.16222144     2.72490475    -0.87992174    
H    -1.65187325     2.66642800     0.85935527    
H    -4.07867048    -0.18274352     0.17559678    
H    -2.51213727    -3.20790940     0.99581427    
H    -2.71540286    -3.50741016    -0.77578902    
H    -0.03551269    -2.95918950     0.64138873    
H    -0.24446420    -3.14651094    -1.12090758    
H     1.48876384    -0.64710211    -1.06267535    
H     2.35885812     1.50449876    -1.93313804    
H     2.44700138     2.20880788    -0.28695426    
H     4.65497807     1.31378454    -1.14599957    
H     5.30181637    -0.25552055     0.53095060    
H     1.64440941     0.50089034     1.81751804    
H     1.40956944    -1.19357604     1.33179929    
024
G16_03388 
C    -0.98029187     3.29646392     0.24352545    
N    -0.17754342     2.07305616     0.24655908    
C    -0.72742181     0.85882578     0.10100434    
C     0.00827962    -0.34997541     0.07611018    
C    -0.65119941    -1.59056690    -0.08183679    
O    -0.30218652    -2.72854296    -0.14274291    
O    -2.11763906    -1.51545897    -0.22343501    
C    -2.68955312    -0.33252184    -0.15837346    
F    -3.99167643    -0.42711063    -0.26686985    
N    -2.12937417     0.83956798    -0.01908431    
C     1.44418473    -0.39684533     0.37804949    
O     1.58070327    -0.07025930     1.72603262    
C     2.32198867    -1.61384656    -0.09084100    
O     3.19551157    -0.70572014    -0.84014647    
C     2.44817318     0.41737423    -0.49996559    
N     2.61894105     1.62987979    -0.78786194    
H    -0.37635970     4.13602163     0.62697807    
H    -1.33095243     3.53964599    -0.77767618    
H    -1.88024108     3.18879096     0.88214840    
H     0.84092643     2.17958115     0.21575676    
H     2.51018299    -0.14112996     2.03746479    
H     2.89382290    -2.12190381     0.68712403    
H     1.86092808    -2.32149563    -0.78785797    
H     3.36534069     1.96716895    -1.36884204    
031
G16_03965 
C     2.95820121    -1.64928715    -0.71187709    
C     2.80962757    -0.14016244    -0.52796061    
C     1.52993359     0.20619721     0.25729743    
N     0.36116132    -0.05641193    -0.61849134    
C    -0.89673964     0.08683755     0.06408132    
C    -1.32235326     1.46503935     0.65578430    
O    -0.77686885     2.23047095     1.37609579    
C    -2.62597603     1.47054218    -0.11747224    
C    -2.22839542     0.13124154    -0.81229694    
C    -2.08988405     0.20755567    -2.30723770    
C    -3.01599964    -1.09175528    -0.33909241    
O    -2.35363341    -1.64388907     0.80194703    
C    -1.13794014    -1.05721171     1.03994330    
O    -0.46236752    -1.45380716     1.94168039    
C     4.00693789     0.37012587     0.25297918    
O     4.78443774     1.14924549    -0.23581034    
H     3.04461890    -2.17781459     0.24504312    
H     2.07189618    -2.06262154    -1.21706332    
H     3.83283438    -1.90054169    -1.32165280    
H     2.78349081     0.35355033    -1.53082164    
H     1.45041271    -0.43881510     1.16553479    
H     1.55811397     1.26080555     0.61283039    
H     0.39944541     0.50691763    -1.46862217    
H    -3.52584323     1.42756027     0.50832546    
H    -2.75161355     2.32557786    -0.79187970    
H    -1.55646104     1.10920209    -2.63574063    
H    -1.53538917    -0.65639107    -2.70733048    
H    -3.07094273     0.22254432    -2.80285693    
H    -4.03854411    -0.86243434     0.00410217    
H    -3.04516050    -1.90558916    -1.08573517    
H     4.14070101    -0.00419882     1.27458499    
040
G16_03998 
C    -4.25494829     0.80547507    -0.35816377    
C    -2.80961442     1.19234077    -0.05338494    
C    -1.93248981     0.00643382     0.39815714    
C    -2.48551797    -0.65436435     1.66822057    
N    -1.81984256    -1.01925954    -0.65657340    
C    -0.49747917    -1.19688078    -1.10932655    
N    -0.12269114    -1.91571358    -2.10268870    
C     0.47014467    -0.48217672    -0.16152265    
C     1.10951760    -1.54531034     0.75088547    
C     2.19399613    -0.94730050     1.65223859    
C     3.26292450    -0.24324850     0.80829640    
C     2.62156940     0.86052051    -0.05043931    
C     3.69108594     1.55922845    -0.89739005    
C     1.54424282     0.25747228    -0.96628240    
C    -0.44735018     0.47269789     0.65667949    
O    -0.24888253     1.76933625     0.14154463    
H    -4.83771600     1.68571546    -0.65816633    
H    -4.32843025     0.08105519    -1.17557059    
H    -4.75326142     0.37006953     0.51590679    
H    -2.35132755     1.65863638    -0.95264802    
H    -2.79664937     1.97343020     0.73016069    
H    -3.45333476    -1.13396338     1.47596556    
H    -1.81663227    -1.44676352     2.02703712    
H    -2.62569205     0.07249131     2.47263917    
H    -2.59544155    -1.12266340    -1.28581928    
H    -0.78467746    -2.38006509    -2.69564634    
H     0.33549594    -2.05134895     1.35536555    
H     1.55499855    -2.33646381     0.10874605    
H     1.75244103    -0.23585954     2.37347755    
H     2.65682910    -1.74674356     2.26016998    
H     4.04313996     0.18645938     1.45983601    
H     3.77455256    -0.97670128     0.15751135    
H     2.14128972     1.61289313     0.61995688    
H     4.18100061     0.85949050    -1.58319085    
H     3.25191055     2.36018740    -1.50274213    
H     4.46629024     2.00792273    -0.26905818    
H     2.00600153    -0.45089583    -1.68689073    
H     1.08128690     1.05308768    -1.58241967    
H    -0.19636381     0.47301303     1.73352499    
H    -0.59612070     2.44343198     0.75748567    
034
G16_04215 
C    -4.39711806     0.51810082    -0.41662057    
C    -3.35110091    -0.34677852     0.28307919    
C    -2.06675522    -0.44668084    -0.55668102    
C    -1.38200133     0.86377465    -0.75901990    
C    -1.05281548     1.69376043     0.23860365    
C     0.08086082     2.60712765     0.09755879    
C     1.31926226     2.09743067     0.15485582    
C     1.58778455     0.64833444     0.35676340    
C     1.17038486    -0.32878715    -0.82020830    
N     2.62993663    -0.65632881    -1.02216877    
C     3.02991238     0.18918660     0.07862382    
N     4.12902094     0.52612952     0.60245190    
C     0.31441380    -1.57197118    -0.53712001    
O     1.07858803    -2.46049405     0.24987020    
C    -1.06749574    -1.40115549     0.15004896    
O    -0.85099159    -1.05136514     1.49384351    
H    -4.70403684     0.08690109    -1.37559344    
H    -5.29766214     0.62710369     0.19807079    
H    -4.01280497     1.52601625    -0.61721661    
H    -3.12232577     0.06293197     1.28641423    
H    -3.75867569    -1.35974970     0.46909195    
H    -2.33259688    -0.89498692    -1.54701089    
H    -1.03395075     1.04687954    -1.77770989    
H    -1.50482726     1.65150779     1.23030595    
H    -0.12676787     3.66501505    -0.03223373    
H     2.21023341     2.72506022     0.08248073    
H     1.24535057     0.31115453     1.35540310    
H     0.80107834     0.21487146    -1.71509032    
H     2.88514053    -1.63175002    -1.03304918    
H     5.00803371     0.13199274     0.31948590    
H     0.18709028    -2.13907512    -1.49447516    
H     0.94399579    -2.26879978     1.20849557    
H    -1.53064166    -2.41636728     0.26109856    
H    -0.59870406    -0.10606163     1.59133679    
042
G16_04322 
C     2.66184608     3.01877401     0.23479463    
C     2.81532948     1.71408743    -0.54997448    
C     1.66185411     0.78744722    -0.24725893    
C     0.60429802     0.79910845    -1.07054092    
C    -0.63565064     0.01443973    -1.12853174    
C    -1.04156612    -1.25015484    -0.37978296    
C    -0.22293520    -2.01219586     0.62640759    
C     1.20224405    -2.38722798     0.13237349    
N     1.35373892    -2.44558096    -1.33626749    
C     2.29524238    -1.45816278     0.71025839    
C     1.85286503    -0.01996498     0.99394786    
C    -1.75915623     0.06196381    -0.09027282    
C    -1.56967560     0.81277333     1.20462673    
C    -2.34105854     0.17475042     2.36065711    
C    -3.17524124     0.20246797    -0.65527380    
N    -3.45597751     1.53423366    -1.22425878    
H     1.72775043     3.53063213    -0.02645031    
H     2.64531405     2.83946457     1.31552965    
H     3.48740841     3.70723794     0.02492133    
H     2.87950691     1.93188337    -1.63481252    
H     3.77751349     1.22359815    -0.30015431    
H     0.63640160     1.51675548    -1.90715568    
H    -0.99371755     0.00817922    -2.18196747    
H    -1.60915764    -1.96552337    -1.00398760    
H    -0.15554351    -1.46585951     1.58692912    
H    -0.76451191    -2.94550141     0.88755826    
H     1.41914206    -3.43073500     0.49676850    
H     0.61269197    -2.97720551    -1.76432494    
H     1.35354611    -1.52066288    -1.74417086    
H     2.67626205    -1.90568333     1.64854460    
H     3.16063051    -1.45143709     0.01335465    
H     2.61141112     0.46118583     1.65014809    
H     0.92421617    -0.01230186     1.60659053    
H    -0.49136526     0.87852196     1.46199309    
H    -1.88391097     1.86850055     1.07593396    
H    -3.42347566     0.30013749     2.24142564    
H    -2.14502575    -0.90156305     2.42850937    
H    -2.06215547     0.62624705     3.31911372    
H    -3.36278955    -0.54861220    -1.45562745    
H    -3.92659526    -0.00887464     0.13793707    
H    -3.44888302     2.24960022    -0.51491019    
H    -2.77755513     1.78248012    -1.92787121    
035
G16_04374 
C     4.07754950    -0.40068258    -1.06076530    
C     2.77968052    -0.90112809    -0.42561795    
C     2.13990925     0.17865934     0.44794540    
C     1.53169128     1.33406618    -0.37324904    
C     0.32649048     1.83915488     0.46477510    
N     0.08807772     0.86001787     1.54950950    
C     0.94071586    -0.32276647     1.30270642    
C     0.09688854    -1.39367548     0.56594517    
O    -1.04793241    -1.72715127     1.31920389    
C    -2.12134785    -0.91068164     0.85105716    
C    -1.71229169    -0.53171382    -0.59256879    
C    -2.44498867    -1.36808064    -1.64341657    
O    -0.33779373    -0.91543861    -0.69203780    
C    -1.82176659     0.94601324    -0.91495518    
O    -2.18735031     1.84164796     0.13866214    
C    -0.89060863     2.01056656    -0.43135646    
H     4.81730406    -0.12160952    -0.30284257    
H     4.52905800    -1.17266234    -1.69424801    
H     3.90083067     0.47813057    -1.69114060    
H     2.07444822    -1.21957975    -1.22126950    
H     2.98614302    -1.80426300     0.18034235    
H     2.91458698     0.58519966     1.13938128    
H     2.26099160     2.13090054    -0.56608398    
H     1.19290378     0.96276271    -1.35878874    
H     0.55531225     2.84163385     0.91187141    
H     0.24858381     1.26252780     2.46684423    
H     1.28125123    -0.76635833     2.26708484    
H     0.63660163    -2.34332647     0.38583108    
H    -3.01300154    -1.54686168     0.92121515    
H    -2.20306691    -0.03219398     1.51883413    
H    -3.51160048    -1.12842023    -1.68206951    
H    -2.01566271    -1.21199196    -2.64082471    
H    -2.34212468    -2.43911378    -1.42196078    
H    -2.36499164     1.14810197    -1.84986566    
H    -0.80719228     2.91510654    -1.05468278    
036
G16_04391 
C     2.42557364    -1.71217750    -1.71996210    
C     1.56510446    -0.94824861    -0.68963379    
C     0.74386292     0.12579778    -1.43143802    
C     0.16701700     1.31721668    -0.64462471    
C    -1.32069035     1.52496427    -0.88654462    
O    -1.92990301     0.88451953    -2.00698292    
C    -2.40300669     0.50876034    -0.70853120    
C    -2.16620236    -0.93781766    -0.32192211    
N    -2.04576082    -1.17735301     1.11946727    
C    -0.78890016    -0.79163323     1.78558114    
C     0.42265168    -1.68892353     1.39726027    
N     0.63156984    -1.88850769    -0.03968685    
C    -0.52894375     0.73774375     1.84345230    
C     0.39964221     1.47561472     0.87424970    
C     1.85708761     1.33159294     1.24592155    
O     2.72050385     1.92857928     0.64981873    
H     1.80456208    -2.17486733    -2.49587520    
H     3.12817454    -1.03451847    -2.21890201    
H     3.01766410    -2.49963613    -1.24416193    
H     2.26258507    -0.48375633     0.04611721    
H     1.37934466     0.54294901    -2.24167587    
H    -0.08175449    -0.39371030    -1.97096295    
H     0.68805925     2.21758602    -1.09884994    
H    -1.61263827     2.58264329    -0.79716485    
H    -3.41497778     0.87070789    -0.49164072    
H    -3.01838537    -1.56243065    -0.68343659    
H    -1.26720316    -1.34662897    -0.84831549    
H    -2.83727774    -0.75562180     1.60855945    
H    -0.98355318    -1.07968284     2.87204015    
H     1.32396289    -1.28363149     1.90724348    
H     0.22192431    -2.69178062     1.85006907    
H     0.84288916    -2.85840154    -0.25134187    
H    -1.52519237     1.23038146     1.77775699    
H    -0.17330815     0.96515648     2.87248780    
H     0.18231639     2.57791937     1.06878282    
H     2.10946084     0.70636471     2.11183131    
029
G16_04410 
O     2.26415124    -2.36492569    -1.09933576    
C     2.81996655    -1.31150258    -0.92321364    
C     2.48677130    -0.43380292     0.25976227    
N     2.85129623     0.99100497    -0.04860089    
C     1.44435550     1.46714811     0.16843351    
C     0.90990140     2.11357572    -1.08467087    
O    -0.24460158     2.45161961    -1.15740934    
C     0.97731428    -0.02310333     0.43957031    
C    -0.05253282    -0.65586311    -0.46564523    
C    -1.45825450    -0.25107823    -0.00180266    
C    -2.55328365    -1.10385186    -0.66773016    
C    -3.80626029    -0.40892369    -0.68212984    
C    -4.86326653     0.18048734    -0.69283487    
O    -1.57554306    -0.57117571     1.38309558    
C    -0.63953143     0.09525618     2.17431872    
O     0.69351030    -0.20610279     1.79205698    
H     3.59811166    -0.94358591    -1.60499718    
H     2.91813819    -0.85783197     1.19115256    
H     3.52959978     1.39451590     0.58303417    
H     1.29218948     2.12328644     1.04710752    
H     1.61373842     2.26490988    -1.91293634    
H     0.10836409    -0.39272570    -1.52606145    
H     0.05573454    -1.76650681    -0.40978771    
H    -1.64063015     0.84054832    -0.13855736    
H    -2.24425033    -1.38629541    -1.70112953    
H    -2.64619425    -2.07212603    -0.11002701    
H    -5.75944065     0.68152614    -0.70099581    
H    -0.78839327     1.18776783     2.14164921    
H    -0.73437528    -0.36091589     3.17733531    
039
G17_00414 
C    -3.80105430    -1.55129631     0.67824281    
C    -3.10281697    -0.37885181     0.05916736    
N    -3.22090538     0.78610026     0.58706306    
C    -2.54545157     1.97328636     0.08758540    
C    -1.05191920     2.02657732     0.47518597    
C    -0.16260027     1.10790469    -0.37139816    
C     1.31496305     1.53508786    -0.28648848    
C     2.10704765     0.23305530    -0.43093523    
O     2.26222089    -0.08998632    -1.79885118    
C     3.54678163     0.33210609     0.05836396    
O     3.82797394     0.94657189     1.05500216    
C     1.25621248    -0.85158214     0.30028283    
C     1.55653220    -2.24062946    -0.25573153    
C     1.57672305    -0.84547122     1.80112450    
C    -0.21318090    -0.37307624     0.10084137    
C    -1.02808657    -1.24851397    -0.87516650    
N    -2.37759811    -0.71053902    -1.14857427    
H    -3.08069606    -2.26160790     1.10633534    
H    -4.48206419    -1.23488438     1.48430972    
H    -4.39365648    -2.09346967    -0.07535425    
H    -2.67006807     2.11485519    -1.00682267    
H    -3.07223234     2.83659097     0.56973352    
H    -0.70382591     3.07429996     0.37412102    
H    -0.94495252     1.78279253     1.55136206    
H    -0.48456290     1.17652547    -1.43560412    
H     1.58225147     2.26543621    -1.06734227    
H     1.54957766     2.02043003     0.68109038    
H     1.38726171    -0.15480745    -2.23157438    
H     4.30540597    -0.17812227    -0.54672266    
H     2.59960335    -2.52376330    -0.06148087    
H     0.92272308    -3.00539879     0.20706909    
H     1.42389667    -2.30154321    -1.34229822    
H     1.48282483     0.16032899     2.23188125    
H     0.90429364    -1.50913339     2.35563559    
H     2.60034755    -1.18118952     2.00573550    
H    -0.73169817    -0.41602862     1.09035229    
H    -0.50690059    -1.37045294    -1.84789212    
H    -1.15138655    -2.27226999    -0.45336466    
H    -2.33682339     0.07424086    -1.80209087    
040
G17_01041 
C    -5.05868092    -0.70044125     0.39448963    
C    -4.04068840    -0.54507098    -0.73477556    
C    -2.62581227    -0.29254034    -0.25374444    
C    -1.55105530    -0.29028433    -1.38414058    
C    -0.23493343    -0.62317012    -0.61589026    
C     0.87608980     0.38185787    -0.90808382    
C     2.11759033     0.15038914    -0.04501820    
C     2.79709483    -1.18840459    -0.36753258    
O     3.99760623    -1.31174836     0.37411367    
C     4.89703544    -0.25333674     0.15666822    
O     4.32729342     0.99698457     0.45914597    
C     3.14910122     1.26549112    -0.27911652    
C    -0.72856532    -0.67222600     0.86958712    
C    -1.10844151     0.75861727     1.35704490    
C    -2.42275098     1.03586631     0.58172671    
O    -2.28486220     2.08757955    -0.34259185    
N    -2.05733960    -1.34005442     0.66021798    
H    -4.82833103    -1.56530500     1.02735080    
H    -5.10246940     0.18718890     1.03369888    
H    -6.06625888    -0.85747537    -0.01049973    
H    -4.05243756    -1.46009326    -1.36462543    
H    -4.34110626     0.29015325    -1.40214964    
H    -1.77271985    -1.05510012    -2.14015151    
H    -1.51065491     0.67915961    -1.90080503    
H     0.10324181    -1.64584072    -0.89657665    
H     1.13909270     0.32677645    -1.98337176    
H     0.49833020     1.41494262    -0.75857192    
H     1.83866045     0.15251655     1.03704074    
H     2.20865467    -2.05505410    -0.01325768    
H     3.01380753    -1.30362512    -1.44272521    
H     5.67740661    -0.39261854     0.92600550    
H     5.26676853    -0.26737016    -0.88170333    
H     3.40335770     1.38785971    -1.34557484    
H     2.82097797     2.23539023     0.13604390    
H    -0.06953247    -1.22857082     1.54735316    
H    -1.25356385     0.78347134     2.44400143    
H    -0.33301581     1.49992177     1.12291607    
H    -3.27880781     1.25659740     1.24129420    
H    -2.15708197     2.93758396     0.11966544    
H    -2.58754905    -1.47271971     1.51017480    
032
G17_01262 
C     5.45115924    -1.36868613    -1.01921208    
C     4.25271778    -0.68424465    -0.50107652    
C     3.88561985     0.64010947    -0.75572951    
N     2.70551504     0.86580502    -0.05402849    
C     1.71363804     1.91327414     0.11254127    
C     0.64450759     1.16460839     0.98382238    
C    -0.66821984     0.95517463     0.24013133    
C    -1.66476063     0.20294065     1.13184547    
C    -2.90522501    -0.10855165     0.35180864    
N    -3.99701028     0.64646934     0.60385754    
C    -5.12402881     0.38524998    -0.09611523    
N    -5.23432074    -0.58061832    -1.03563076    
C    -4.14580309    -1.33662807    -1.28565663    
C    -2.94082767    -1.13547770    -0.60617942    
O     1.17592258    -0.16128145     1.28549934    
C     2.33501755    -0.30728581     0.59713152    
C     3.27105231    -1.29436219     0.35555618    
H     5.17630645    -2.22899427    -1.64973105    
H     6.08390298    -0.70686673    -1.62591665    
H     6.07467947    -1.75628691    -0.19806459    
H     4.36239358     1.39063915    -1.34403744    
H     2.13763106     2.79370374     0.63770364    
H     1.30984975     2.25963717    -0.86038999    
H     0.51376754     1.62770878     1.98150093    
H    -1.09728202     1.92891658    -0.07068363    
H    -0.48536453     0.38241542    -0.69342741    
H    -1.20526412    -0.73539579     1.51696696    
H    -1.91043403     0.80874327     2.03304500    
H    -6.01186115     1.00186663     0.11441209    
H    -4.26537585    -2.11476865    -2.05040866    
H    -2.06725899    -1.74760658    -0.80537253    
H     3.28559367    -2.29535703     0.71542456    
029
G17_01411 
C     2.38708901    -2.48860749     0.88101440    
N     1.63665975    -2.02126185    -0.30769574    
C     1.16105289    -0.68664466    -0.19074000    
C     1.98460815     0.40752975    -0.18257418    
C     3.44930240     0.27172262    -0.36351220    
O     4.22884829     1.09610502     0.05121456    
C     1.46005579     1.72633901    -0.02469261    
C     0.10868112     1.95417832     0.06558192    
N    -0.46913200     3.17995705     0.34620678    
N    -0.77326872     0.86527347    -0.07941349    
C    -2.19301836     0.83290217    -0.01217311    
O    -2.93539189     1.78593465     0.04862060    
N    -2.54071096    -0.52365886    -0.16142302    
C    -3.86174512    -1.04547930     0.14333876    
C    -1.36233664    -1.30037050    -0.19252041    
O    -1.38479967    -2.64412624    -0.20592775    
C    -0.26486334    -0.46654271    -0.16125497    
H     1.74730951    -2.66085903     1.76124806    
H     2.88830061    -3.43562891     0.61665745    
H     3.16589362    -1.76352609     1.16575651    
H     0.87725501    -2.67204969    -0.52745696    
H     3.80448715    -0.60961916    -0.91789856    
H     2.17179725     2.54661383     0.05335074    
H     0.07229550     4.00680611     0.18957233    
H    -1.47035637     3.27381930     0.27292260    
H    -4.56382476    -0.20937402     0.34562675    
H    -4.25293998    -1.61326842    -0.72096065    
H    -3.84306501    -1.70593191     1.03015067    
H    -1.92505871    -2.97267636    -0.97750560    
031
G17_01575 
N     3.58395688    -2.26642480     0.25827726    
C     2.66042785    -1.32228749    -0.18022343    
O     2.51591627    -1.08495030    -1.36485609    
N     1.93773108    -0.66840259     0.82638557    
C     0.83715700     0.21562571     0.41786937    
C    -0.00801049     0.64498440     1.64291556    
C    -1.25475674     1.20536837     0.93463286    
C    -0.90677152     2.56117544     0.31689329    
C     0.37406645     2.54581495    -0.49141564    
O     0.57900334     3.42089078    -1.29695107    
C     1.40823937     1.47540876    -0.25763982    
C    -1.55314209     0.16118230    -0.17444159    
C    -0.19355213    -0.47891445    -0.52157767    
C    -2.50935494    -0.90678492     0.32050543    
O    -2.90649868    -0.94342126     1.46080242    
C    -2.90870313    -1.87320914    -0.65609545    
C    -3.25236249    -2.69558690    -1.47515368    
H     4.19627678    -2.67552800    -0.42150605    
H     3.83196104    -2.38025583     1.21352847    
H     1.85062333    -1.09372112     1.73761117    
H    -0.27261268    -0.20605258     2.29213785    
H     0.49936819     1.38350092     2.27743527    
H    -2.11344482     1.30674620     1.63302446    
H    -1.73767418     2.93109972    -0.31964280    
H    -0.80304449     3.32975600     1.11238518    
H     2.23879613     1.89785595     0.34609661    
H     1.89300689     1.20337032    -1.22691358    
H    -1.99800600     0.65476604    -1.06839087    
H     0.07852522    -0.33752190    -1.58313993    
H    -0.19091702    -1.57100032    -0.37296592    
H    -3.54298105    -3.39497843    -2.17671535    
038
G17_02558 
C    -3.12422911    -1.12294350    -1.19421946    
C    -2.08042917    -0.90473155    -0.10325499    
O    -2.57773233    -1.34369250     1.15141106    
C    -0.80212774    -1.72115113    -0.42354169    
N     0.08729170    -1.97997929     0.71649228    
C     0.75060276    -0.81120309     1.34953880    
C     1.45108657     0.17753107     0.40871089    
C     2.66852233     0.82672091     1.12530269    
O     3.51571803     1.29825330     0.08805268    
C     3.44400031     0.38310484    -1.00284632    
C     2.14449448    -0.43753598    -0.84336046    
O     2.58136915    -1.75886621    -0.65578732    
C     0.52789900     1.33602890    -0.01638852    
O    -0.64311814     0.91460218    -0.68004555    
C    -1.74007479     0.58330600     0.16120601    
C    -2.85298248     1.56927099    -0.23109195    
O    -2.48527994     2.86731567     0.18639049    
H    -2.81082797    -0.65743550    -2.13844632    
H    -3.29012065    -2.18709898    -1.39886057    
H    -4.09622713    -0.69621084    -0.91646571    
H    -3.11466859    -2.15202303     1.06438335    
H    -1.08482566    -2.72049639    -0.82927296    
H    -0.23874620    -1.21305425    -1.23919582    
H    -0.43836075    -2.48093159     1.44212474    
H     0.05187709    -0.24919190     2.01108058    
H     1.51842412    -1.26873890     2.02748255    
H     2.43644817     1.71917483     1.72287001    
H     3.23040461     0.09746461     1.73351288    
H     3.46614522     1.01324625    -1.90223402    
H     4.33717819    -0.26620955    -0.96238615    
H     1.49520055    -0.41649207    -1.74096137    
H     1.86550569    -2.31276399    -0.25888337    
H     0.27534569     1.98337640     0.84318316    
H     1.01832294     1.95981659    -0.79490114    
H    -1.49656125     0.71710884     1.24208286    
H    -3.04087631     1.58219033    -1.31840902    
H    -3.78897456     1.37227095     0.32345541    
H    -1.64991866     3.12907611    -0.25687348    
038
G17_02624 
C    -4.29135612     0.34594538    -0.33736449    
C    -3.02256410    -0.44808678    -0.62571972    
O    -1.97532682     0.40757360    -0.16918169    
C    -0.73080727    -0.20687541     0.04805806    
C    -0.66519534    -0.87068949     1.41914520    
C     0.72882327    -1.48574928     1.54392761    
C     0.90381499    -2.53496269     0.43500022    
C     0.52719643    -2.01383557    -0.95253025    
O    -0.58759031    -1.14430032    -0.99178363    
C     1.79796491    -0.38259859     1.53168451    
C     1.73843713     0.62427839     0.36982893    
O     2.45739326     0.01350123    -0.68528532    
C     3.30719483     0.89292715    -1.40270978    
C     0.28592983     0.99422793    -0.09176538    
N     0.32404304     1.46719426    -1.49393215    
C    -0.18541399     2.06493767     0.76194605    
C    -0.57768714     2.95934534     1.47603161    
H    -4.25906945     1.32705347    -0.82934547    
H    -5.18037311    -0.18572442    -0.68978559    
H    -4.40307995     0.53489587     0.73755683    
H    -2.99575164    -1.41195547    -0.09198348    
H    -2.86810625    -0.62449864    -1.70505299    
H    -0.86363832    -0.12805885     2.21355668    
H    -1.45319511    -1.63881129     1.51733317    
H     0.80637099    -2.01435646     2.52861728    
H     1.95160397    -2.89161819     0.41435620    
H     0.28251279    -3.41852959     0.68116601    
H     1.36925192    -1.48964822    -1.44325649    
H     0.18393583    -2.83354663    -1.61507796    
H     1.73257769     0.18212828     2.48343295    
H     2.80432322    -0.85207921     1.52137339    
H     2.25010146     1.57026579     0.67171443    
H     3.63917724     0.28040619    -2.24850172    
H     2.76615193     1.77780596    -1.76131989    
H     4.15695734     1.18277202    -0.77844802    
H     0.56784530     0.69551418    -2.10595438    
H    -0.59170626     1.80605371    -1.76764404    
H    -0.91575434     3.71849315     2.07985384    
034
G17_02763 
C    -3.92972750    -1.06459216     0.68453793    
N    -3.41880534    -0.95787476    -0.69782114    
C    -2.75215092     0.32285265    -0.96074282    
C    -1.30747465     0.42706707    -0.40718402    
C    -0.47769394     1.61898819    -0.88476732    
C     0.88851372     1.52321133    -0.14912890    
C     1.79144169     2.71496396    -0.45064303    
N     0.67071916     1.45737123     1.29329445    
C    -0.40208563     0.93683026     1.74829362    
O    -1.43146030     0.43250098     1.00340909    
C     1.53554264     0.20099029    -0.66047771    
O     2.72451591     0.00902756     0.08229379    
C     3.26908061    -1.29044021    -0.09007259    
C     2.28948060    -2.37545023     0.39893696    
N     0.90356710    -2.12223955     0.03126419    
C     0.60049193    -0.96743185    -0.42632823    
O    -0.70474952    -0.79509912    -0.80676644    
H    -4.65038698    -0.25595313     0.88130486    
H    -4.46857350    -2.02278223     0.77727713    
H    -3.14763734    -1.03160746     1.46038616    
H    -2.77467390    -1.72966110    -0.89466248    
H    -2.71292134     0.44954113    -2.06954856    
H    -3.35572770     1.16260396    -0.55207651    
H    -0.35003220     1.60515129    -1.98018679    
H    -0.97861948     2.57509512    -0.64704599    
H     1.36979560     3.64719776    -0.05327040    
H     2.76974865     2.58132960     0.04138815    
H     1.96476758     2.83943383    -1.52283356    
H    -0.66463342     0.83545052     2.80370035    
H     1.79751039     0.28668238    -1.74037806    
H     3.55567862    -1.43791518    -1.14494443    
H     4.17902478    -1.23862788     0.53592590    
H     2.57175228    -3.37538962    -0.00494837    
H     2.32134916    -2.46103834     1.51281802    
025
G17_02772 
C    -0.15156224     3.35316276     0.13936649    
C    -0.31700599     1.89974416    -0.02511779    
C     0.63455518     0.96412061    -0.16898386    
N     0.28487639    -0.42441249    -0.39711170    
C     1.44497100    -1.16051974    -0.14509448    
O     1.36601141    -2.49259734    -0.12732114    
C     2.56438038    -0.35303988    -0.03255584    
N     3.86532415    -0.90217392     0.07401082    
C     2.12890330     1.04356509    -0.06333827    
O     2.77091839     2.05972620    -0.00138884    
C    -1.05284947    -0.77686038    -0.13739887    
C    -1.43966781    -2.21174604    -0.16431677    
O    -2.53033256    -2.55989845     0.21455041    
C    -1.96938129     0.21755062     0.01730165    
O    -1.65276547     1.56755045    -0.01560491    
C    -3.34991185     0.06261273     0.20670774    
C    -4.54237263    -0.07866465     0.37535003    
H    -0.54447302     3.90807993    -0.73096077    
H    -0.67977078     3.73530440     1.02904000    
H     0.91958095     3.62832173     0.24126977    
H     2.30715178    -2.86896322    -0.06258768    
H     4.31906930    -0.60788257     0.93246259    
H     4.45036807    -0.61463936    -0.70365695    
H    -0.70956230    -2.93232733    -0.55719902    
H    -5.55607842    -0.21119404     0.51921662    
036
G17_02804 
C     4.26740314    -0.88717566     0.29301822    
O     2.97281763    -0.67118686     0.81429719    
C     1.91059188    -1.07143673    -0.04831971    
C     0.81098578    -1.45898122     0.94918220    
C    -0.40330350    -2.14000782     0.32454618    
C    -1.11010798    -1.38676250    -0.81666929    
C    -2.30388528    -2.24428520    -1.25874472    
C    -1.55859571     0.04844940    -0.45192255    
C    -2.86115237     0.53078628    -1.10016877    
O    -1.65676962     0.08113699     0.95807146    
C    -1.96019620     1.25789437     1.59130982    
O    -2.04283740     1.20784814     2.78680001    
O    -0.65574830     1.03739812    -0.90229480    
C     0.64548322     1.13990429    -0.34523323    
C     1.59359990     0.11616727    -0.97601742    
C     1.05068503     2.50272687    -0.69757679    
N     1.37690241     3.57782228    -0.96592547    
H     4.91783849    -0.47984344     1.07920391    
H     4.45911493    -1.95637038     0.16086998    
H     4.42314567    -0.34320696    -0.64290557    
H     2.21158153    -1.95390998    -0.65431182    
H     1.26042116    -2.14340120     1.70432653    
H     0.49766180    -0.58341952     1.55474344    
H    -0.10565992    -3.14089442    -0.04948764    
H    -1.14289324    -2.32847351     1.13577231    
H    -0.40877838    -1.29253762    -1.68379518    
H    -3.08316124    -2.27836343    -0.48769370    
H    -2.75739657    -1.87770033    -2.18544014    
H    -1.99504659    -3.27946316    -1.45094177    
H    -3.72994788     0.05714024    -0.62807256    
H    -2.97695358     1.62032792    -1.02198639    
H    -2.87837012     0.30206409    -2.17356732    
H    -2.08425782     2.13422246     0.95778071    
H     0.59498446     1.03099305     0.77312030    
H     2.55238306     0.60454572    -1.25492358    
H     1.16809381    -0.23830133    -1.93548510    
041
G17_03272 
C    -4.94540760     0.53558585    -1.75508657    
C    -3.90034250     0.74507917    -0.65998002    
C    -2.74170937    -0.24419113    -0.82777652    
C    -1.70006790    -0.06600038     0.29368614    
C    -2.17777866    -0.74440514     1.61000466    
N    -1.23885463    -0.39620170     2.70064869    
N    -0.42327393    -0.64531206    -0.12069771    
C    -0.20348236    -1.97287249    -0.46239196    
N     1.11400752    -2.22464884    -0.58565851    
C     1.77687499    -1.03742850    -0.27551457    
N     3.15768089    -0.92917689    -0.15396397    
C     3.95150443    -1.99201733    -0.79126445    
C     0.83118477    -0.03367706     0.01998103    
C     1.07670437     1.39760098     0.31556375    
C     1.63848643     1.58901168     1.72546419    
O     2.07048743     1.76536387    -0.64879859    
C     2.16067439     3.15476153    -0.88069354    
H    -4.51641191     0.67815145    -2.75388479    
H    -5.36988482    -0.47409248    -1.72010026    
H    -5.77576364     1.24297970    -1.65268398    
H    -3.52248943     1.78562091    -0.69430938    
H    -4.37046545     0.62778537     0.33519533    
H    -3.12096967    -1.28196587    -0.85016663    
H    -2.25692157    -0.08524392    -1.81408758    
H    -1.54479297     1.03044482     0.49663912    
H    -3.18001201    -0.34703321     1.88574314    
H    -2.28786599    -1.83819178     1.45966631    
H    -1.41607561    -0.94071608     3.52909993    
H    -0.28254616    -0.55094212     2.40675896    
H    -0.98648425    -2.69043311    -0.63244181    
H     3.49481742     0.01552900    -0.34536926    
H     3.58183241    -2.98173570    -0.45744248    
H     3.90062049    -1.97442297    -1.89151031    
H     4.99965425    -1.88822317    -0.46889192    
H     0.16589371     2.02193808     0.15848115    
H     0.88309521     1.35281920     2.48524638    
H     2.50018764     0.92939107     1.89728407    
H     1.97187062     2.61738057     1.89222969    
H     1.21953037     3.54545532    -1.28067046    
H     2.45457447     3.69130296     0.02641367    
H     2.95238259     3.22614259    -1.63780581    
043
G17_03430 
C     5.52265563     1.09873990     0.98042310    
C     4.68105404     0.37349447    -0.06594058    
C     3.19094531     0.72185877     0.11103081    
N     2.40942850     0.08146532    -0.97422274    
C     2.22907047    -1.37543771    -0.77241667    
C     0.84584986    -1.61613543    -0.08385907    
N     0.94364824    -2.05372967     1.31692022    
C     0.11243438    -0.24368281    -0.15844006    
C     1.02946011     0.62438933    -1.05820181    
C    -1.31359512    -0.37374338    -0.72152817    
C    -2.17190565    -1.22983105     0.22411438    
C    -3.53316183    -1.57994330    -0.39887104    
N    -4.15313508    -2.68527581     0.36967985    
C    -1.94891743     1.00776781    -0.97544605    
C    -2.07140289     1.86626325     0.29426693    
C    -2.75890673     3.10226344     0.00073534    
N    -3.31237657     4.09033316    -0.23497149    
H     6.58622245     0.85666480     0.86690836    
H     5.42575780     2.18709078     0.89117364    
H     5.23063839     0.82167555     1.99920352    
H     5.00252659     0.65310061    -1.08944560    
H     4.83761001    -0.71791610     0.00317948    
H     2.84339541     0.43867947     1.12466718    
H     3.06560190     1.82456371     0.02455749    
H     2.24485542    -1.84228739    -1.78050291    
H     3.06086687    -1.82518183    -0.20569604    
H     0.27962383    -2.40035253    -0.64265994    
H     1.32409852    -2.98151604     1.40430894    
H     1.48155924    -1.42092763     1.88487651    
H     0.06067576     0.19703772     0.86231800    
H     0.99297817     1.69312858    -0.78780758    
H     0.72779243     0.55220665    -2.12655328    
H    -1.25289183    -0.89794279    -1.71027461    
H    -1.63422304    -2.17401916     0.47168820    
H    -2.30347216    -0.73129123     1.19981701    
H    -4.18072135    -0.67931149    -0.44827770    
H    -3.39643588    -1.94345814    -1.44236506    
H    -4.15899696    -2.49997014     1.35848753    
H    -5.09463542    -2.86738253     0.06682535    
H    -1.35997274     1.55473798    -1.73847833    
H    -2.95120011     0.86875059    -1.42869469    
H    -2.61367174     1.29942086     1.08997367    
H    -1.06060188     2.07339830     0.71982247    
032
G17_03855 
C     0.21721971    -2.54807496    -0.40258351    
N     0.05726130    -1.11622197    -0.09345881    
C     1.29399140    -0.48281827     0.42354201    
C     2.30859758    -0.33346441    -0.72308305    
C     3.67968314     0.06012739    -0.22779340    
O     4.65136791    -0.11342840    -0.91782208    
C     0.98253370     0.91597610     0.93277494    
N     1.51418904     1.40945276     1.97219759    
O     0.20657443     1.72318887     0.14142621    
C    -0.87366511     1.25392036    -0.58557763    
O    -0.99283244     1.65311713    -1.70422201    
C    -1.84391524     0.39075333     0.20031785    
C    -2.43466514     1.22663462     1.33040354    
C    -2.97502149    -0.09840519    -0.74401621    
O    -2.47650432    -1.00958751    -1.68839797    
C    -1.11934378    -0.84354105     0.71763379    
N    -1.60274227    -1.52973807     1.67502658    
H     0.53377105    -3.16793420     0.44866784    
H    -0.74630695    -2.93456612    -0.79376552    
H     0.95371898    -2.66735508    -1.21755349    
H     1.74423832    -1.08440813     1.26332557    
H     2.37929433    -1.26763801    -1.32047107    
H     1.95323950     0.42027118    -1.46567517    
H     3.75744114     0.51153349     0.77005376    
H     1.34758400     2.35202177     2.28030851    
H    -3.02602164     2.07047981     0.95353515    
H    -3.09335682     0.61260672     1.96885396    
H    -1.65744214     1.63270322     1.99155022    
H    -3.72952541    -0.68934610    -0.18668546    
H    -3.45721015     0.75131970    -1.26158335    
H    -1.76675419    -0.58844670    -2.22585751    
H    -1.17725029    -2.37091870     2.01784436    
039
G17_04139 
C    -6.49886866     0.43373237     0.38785758    
C    -5.10392647     0.25967991    -0.20680215    
C    -4.04231836     0.19626313     0.90183839    
C    -2.67500760     0.00549322     0.36274854    
N    -2.28522411     0.31123517    -0.87161838    
O    -0.94760379     0.00355998    -0.99825779    
C    -0.50077906    -0.49530717     0.21249464    
C    -1.54018823    -0.51930676     1.10312883    
C     0.92771629    -0.86700198     0.28143287    
C     1.08272433    -2.31578716    -0.19429977    
C     1.82719421     0.06675073    -0.57988752    
N     1.50167272     1.49663683    -0.33287448    
C     2.09337864     2.37066310    -1.36896708    
C     3.29509094    -0.15575787    -0.16630468    
N     4.03314296    -0.85949997    -0.95146558    
N     3.62452883     0.36278609     1.09701780    
C     5.04197080     0.50347519     1.44547180    
H    -7.25964564     0.47639453    -0.40065518    
H    -6.76232805    -0.39735688     1.05139828    
H    -6.57776538     1.36008831     0.96767119    
H    -5.05887355    -0.65826909    -0.82474234    
H    -4.87367050     1.09188376    -0.90281922    
H    -4.07260652     1.13183103     1.50522947    
H    -4.28815886    -0.62317777     1.61154261    
H    -1.55559133    -0.83960737     2.11978732    
H     1.26598100    -0.79290120     1.35307848    
H     2.14290794    -2.61148666    -0.22203623    
H     0.56034250    -3.01413216     0.46889948    
H     0.68861588    -2.45698716    -1.20871530    
H     1.71797961    -0.21259110    -1.66404981    
H     0.48861750     1.62276297    -0.30948372    
H     1.87462689     3.41925980    -1.10494142    
H     3.18905727     2.24934093    -1.38052227    
H     1.71848928     2.17995398    -2.38707166    
H     4.99335070    -1.05144881    -0.74129476    
H     3.03265095     1.13605497     1.40744560    
H     5.52312356    -0.49001249     1.48206714    
H     5.60277740     1.14099753     0.74175638    
H     5.12637937     0.94352104     2.45439774    
037
G17_04630 
C    -3.77981743    -2.14998692    -0.43633122    
C    -2.44862507    -1.41419678    -0.34904025    
C    -2.43847243    -0.06104321    -1.11860562    
C    -3.21910962     0.89432016    -0.20257027    
C    -3.04842556     0.26409229     1.20749505    
N    -2.16963051    -0.93698933     1.04583035    
C    -0.74293383    -0.53644756     1.08556071    
C    -0.35143538     0.44788021    -0.03233738    
O    -0.61118305     1.77413910     0.50773914    
C     0.48654965     2.55810725     0.25643529    
N     1.49018308     1.95837755    -0.28237282    
C     1.14926103     0.54567909    -0.52236358    
C     2.10924822    -0.39048843     0.21584048    
C     3.51573007    -0.28560563    -0.38117676    
C     4.49400814    -1.15558772     0.41158305    
O     5.69927672    -1.11985372    -0.34096752    
O    -1.07293354     0.32729759    -1.21932965    
H    -4.63517923    -1.49546836    -0.23516925    
H    -3.92096131    -2.59419367    -1.42748833    
H    -3.81787430    -2.95937450     0.30701326    
H    -1.63044941    -2.08635256    -0.69731142    
H    -2.76094115    -0.09002030    -2.16992653    
H    -2.80579609     1.91632615    -0.24814191    
H    -4.27528775     0.96943971    -0.49523528    
H    -2.62141937     0.97943675     1.93223870    
H    -4.01419601    -0.08643011     1.62072625    
H    -0.52499513    -0.08569451     2.08008785    
H    -0.13277804    -1.46481584     1.02359363    
H     0.36578426     3.58574340     0.56061699    
H     1.19128705     0.35517410    -1.62840618    
H     2.13804565    -0.13623923     1.29377885    
H     1.74749428    -1.43465513     0.13924840    
H     3.52384197    -0.58931282    -1.44626158    
H     3.86018836     0.77088899    -0.38341220    
H     4.67809641    -0.75506656     1.42274776    
H     4.16105329    -2.20649469     0.47790702    
H     6.43263343    -1.50556623     0.17045133    
035
G17_04660 
C    -2.04689456     2.12279574     0.23468426    
C    -1.76833892     0.65818662     0.56572849    
O    -2.56487369     0.25216925     1.65397576    
C    -2.16205355    -0.28177878    -0.58991084    
C    -1.25437508    -1.50885086    -0.58403871    
C     0.18397347    -1.05593055    -0.86330149    
N     0.62567321     0.01467769     0.05619692    
C     2.05675552    -0.00437639     0.40836987    
C     2.45047517    -1.21366384     1.29712167    
O     2.67748690    -2.29627738     0.41304637    
C     2.92131544     0.01962936    -0.86118753    
C     2.62698621     1.20749172    -1.73824142    
O     3.26265807     1.40783236    -2.74299863    
C    -0.28402500     0.51706255     0.99857024    
N    -0.01896720     0.98954664     2.16855659    
C    -3.61302507    -0.71192841    -0.43208185    
O    -4.42605082    -0.42960903    -1.27456962    
H    -1.43567666     2.47915507    -0.60131227    
H    -3.10382831     2.26734035    -0.02834793    
H    -1.83664731     2.77021253     1.09842192    
H    -2.26673895     0.69128414     2.48925395    
H    -2.04788029     0.26491199    -1.56152492    
H    -1.31785434    -2.03721948     0.38846407    
H    -1.56933573    -2.24226011    -1.35197281    
H     0.86884152    -1.93571932    -0.79939655    
H     0.26534022    -0.65269427    -1.90093737    
H     2.27442192     0.93686045     0.98974393    
H     3.38058336    -1.00806625     1.85626131    
H     1.64138061    -1.48297815     1.99877310    
H     2.92770483    -3.09933544     0.91246489    
H     3.99846679     0.00174415    -0.58922329    
H     2.79932589    -0.91747936    -1.45254172    
H     1.81348826     1.87974242    -1.43838014    
H     0.89265396     0.96203490     2.57672285    
H    -3.87768275    -1.29133059     0.45909011    
029
G17_04903 
C    -4.64998507    -0.16054825    -0.91151933    
C    -3.61598498     0.18096773     0.14807117    
C    -2.82568948    -1.04259845     0.60662520    
O    -1.78595667    -0.59781009     1.46443328    
C    -0.84502549     0.22947839     0.83519296    
C     0.12373045    -0.65252519     0.02491119    
O    -0.23700149    -1.55550942    -0.67576474    
N     1.49324678    -0.36924766     0.22901015    
C     2.03505442     0.95367320     0.24686642    
C     3.36221587     0.86273519    -0.04178298    
O     4.25136742     1.85302467    -0.21726503    
N     3.75511805    -0.49774602    -0.20026719    
C     2.54578644    -1.29263264    -0.09595355    
N     2.40740661    -2.55888639    -0.09658407    
C    -1.46931978     1.26825094    -0.06597432    
N    -0.80767152     2.28131849    -0.46975926    
O    -2.74878071     1.12487907    -0.49477453    
H    -4.18906398    -0.63915868    -1.78756057    
H    -5.42028527    -0.83471302    -0.52058859    
H    -5.15247125     0.74513151    -1.27994025    
H    -4.05536594     0.73212839     1.01060377    
H    -3.41112700    -1.70964926     1.26550461    
H    -2.41556504    -1.63547912    -0.23395420    
H    -0.33164837     0.70737643     1.71393526    
H     1.41704153     1.81951675     0.42496021    
H     5.06539243     1.69736727     0.33427687    
H     4.47416337    -0.74548482    -0.85840095    
H     3.16585702    -3.19215070    -0.25039295    
H    -1.20803758     2.97208215    -1.08039291    
027
G17_05209 
N    -1.25266436    -2.68404106    -0.14593419    
C    -1.89357751    -1.44865494    -0.24032143    
C    -1.36359270    -0.18018906     0.06597868    
N    -2.36969280     0.74001512    -0.22718870    
N    -3.46258075     0.14022013    -0.71810323    
C    -3.21316776    -1.19224846    -0.74744526    
C    -0.03651433     0.22701413     0.59649945    
O     0.11192661     1.63603472     0.56770555    
C     0.20328290     2.29882716    -0.65044351    
O     0.39452247     3.47474163    -0.54547246    
C     0.02336498    -0.10486690     2.02815027    
N     0.05440727    -0.38158578     3.14831462    
C     1.15090266    -0.47693442    -0.13814592    
O     1.00324059    -0.09491439    -1.48564269    
C     2.51143256     0.01750019     0.38546150    
C     3.57680642    -0.70743075    -0.23836658    
C     4.48022910    -1.31781914    -0.76401846    
H    -1.81827391    -3.47468881    -0.40979113    
H    -0.76799036    -2.85045945     0.72162815    
H    -2.36338467     1.72862357    -0.05643400    
H    -3.93189256    -1.89851882    -1.11348462    
H     0.06048948     1.70650267    -1.55395660    
H     1.05285069    -1.58430868    -0.06126474    
H     1.61663207    -0.60343142    -2.06069212    
H     2.61102647     1.11724344     0.19529348    
H     2.56391900    -0.07793695     1.49791570    
H     5.25129835    -1.83456051    -1.20598288    
032
G17_05361 
C    -1.34769973     2.38233044    -0.89933758    
N    -1.24838786     1.59681738     0.33417228    
C    -2.33273456     0.59514143     0.51341098    
C    -1.79195938    -0.26065773     1.67950325    
C    -0.35341507    -0.51683665     1.15413143    
C     0.58491530    -1.03372426     2.23081162    
N    -0.44633138    -1.45760799     0.03423643    
C    -1.51424068    -1.40956422    -0.85657655    
O    -1.55621637    -2.22945413    -1.74940067    
C    -2.57345329    -0.34534352    -0.68570533    
C     0.04705834     0.92262505     0.61009476    
C     1.04925903     0.87679511    -0.56276765    
O     1.36342348     2.16228561    -1.02270105    
C     2.36647505     0.24842037    -0.10295897    
O     3.14567501     0.84615603     0.59031400    
C     2.62731364    -1.10585854    -0.56144087    
N     2.81195474    -2.18469243    -0.92839017    
H    -1.11333966     1.83848750    -1.82766656    
H    -2.36685210     2.79659842    -0.98075581    
H    -0.65351634     3.24128445    -0.82884042    
H    -3.26390528     1.14857456     0.76908993    
H    -1.78994390     0.29513118     2.63002510    
H    -2.36030100    -1.18412739     1.84813063    
H     0.23154961    -1.99156794     2.64141703    
H     1.60824894    -1.19623347     1.87339487    
H     0.64787953    -0.33346000     3.07587352    
H     0.20987252    -2.22599646    -0.02475414    
H    -3.55534173    -0.85457711    -0.57652763    
H    -2.66120764     0.22884493    -1.63151562    
H     0.50953712     1.51079054     1.44767205    
H     0.62950986     0.37881865    -1.46984501    
H     1.72118714     2.72612585    -0.29478139    
035
G17_05806 
C    -4.46812859    -1.28373253     0.82443035    
C    -3.88766156    -0.61641467    -0.37890926    
O    -4.48723574     0.21270792    -1.01274522    
C    -2.49098544    -1.04304569    -0.80872834    
C    -1.41851962    -0.25603767    -0.05576807    
O    -1.73808009    -0.36033705     1.30519867    
C    -0.01234874    -0.84082285    -0.31173682    
O     0.85697987    -0.01668831     0.44764287    
C     2.11524550     0.21687381    -0.14478626    
C     2.98237277     0.76424080     0.99061496    
C     4.44138834     0.81520780     0.53296893    
C     4.87247330    -0.56283546     0.01973379    
C     3.90710757    -1.02954909    -1.07245075    
O     2.57302347    -1.04774462    -0.60341454    
C    -1.42140483     1.22444651    -0.44232968    
O    -1.24809832     1.35083925    -1.78264903    
O    -1.52584381     2.17887059     0.27534086    
H    -5.50447946    -0.96122954     1.00251917    
H    -4.46116775    -2.37666936     0.74132461    
H    -3.88603518    -1.02372482     1.72797557    
H    -2.35584317    -2.12898017    -0.63772419    
H    -2.37569795    -0.87917373    -1.90402110    
H    -1.09816472     0.15962182     1.85316152    
H     0.08349191    -1.86305024     0.09892261    
H     0.24052254    -0.84802265    -1.38635474    
H     2.00075061     0.89036544    -1.01888298    
H     2.62061440     1.75990334     1.30460230    
H     2.87473495     0.11042871     1.88005459    
H     4.57372496     1.57983786    -0.25539477    
H     5.09009662     1.13349348     1.37136430    
H     5.90591828    -0.53438779    -0.36794948    
H     4.87334032    -1.29143613     0.85426658    
H     3.96347884    -0.39672162    -1.97591267    
H     4.06854130    -2.08803002    -1.35043557    
H    -1.30962172     2.28400089    -2.10338039    
034
G17_05942 
C     3.05160175    -0.50158841    -0.69245461    
C     2.29977827    -0.84458948     0.59427457    
C     3.24773801    -0.74609900     1.79810587    
C     1.06079951     0.04620915     0.84405812    
C     1.39141316     1.54851046     0.82174311    
C     1.00477398     2.04106211    -0.54711486    
O     1.31156831     3.09963591    -1.01895842    
C     0.16327469     1.00098862    -1.25219172    
C    -0.07469755    -0.11399313    -0.22312396    
C    -0.07855647    -1.48829610    -0.88713035    
N    -0.42651625    -2.56327164    -0.09717849    
O     0.17017182    -1.65084897    -2.06271995    
C    -1.43088518     0.09908563     0.45949851    
O    -1.55133672     0.28227065     1.65073899    
N    -2.54962706     0.05518683    -0.36309214    
C    -3.84784560     0.25081515     0.17689580    
N    -4.80769708     0.15969067    -0.67056715    
H     3.37353485     0.54454196    -0.72048388    
H     3.95153823    -1.11876117    -0.79906729    
H     2.43631503    -0.68590930    -1.58331809    
H     1.96040874    -1.90923866     0.52287283    
H     3.68664365     0.25297411     1.89363953    
H     2.73593686    -0.97479801     2.73880085    
H     4.07956283    -1.45332489     1.69907747    
H     0.65467101    -0.22870972     1.85053146    
H     0.81586683     2.09616368     1.59654472    
H     2.45215699     1.75986752     1.04585661    
H    -0.75974009     1.44701869    -1.66332582    
H     0.70482088     0.61992810    -2.15047329    
H    -0.62135762    -2.48361524     0.87797996    
H    -0.45644419    -3.48333196    -0.49458260    
H    -2.48083354    -0.13417044    -1.36381481    
H    -3.86828777     0.45979350     1.25988030    
H    -5.76573082     0.28432989    -0.40031285    
