017
G10_00184 
C    -2.85119900     1.00615500     0.00051500     
C    -1.58637400     0.20212000     0.00003400     
N    -1.53469900    -1.07921600    -0.00041400     
O    -2.79559800    -1.64948100    -0.00026700     
C    -0.27048200     0.93020900    -0.00007400     
O    -0.26997500     2.14992700    -0.00017500     
C     1.01216000     0.20628000    -0.00002700     
C     1.36142900    -1.11596200     0.00035000     
O     2.68423800    -1.25243100     0.00039600     
N     3.28137500     0.02073000    -0.00013500     
C     2.28493200     0.86014700    -0.00032300     
H    -3.45508000     0.75906700     0.87934600     
H    -2.61263200     2.06830300     0.00018300     
H    -3.45609500     0.75847100    -0.87741100     
H    -2.60826700    -2.59559700    -0.00075200     
H     0.78213000    -2.02247900     0.00067200     
H     2.47109600     1.92381500    -0.00067900     
016
G10_00195 
C     3.74185800    -0.82928200    -0.14425000     
C     2.54515300    -0.02907900     0.06385500     
C     1.54352100     0.61981900     0.21900900     
C     0.38072400     1.42687900     0.46128700     
N    -0.50206100     1.76896900    -0.67964500     
C    -1.02920400     0.93060700     0.38684900     
C    -1.39290500    -0.48583600     0.01523500     
F    -0.58470000    -1.01298700    -0.89911500     
F    -1.36420600    -1.27145700     1.10516400     
F    -2.64692200    -0.52785200    -0.46956700     
H     4.41271800    -0.35854100    -0.87117100     
H     4.29988600    -0.95742600     0.78967900     
H     3.48774200    -1.82596500    -0.52071100     
H     0.52658200     2.20472200     1.20962600     
H    -0.84721100     2.72065900    -0.59022900     
H    -1.73772700     1.34578600     1.10007700     
015
G10_00197 
N     4.56376900    -0.94964500     0.28672500     
C     3.54050800    -0.42010400     0.13588200     
C     2.33963600     0.20468700    -0.03741200     
C     1.27707300     0.75920500    -0.18855400     
C    -0.01112000     1.42208400    -0.35791000     
C    -1.18145800     0.50575500    -0.11531500     
C    -1.96991800     0.40758900     1.00176100     
N    -2.88462300    -0.57908800     0.71133000     
C    -2.61243500    -1.02530700    -0.54698700     
N    -1.59138500    -0.39186000    -1.07398300     
H    -0.05860400     2.28200600     0.32085000     
H    -0.07178400     1.81904200    -1.37854800     
H    -1.96682100     0.92680400     1.94557500     
H    -3.61966500    -0.90415200     1.31693700     
H    -3.19116900    -1.80299800    -1.02210100     
015
G10_00481 
N     4.56154900    -0.83824500     0.38846300     
C     3.52121100    -0.36113800     0.19236200     
C     2.29939000     0.20323400    -0.04110700     
C     1.22092900     0.70378700    -0.24749600     
C    -0.08138300     1.31251400    -0.50923600     
N    -1.19969600     0.43953500    -0.20132800     
C    -1.58239400    -0.69313600    -0.89365500     
C    -2.66917700    -1.17945000    -0.21974700     
N    -2.96615500    -0.38380000     0.86412500     
C    -2.06778700     0.56916800     0.84880100     
H    -0.18708300     2.22232200     0.09151400     
H    -0.13200600     1.62199900    -1.56037100     
H    -1.05180400    -1.02681200    -1.77011100     
H    -3.25752900    -2.05337100    -0.45378200     
H    -1.98619100     1.38355200     1.55440200     
014
G10_00535 
C    -4.76873200     0.01462800     0.00004100     
C    -3.56088600    -0.00762000     0.00001200     
C    -2.20376600    -0.03272500    -0.00002400     
C    -0.99123400    -0.05370300    -0.00005200     
C     0.43015000    -0.04363700    -0.00003700     
N     1.08476800    -1.21972900    -0.00001400     
C     2.41274500    -1.15261700     0.00001400     
C     3.10010800     0.06086900     0.00003400     
N     2.45906400     1.23198600     0.00001600     
C     1.13118900     1.17660000    -0.00001300     
H    -5.83057000     0.03325000     0.00006800     
H     2.95103600    -2.09706100     0.00002800     
H     4.18619100     0.08934800     0.00006800     
H     0.58907500     2.11788300    -0.00003100     
014
G10_00553 
C     2.54385800     2.12861900    -0.16269200     
C     1.88696500     1.12260100    -0.09172100     
C     1.09011500    -0.03310800    -0.00230600     
C    -0.23759400    -0.20219800     0.28729200     
C    -1.23615800     0.86435100     0.63480800     
C    -2.50636600     0.71256400    -0.07917300     
N    -3.51110000     0.57771400    -0.63247500     
C    -0.40934000    -1.60919200     0.20518800     
N     0.70461900    -2.22665700    -0.10048800     
O     1.66304100    -1.23699100    -0.23190400     
H     3.13226600     3.01115200    -0.23006500     
H    -1.45177100     0.86112800     1.71118600     
H    -0.81543700     1.84927200     0.40646300     
H    -1.31291300    -2.18484400     0.35001900     
021
G10_00601 
N     0.06217800     2.71162800    -0.00073200     
C     0.30393600     1.58040000    -0.00042800     
C     0.63799200     0.16004000     0.00008100     
C     1.68122600    -0.28039100    -1.09033300     
C     2.45971300    -1.06183600     0.00018700     
C     1.68173300    -0.27944400     1.09037800     
C    -0.61723100    -0.71497100     0.00061600     
C    -1.73407100    -0.44664300     1.03669900     
O    -2.73370400    -0.39897300    -0.00017500     
C    -1.73352800    -0.44819600    -1.03644800     
H     1.27490900    -0.84414400    -1.93317200     
H     2.24323000     0.57220200    -1.47538700     
H     2.22627300    -2.12913900     0.00068900     
H     3.54488600    -0.94977300    -0.00011000     
H     2.24392700     0.57350300     1.47438000     
H     1.27584800    -0.84242100     1.93394500     
H    -0.30086500    -1.76122600     0.00150100     
H    -1.93245700    -1.24117900     1.76471100     
H    -1.64463900     0.51246300     1.56383800     
H    -1.64378700     0.51012900    -1.56497300     
H    -1.93156200    -1.24378100    -1.76341000     
016
G10_00629 
C     3.32617200    -0.08687200    -0.00043600     
C     2.07953000     0.79565400     0.00041000     
C     0.76931200     0.05663000     0.00010100     
N     0.79040600    -1.23104400     0.00013200     
O    -0.39855400    -1.93757600     0.00007800     
N    -1.63116700    -1.32029700     0.00000500     
C    -1.64146900    -0.04570500    -0.00001500     
F    -2.83077000     0.53636700    -0.00018900     
C    -0.47939000     0.82959800     0.00005400     
N    -0.48607300     2.10923500    -0.00003800     
H     3.35728300    -0.73388200     0.87987100     
H     3.35739000    -0.73201500    -0.88212800     
H     4.22197300     0.53968900     0.00024100     
H     2.06921000     1.46883800     0.86684500     
H     2.06884700     1.47015700    -0.86496900     
H    -1.44643200     2.45943100    -0.00015400     
015
G10_00959 
C    -3.73748900    -0.83083400     0.12944300     
C    -2.53672300    -0.03496200    -0.06653800     
C    -1.53008500     0.60785800    -0.21612100     
C    -0.37735100     1.43047500    -0.44262000     
O     0.48486000     1.74798200     0.67461600     
C     1.02144500     0.96064500    -0.36612400     
C     1.40016700    -0.46389100    -0.01926300     
F     0.57013700    -1.02641700     0.85294900     
F     1.42184500    -1.21274400    -1.13317700     
F     2.63482100    -0.49234100     0.50703100     
H    -4.41049900    -0.35768700     0.85254500     
H    -4.28763500    -0.94935800    -0.81022400     
H    -3.49100600    -1.83032400     0.50282800     
H    -0.54427800     2.28300900    -1.10115200     
H     1.77353400     1.43827800    -0.99480900     
015
G10_01053 
C    -2.26994100     2.11782900    -0.20647100     
C    -1.69528700     1.12851400     0.15334400     
C    -0.98033100    -0.06958800     0.60962900     
C    -1.58532800    -1.29176300     0.03701900     
N    -2.04900700    -2.25683900    -0.39472300     
C     0.49800200    -0.01176600     0.33506600     
C     1.58304300    -0.03964600     1.15263900     
C     2.72737700     0.05291800     0.29465200     
C     2.24105200     0.12768300    -0.97082500     
O     0.88246100     0.08968000    -0.96337600     
H    -2.77900800     2.99137400    -0.53274400     
H    -1.08650900    -0.14759300     1.69970100     
H     1.57364000    -0.11635100     2.22862000     
H     3.76522200     0.06107500     0.58701500     
H     2.69848800     0.20684200    -1.94285000     
015
G10_01165 
C     2.55131600     1.82266200    -0.32125200     
C     1.82498400     0.87880500    -0.16729500     
C     0.96680300    -0.26867200    -0.00479900     
C     1.46784500    -1.61223300    -0.36828100     
O     1.39546300    -1.22674200     0.99632600     
C    -0.49881600    -0.00789700    -0.03018900     
N    -1.37183900    -0.92243200    -0.43050800     
N    -2.54959500    -0.28868600    -0.24704900     
C    -2.34382100     0.95500700     0.23233100     
N    -1.05337100     1.16903400     0.38199900     
H     3.18585200     2.66522100    -0.44471300     
H     0.74842900    -2.36331200    -0.68597700     
H     2.47007200    -1.69124400    -0.78536200     
H    -3.41145700    -0.75601800    -0.47773900     
H    -3.14283100     1.64785200     0.44900100     
013
G10_01205 
N    -1.19240200     2.07105900     0.08730600     
C    -1.20446600     0.68869900     0.00686100     
C    -0.17871000    -0.21294900     0.00038100     
O    -0.66013600    -1.48045300     0.00026700     
N    -2.03427000    -1.43072000    -0.00479600     
C    -2.35392700    -0.16159800     0.00392900     
C     1.29931800    -0.04946000    -0.00079700     
F     1.87130200    -0.50308600     1.12067500     
F     1.87815500    -0.68871600    -1.02305500     
F     1.60119800     1.26243500    -0.11003100     
H    -1.96026200     2.52330700    -0.38728600     
H    -0.30495500     2.48870200    -0.15093800     
H    -3.39617500     0.12539700     0.00795900     
016
G10_01217 
C     3.13496700    -0.48903400     0.32711100     
C     1.72673100    -0.79239400    -0.13404500     
O     1.40351700    -1.85739600    -0.60302100     
C     0.69862800     0.31648400    -0.01254000     
N     1.19828000     1.50310100     0.01526100     
O     0.23924200     2.50212300     0.02765400     
C    -0.72094100    -0.01495600     0.00016700     
C    -1.83632500     0.72786800    -0.28499100     
O    -2.91817600     0.00151100    -0.10548200     
N    -2.43772000    -1.31235900     0.35064500     
N    -1.19719900    -1.25927200     0.38699100     
H     3.76694800    -1.35081000     0.11170100     
H     3.52136700     0.40525500    -0.16739700     
H     3.14093200    -0.28256300     1.40270600     
H     0.76873400     3.30691900     0.07344700     
H    -1.95653100     1.74320000    -0.61816100     
020
G10_01487 
C    -1.13929800     2.48201000     0.17622500     
C    -1.10666100     1.28228300     0.09508900     
C    -1.07806200    -0.15156400    -0.00512000     
C    -2.15561400    -0.95785700     0.70533300     
C    -2.17908200    -0.85017800    -0.78847200     
C     0.30489500    -0.77861600    -0.07258900     
O     1.05362000    -0.31493700    -1.18348300     
C     2.17382900     0.41533800    -0.69251700     
C     2.36481200    -0.17084200     0.70390000     
O     1.03111000    -0.46530000     1.09613000     
H    -1.16881300     3.54050600     0.25135000     
H    -1.84823900    -1.89638700     1.15418800     
H    -2.88665700    -0.39999200     1.27689700     
H    -2.92665400    -0.21741000    -1.25016900     
H    -1.88986000    -1.71453600    -1.37686400     
H     0.19514000    -1.87202900    -0.17912000     
H     3.02131700     0.24569300    -1.36208600     
H     1.94824000     1.48818800    -0.64998900     
H     2.97845600    -1.08360300     0.67587800     
H     2.79031100     0.52801600     1.42764800     
019
G10_01552 
O     3.00583100    -0.64124600     1.02972200     
N     1.79409200    -1.04326100     0.51213500     
C     1.23256600    -0.14382300    -0.20969900     
C     1.83347700     1.13599500    -0.46580600     
N     2.31089700     2.15967700    -0.71587000     
C    -0.11887500    -0.44539200    -0.83540800     
C    -0.53562700    -1.89647800    -0.74206100     
C    -1.69987800    -2.05560000    -0.11633800     
C    -2.29505400    -0.75490500     0.35793400     
C    -1.27765000     0.25913500    -0.12070100     
N    -1.30254600     1.52311200    -0.00652300     
O    -2.44580200     1.95249700     0.67738600     
H     3.29396000    -1.41376700     1.53028600     
H    -0.06965800    -0.10758700    -1.87987300     
H     0.07661000    -2.68740300    -1.15509100     
H    -2.18954400    -3.00887300     0.04478100     
H    -3.28487500    -0.54482900    -0.06827900     
H    -2.42659400    -0.70708700     1.44707500     
H    -2.33098600     2.90925800     0.68851100     
014
G10_01783 
N    -4.76011700     0.01348500    -0.00041800     
C    -3.59798500    -0.00427200    -0.00011400     
C    -2.23472600    -0.01934600     0.00024800     
C    -1.02463300    -0.03463500     0.00053400     
C     0.40286800    -0.01849300     0.00022500     
N     1.02519200    -1.21148300     0.00010900     
C     2.35543600    -1.20416700    -0.00012200     
C     3.12701100    -0.04108400    -0.00026000     
C     2.47504200     1.18675400    -0.00014200     
C     1.08614200     1.20525300     0.00010400     
H     2.83460500    -2.17997200    -0.00020300     
H     4.20906900    -0.10444500    -0.00045200     
H     3.03545500     2.11526200    -0.00023700     
H     0.53041900     2.13508900     0.00021300     
014
G10_02469 
N    -2.15145100     2.17790600    -0.30867500     
C    -1.65241900     1.21231100     0.07882200     
C    -0.99241800    -0.00114200     0.59908400     
C    -1.65174000    -1.21330000     0.07480800     
N    -2.14992700    -2.17803700    -0.31592500     
C     0.48632200    -0.00032700     0.33406900     
C     1.56495100    -0.00450300     1.16032400     
C     2.71365000    -0.00170300     0.30439200     
C     2.23529200     0.00377200    -0.96674400     
O     0.87648300     0.00476700    -0.96585100     
H    -1.12223500    -0.00297400     1.68839000     
H     1.54944300    -0.00884900     2.23895000     
H     3.74983900    -0.00359100     0.60213100     
H     2.69890600     0.00755600    -1.93900000     
015
G10_03528 
C    -4.59340400    -1.13799600    -0.00010400     
C    -3.49171400    -0.18688400     0.00011800     
C    -2.58109200     0.59817000     0.00026300     
C    -1.47433500     1.55512300     0.00005000     
C    -0.15634200     0.91777100    -0.00045800     
C     0.92800200     0.40341100    -0.00058100     
C     2.24380500    -0.22593700    -0.00000500     
F     3.22311500     0.69029900     0.00098400     
F     2.41672500    -1.00026300     1.08048700     
F     2.41806800    -0.99927600    -1.08097500     
H    -5.56018000    -0.62315700     0.00049600     
H    -4.55986800    -1.78250900    -0.88499700     
H    -4.55931500    -1.78352500     0.88402500     
H    -1.54591500     2.21530500    -0.87544500     
H    -1.54541300     2.21509000     0.87575300     
013
G10_03547 
C     4.74685900     0.00001500    -0.00011200     
C     3.53913100    -0.00004600     0.00000900     
C     2.18220400    -0.00002100     0.00007400     
C     0.97068500    -0.00000600     0.00008100     
C    -0.45502800    -0.00000600     0.00011200     
N    -1.07539000     1.19172700     0.00003200     
C    -2.40319300     1.11792000    -0.00005600     
N    -3.13261600     0.00000900    -0.00007000     
C    -2.40320900    -1.11790300    -0.00005900     
N    -1.07539900    -1.19172500     0.00003400     
H     5.80916300     0.00019200    -0.00018200     
H    -2.94500300     2.06114400    -0.00004400     
H    -2.94502100    -2.06112700    -0.00004200     
015
G10_04034 
C     2.52374000     1.85960000    -0.18823700     
C     1.79278400     0.90837700    -0.11488600     
C     0.94657100    -0.25011600    -0.00601100     
C     1.46201800    -1.55681500    -0.53644700     
N     1.38348800    -1.35352900     0.90594100     
C    -0.51673200    -0.00788300    -0.00864500     
N    -1.08277700     1.17443200     0.20594100     
N    -2.36643000     0.85879600     0.10771800     
N    -2.60850000    -0.41759400    -0.15155500     
N    -1.43574300    -0.98493700    -0.23196200     
H     3.15972200     2.70737900    -0.25650900     
H     0.73672000    -2.25902800    -0.93421600     
H     2.42947000    -1.53473200    -1.02877600     
H     2.29935600    -1.11013400     1.27753700     
H    -3.10581300     1.53735700     0.21473600     
016
G10_04102 
C    -3.27079200    -0.97985500    -0.29577000     
C    -2.20274700    -0.46131300    -0.10588400     
C    -0.94491900     0.14943100     0.13560500     
C    -0.71249600     1.37823500     0.99612000     
C    -0.29806900     1.42738000    -0.46193400     
C     0.96562800     0.60624800    -0.59147800     
C     2.31826600     0.41653700    -0.41685200     
C     2.37852000    -0.87666400     0.18841300     
N     1.17991700    -1.41142000     0.44341300     
N     0.34914700    -0.51596900    -0.13080700     
H    -4.21055200    -1.44319600    -0.47044200     
H    -1.61192900     1.92751600     1.26009000     
H     0.04969500     1.33760100     1.76743900     
H    -0.74467000     2.09389100    -1.18563200     
H     3.14423900     1.05764200    -0.67628400     
H     3.26942500    -1.44171900     0.42725800     
018
G10_04122 
C     2.47567600     2.25084600     0.00001200     
C     1.85064700     1.22051200    -0.00001400     
C     1.12396000     0.01428200     0.00000600     
C    -0.24813200    -0.23288800     0.00002200     
C    -0.33665400    -1.64351400     0.00009300     
N     0.86010100    -2.22886200    -0.00002700     
N     1.72888300    -1.21371700    -0.00002900     
C    -1.31924000     0.77904900    -0.00002100     
C    -2.61588800     0.54231600    -0.75072800     
C    -2.61588000     0.54239300     0.75069900     
H     3.02324400     3.16067400     0.00008000     
H    -1.22601500    -2.25692900     0.00013800     
H     2.71791700    -1.39920400    -0.00009600     
H    -0.95259100     1.80011900    -0.00010500     
H    -3.05995800     1.38436500    -1.26997600     
H    -2.72620300    -0.40678700    -1.26405100     
H    -2.72625600    -0.40665400     1.26411500     
H    -3.05993800     1.38449500     1.26987600     
020
G10_04615 
O    -0.89762200     2.38997100    -0.01555500     
N    -1.73783300     1.30161300     0.20944500     
C    -1.19613900     0.19997000    -0.18136000     
C    -1.98817000    -0.97755900    -0.03953700     
C    -2.59897200    -2.01211000     0.04073800     
C     0.16541200     0.06769600    -0.81294300     
C     1.44214400     0.75419000    -0.25638500     
C     1.49860500     0.32805000     1.22381700     
C     1.21664200    -1.19339100     1.00514100     
C     1.08421200    -1.15037100    -0.53214700     
O     2.21390600    -0.30393800    -0.90743300     
H    -1.40977300     3.12270300     0.34414900     
H    -3.15589000    -2.91321000     0.11966100     
H     0.10377500     0.23992300    -1.89081800     
H     1.73421400     1.76244200    -0.53906600     
H     2.48683800     0.51791500     1.64650900     
H     0.74905100     0.83147300     1.83804200     
H     2.05491400    -1.82599700     1.30278100     
H     0.31224500    -1.55030400     1.50253400     
H     1.01678500    -2.08335500    -1.08994200     
017
G10_04813 
C     2.94042200    -0.45598500     0.80516300     
C     2.16389100    -0.46384300    -0.51117800     
N     0.71983200    -0.28746500    -0.30640700     
N    -0.00127600    -1.40652800    -0.26820900     
C    -1.28715000    -1.31347500    -0.07495100     
C    -1.92264000    -0.05338800     0.09313700     
F    -3.23800000    -0.04866200     0.27891100     
C    -1.20596600     1.09296500     0.06192100     
C     0.22760100     1.03134300    -0.13339100     
O     0.99160300     1.98223700    -0.15795800     
H     2.81676300     0.50250000     1.31402000     
H     2.59719600    -1.25901700     1.46415400     
H     4.00586100    -0.60590900     0.60695200     
H     2.49494800     0.35529600    -1.15198300     
H     2.28099100    -1.41216100    -1.03731700     
H    -1.85453200    -2.23570900    -0.05186200     
H    -1.65888400     2.06731100     0.18760700     
020
G10_04960 
N     0.60438500     2.51765100     0.13015500     
C     0.30429900     1.40081600     0.09833500     
C    -0.07223200    -0.01229600     0.07928300     
C    -1.01037100    -0.47366600     1.26989400     
C    -2.07954200    -0.87422300     0.24974700     
C    -2.48162400     0.31631200    -0.57000900     
C    -1.20146000    -0.39254300    -0.90643200     
C     1.14832400    -0.90808400    -0.07077000     
C     2.33740800    -0.50411100    -0.85870700     
N     2.41449700    -0.62417500     0.61071400     
H    -0.56246800    -1.31212300     1.80563200     
H    -1.29406400     0.30029700     1.98800300     
H    -2.68850300    -1.76712200     0.30706100     
H    -3.28883000     0.14698800    -1.27494100     
H    -2.46409700     1.31697600    -0.14486700     
H    -1.01291100    -0.83669900    -1.87590400     
H     0.87396800    -1.96147500    -0.05823000     
H     2.89771600    -1.25283900    -1.41092800     
H     2.34828100     0.49145200    -1.29334600     
H     2.38991300     0.30698300     1.02338600     
019
G10_05148 
N    -2.42788800     1.93994800    -0.52592800     
C    -1.82833800     0.98354700    -0.27251700     
C    -1.07861500    -0.21951200     0.03193700     
C    -1.74847400    -1.16307700     1.00099600     
N    -1.65790900    -1.50417700    -0.41485100     
C     0.40118100    -0.09531800    -0.02359900     
C     1.25105400    -0.97921900    -0.54074400     
C     2.67165400    -0.52932500    -0.34780300     
N     2.52611200     0.85323500     0.13676900     
C     1.14387100     1.07004500     0.58726200     
H    -1.10377100    -1.74357400     1.65353300     
H    -2.70688800    -0.86913400     1.41904000     
H    -2.54644200    -1.34326500    -0.88274900     
H     0.97094900    -1.90390500    -1.02697700     
H     3.19760500    -1.19430700     0.36105800     
H     3.24637000    -0.56269500    -1.28505100     
H     3.20109500     1.08335900     0.85210700     
H     0.75726200     2.03806700     0.23717800     
H     1.02761400     1.06956600     1.68674600     
014
G10_05298 
N     4.53989600    -0.85395600     0.34957500     
C     3.50590900    -0.35292400     0.17965300     
C     2.29084400     0.23687100    -0.02134200     
C     1.21698100     0.75828700    -0.19875100     
C    -0.07938900     1.38714600    -0.41787100     
C    -1.23718300     0.49272700    -0.09257400     
N    -2.17894100     0.70471500     0.76779800     
C    -2.99954600    -0.41321400     0.66049700     
C    -2.48899400    -1.24741300    -0.27345300     
O    -1.35086300    -0.67383700    -0.77059600     
H    -0.17685000     2.27801700     0.21029600     
H    -0.14413700     1.71881100    -1.46304400     
H    -3.88603000    -0.52724500     1.26305700     
H    -2.76449800    -2.20307400    -0.68410300     
016
G10_05515 
C     2.61781100     1.11003000    -0.58854400     
C     1.34828100     0.91658000     0.20470000     
O     0.92325000     1.74132400     0.97745400     
C     0.54119700    -0.36693500     0.02522200     
N     0.98600900    -1.56983400    -0.04050000     
O     2.35983200    -1.65105600     0.02277500     
C    -0.92289900    -0.24853200     0.00815000     
N    -1.82146300    -1.12923900     0.34680000     
C    -2.98188800    -0.45643700     0.07353700     
N    -2.83186900     0.75235200    -0.39944900     
O    -1.44678500     0.89977400    -0.44649500     
H     2.83950900     2.17755500    -0.63299000     
H     3.43974000     0.58915800    -0.08913000     
H     2.53287400     0.68790800    -1.59350200     
H     2.51804800    -2.60091400    -0.03648800     
H    -3.96429600    -0.87523200     0.23590300     
014
G10_05538 
C    -0.29944600     2.94790900     0.21132900     
C     0.17461600     1.84454200     0.13107100     
C     0.72038500     0.55259300     0.04348400     
C     0.19864400    -0.70922800     0.28897400     
C    -1.16741900    -1.11418300     0.75983300     
C    -2.24629400    -0.68013700    -0.13180400     
N    -3.09921400    -0.33252300    -0.82858500     
N     1.16563000    -1.63204700     0.05091500     
N     2.25873300    -1.03022000    -0.32707600     
N     2.00117300     0.28302200    -0.33550800     
H    -0.73098800     3.91693400     0.27475800     
H    -1.18467900    -2.20547300     0.83825000     
H    -1.37049700    -0.71491600     1.76083500     
H     2.71899300     0.93685400    -0.60938800     
018
G10_05570 
C     2.88485500    -0.54210500     0.83573400     
C     2.14018500    -0.47755500    -0.49814200     
N     0.69595500    -0.29157800    -0.33719800     
N    -0.05407300    -1.41813500    -0.30106600     
C    -1.32530300    -1.30143800    -0.09663000     
C    -2.06934600    -0.05089600     0.11691900     
N    -3.33981400     0.04612300     0.31168400     
C    -1.19899600     1.10880700     0.09039500     
C     0.11704400     0.92777500    -0.12667200     
F     0.98152700     1.93651700    -0.15830400     
H     3.94989700    -0.72095200     0.66017000     
H     2.78322200     0.39704300     1.38663100     
H     2.49532800    -1.35530300     1.45434900     
H     2.52124900     0.33732300    -1.11748500     
H     2.25095100    -1.41041500    -1.05300300     
H    -1.87383600    -2.24073400    -0.08881800     
H    -3.76993400    -0.88099900     0.29744100     
H    -1.59572300     2.10298200     0.24189100     
029
G11_00224 
C     2.50244200     0.42366000     1.43815500     
C     2.29436000     0.55700200    -0.07703300     
C     3.61782400     0.29537800    -0.81464400     
C     1.19535900    -0.33757900    -0.64649100     
C     0.72476900    -1.64169100    -0.00191400     
C    -0.18980300    -0.46118000    -0.10214000     
C    -0.93790400     0.30310000     0.98281400     
C    -2.14591600     0.21164300     0.01043000     
C    -3.28177600    -0.69339800     0.46808800     
C    -2.64579800     1.53766400    -0.54404400     
O    -1.31686400    -0.47503400    -0.98138300     
H     1.58237000     0.58907300     2.00572300     
H     2.88458400    -0.56947700     1.69835200     
H     3.23876100     1.15681800     1.78280600     
H     2.00129500     1.59759600    -0.28255000     
H     3.94550800    -0.73985200    -0.66578700     
H     3.51325500     0.46007000    -1.89199200     
H     4.41170400     0.95515700    -0.44866100     
H     1.20381100    -0.37620000    -1.73461700     
H     0.52744000    -2.48549500    -0.65473100     
H     1.10597300    -1.90642800     0.97927500     
H    -1.06135500    -0.21787200     1.93479700     
H    -0.58644600     1.32063400     1.16799500     
H    -3.85918500    -0.21828000     1.26888600     
H    -3.95992600    -0.90339700    -0.36538500     
H    -2.89187300    -1.64547000     0.83859600     
H    -1.80936000     2.15322800    -0.88652400     
H    -3.31408800     1.36751500    -1.39449200     
H    -3.19889900     2.09506200     0.22004500     
012
G11_00336 
F    -2.92487900     1.25097500    -0.01268300     
C    -2.44531500     0.00239900     0.00000000     
F    -2.92587400    -0.61132400     1.08694100     
F    -2.92558500    -0.63328500    -1.07435100     
C    -0.98099500     0.00579200     0.00008100     
C     0.21972800     0.01630500     0.00000300     
C     1.63330300     0.00503000    -0.00014000     
N     2.38623700     1.10795200     0.00010400     
N     3.59521400     0.57959500    -0.00003400     
N     3.63014000    -0.74872400    -0.00001500     
N     2.38724200    -1.13537400     0.00012200     
H     4.43488000     1.14141000    -0.00005500     
026
G11_00692 
C     0.04597300     2.41633700    -0.03903300     
N    -0.54609900     1.09546100     0.04472400     
C    -1.92300500     0.93528800     0.03614200     
C    -2.19076200    -0.40784700    -0.00567500     
O    -3.44792000    -0.94496200    -0.00913200     
C    -0.94865800    -1.09050700    -0.03178000     
C     0.06454000    -0.14362700    -0.00673700     
C     1.56514700    -0.39018900     0.00300400     
C     1.82429000    -1.90227200    -0.16160500     
C     2.27708300     0.32914900    -1.16703300     
C     2.19102800     0.04358200     1.35069600     
H     0.28218300     2.69884100    -1.07175200     
H    -0.66881800     3.14035600     0.35848700     
H     0.95604900     2.48524700     0.55720600     
H    -2.58335600     1.78578000     0.05901600     
H    -3.36408700    -1.90189600    -0.04088600     
H    -0.81488000    -2.16096200    -0.04877600     
H     1.41114500    -2.27747400    -1.10236100     
H     2.90192900    -2.09381800    -0.16475000     
H     1.38580700    -2.47630700     0.65972800     
H     2.22702100     1.41698100    -1.08784900     
H     3.33751000     0.05403800    -1.18548800     
H     1.83570600     0.03991600    -2.12582300     
H     1.71322900    -0.48214500     2.18266100     
H     3.26119600    -0.19258300     1.36608200     
H     2.09160300     1.11601400     1.53661900     
022
G11_00750 
C    -0.26745300     1.35919000     1.23564400     
C    -0.28807000     0.44771000    -0.00646000     
C    -0.23924900     1.28092000    -1.30141900     
C     0.83665500    -0.61437700     0.03783400     
C     2.28212000    -0.14529500     0.01275900     
N     3.16982600    -1.20574600    -0.07515400     
N     2.60635200     1.09026100     0.02266000     
C    -1.61256800    -0.33216300     0.00345200     
F    -2.67533000     0.48655600    -0.02909200     
F    -1.72262900    -1.15920200    -1.05444600     
F    -1.74098900    -1.09742900     1.10528800     
H    -1.11114500     2.05378900     1.21247000     
H    -0.33778700     0.77170300     2.15590600     
H     0.66330700     1.92478600     1.24858800     
H     0.68614600     1.85527300    -1.32337700     
H    -0.27791700     0.63783000    -2.18545400     
H    -1.08897500     1.96717100    -1.34404200     
H     0.70606300    -1.22355300     0.94167500     
H     0.70606100    -1.30402000    -0.80449200     
H     2.84915400    -2.11465400     0.22094800     
H     4.13268100    -1.01490500     0.15708200     
H     3.62107800     1.20973900     0.00154200     
017
G11_00916 
C    -0.20478500     2.77275900    -0.00001700     
C     0.18583800     1.32140700    -0.00000500     
C     1.50345300     0.88210300     0.00002800     
C     1.82579800    -0.48578700     0.00010200     
F     3.12382000    -0.81525400    -0.00012700     
C     0.87741700    -1.48591400     0.00012400     
C    -0.45890400    -1.06222200     0.00007100     
C    -0.76973400     0.29906800     0.00002800     
O    -2.11273500     0.46711300     0.00002500     
N    -2.71408800    -0.79705500    -0.00006500     
C    -1.75115800    -1.67652100    -0.00008200     
H    -0.81203100     3.01641200     0.87832400     
H     0.67722500     3.41675800     0.00097600     
H    -0.81047000     3.01683300    -0.87932400     
H     2.31977500     1.59607500    -0.00009500     
H     1.16916200    -2.52834700     0.00010600     
H    -2.00509500    -2.72732100    -0.00008500     
029
G11_01419 
C     4.16002300     1.45157300     0.40383200     
C     3.30784500     0.28525900    -0.06963400     
C     2.46522300    -0.50038700     0.97565900     
C     1.29948800    -0.56337200    -0.04375000     
O     1.41145900    -1.81043000    -0.72828600     
C    -0.11766500    -0.34308800     0.48291900     
C    -1.17731100    -0.27321500    -0.63332100     
C    -2.57208900    -0.04765100    -0.11251500     
C    -3.25031500    -1.10978800     0.71183400     
N    -3.11177200     1.07277300    -0.41086000     
O    -4.40230800     1.18728900     0.13861800     
C     1.98867500     0.58960600    -0.83674700     
H     3.56366900     2.16527500     0.98455400     
H     4.98322500     1.11007800     1.04152200     
H     4.59792500     1.99510300    -0.44113900     
H     3.91613500    -0.41520200    -0.64884100     
H     2.83915600    -1.46797500     1.31651100     
H     2.21213700     0.11791800     1.84293500     
H     0.98936000    -1.71707800    -1.58858700     
H    -0.35526600    -1.15920800     1.17641800     
H    -0.14476600     0.58902500     1.05928400     
H    -0.93596200     0.53711200    -1.32826000     
H    -1.16487900    -1.21727700    -1.19587000     
H    -3.40411700    -0.76292600     1.73940100     
H    -4.24370300    -1.32348200     0.30635200     
H    -2.66442000    -2.03064200     0.73783600     
H    -4.68101700     2.05039400    -0.18413100     
H     1.58041800     1.56943700    -0.56673800     
H     1.99806000     0.50154200    -1.92753600     
019
G11_01444 
C     3.53718500    -1.27759800    -0.07339700     
C     2.52073000    -0.63120700    -0.05081700     
C     1.33806000     0.13296800    -0.02483200     
C    -0.00152100    -0.18660900    -0.16959600     
C    -0.94155400    -1.30959500    -0.35681900     
C    -1.90433000    -1.52504300     0.79766300     
C    -2.32617100    -0.64264200    -0.34631000     
C    -2.17309100     0.88455100    -0.20437700     
C    -0.68371100     1.03691800    -0.04255800     
N     0.12718800     2.06348200     0.17406500     
N     1.35014300     1.49743600     0.17847500     
H     4.42805800    -1.85519600    -0.09172000     
H    -0.70868500    -2.13863300    -1.01388100     
H    -2.38039700    -2.49738300     0.87154300     
H    -1.65748100    -1.07109900     1.75227800     
H    -3.10658200    -1.01280700    -1.00045200     
H    -2.53664700     1.40043700    -1.10065300     
H    -2.73868400     1.28245200     0.64517200     
H     2.16552800     2.07535800     0.29619400     
019
G11_01479 
C    -3.00539500     1.44678600     0.06655200     
C    -2.09385300     0.25990400     0.01161000     
N    -2.46112000    -0.96886400    -0.05262900     
O    -3.83284200    -1.10494200    -0.06621500     
C    -0.61275600     0.46266000     0.03278300     
O    -0.12656600     1.56606900     0.09117500     
C     0.26130600    -0.80287900    -0.01633300     
N     1.66455900    -0.46694700    -0.02690300     
N     2.31978600    -0.10642500    -1.12344500     
C     3.51739100     0.17086500    -0.62605400     
N     3.58446700    -0.01079000     0.71282600     
N     2.39467500    -0.41125300     1.08156200     
H    -3.65761000     1.38343200     0.94323100     
H    -2.41657100     2.36228600     0.11046600     
H    -3.65618100     1.46564100    -0.81316500     
H    -3.95884600    -2.06036000    -0.11593800     
H     0.06995300    -1.42302000     0.86057900     
H     0.03010800    -1.38952400    -0.90614000     
H     4.34766500     0.49847300    -1.22992700     
020
G11_01584 
C    -3.06971000     0.86940600    -0.69031400     
C    -1.90522900     0.16820100    -0.05106300     
N    -1.94753000    -0.98217500     0.51068700     
O    -3.21482500    -1.54251800     0.42793100     
C    -0.62358700     0.93108300     0.07449100     
O    -0.62402500     2.12941300     0.26333500     
N     0.59348000     0.24165700    -0.01790000     
C     1.82013600     0.79830600     0.29405300     
C     2.76362500    -0.15299700     0.00700700     
N     4.15410300    -0.07083000     0.08262100     
C     2.00850200    -1.25974300    -0.49616500     
N     0.71418200    -1.02135300    -0.50910600     
H    -3.95361200     0.79223500    -0.05180000     
H    -2.82896500     1.91794800    -0.86124600     
H    -3.32013900     0.39129300    -1.64370800     
H    -3.10195500    -2.37765900     0.89617900     
H     1.88225800     1.80011700     0.68116700     
H     4.48652900     0.64549000     0.71339400     
H     4.59826400    -0.95317600     0.29743200     
H     2.38635800    -2.20802400    -0.85371500     
029
G11_01638 
C    -4.43015700    -0.95625100     0.00061300     
C    -3.28713600     0.06441600    -0.00037100     
C    -1.90937200    -0.61063800     0.00073300     
C    -0.66213600     0.31506500    -0.00017000     
C    -0.64644400     1.19578800    -1.26520000     
C    -0.64725300     1.19931600     1.26242100     
C     0.56634200    -0.62766000     0.00154500     
C     1.96433400    -0.01489500     0.00046200     
O     2.20194700     1.16780600     0.00029500     
C     3.09529500    -1.04840100    -0.00061100     
O     4.33520100    -0.39210100     0.00110700     
H    -5.40638800    -0.46138700    -0.00018600     
H    -4.38500000    -1.60431200    -0.88203400     
H    -4.38537100    -1.60219400     0.88482800     
H    -3.38716500     0.71309000    -0.87815200     
H    -3.38752600     0.71519500     0.87580900     
H    -1.84935100    -1.27106200     0.87824700     
H    -1.84900800    -1.27324800    -0.87511100     
H    -1.50435700     1.87411900    -1.28233600     
H     0.26031500     1.80126600    -1.30318600     
H    -0.69100800     0.58186100    -2.17293600     
H    -0.69245800     0.58788600     2.17181000     
H     0.25953300     1.80480600     1.29934900     
H    -1.50514500     1.87773700     1.27711300     
H     0.51313000    -1.29657300     0.87340300     
H     0.51307600    -1.29988600    -0.86776100     
H     2.95616400    -1.69767600     0.88148700     
H     2.95690600    -1.69447500    -0.88516400     
H     5.02563200    -1.06122500    -0.00293000     
020
G11_01962 
C    -0.33334300     1.49783700    -0.76633400     
C    -0.30181000     0.12384700    -0.07964200     
C    -1.56168400    -0.68818900    -0.41613300     
C    -2.82386600    -0.12788500     0.20621500     
O    -3.92639400    -0.70687000    -0.32242600     
O    -2.87950300     0.70396600     1.07576500     
C     0.94360500    -0.70367400    -0.44835700     
C     2.25620000    -0.16796000     0.09210900     
F     2.20012300     0.04300900     1.41744800     
F     3.25018100    -1.04406000    -0.13218900     
F     2.62371000     0.99301900    -0.47841100     
H    -0.32999800     1.38786300    -1.85782100     
H    -1.23472000     2.04273200    -0.47758300     
H     0.53099100     2.10344200    -0.49132300     
H    -0.29557100     0.27993600     1.00410000     
H    -1.71378800    -0.76747400    -1.49887700     
H    -1.47307700    -1.72080900    -0.05317900     
H    -4.68460000    -0.32301000     0.14365700     
H     0.85346700    -1.71951900    -0.04951900     
H     1.05372700    -0.79150200    -1.53496200     
025
G11_02074 
C    -0.33043900    -2.10284200     0.60245000     
C    -0.75152300    -0.79112500    -0.05328700     
C     0.35446300    -0.24341700    -0.99169800     
C     1.66214100     0.11623200    -0.32853900     
C     1.88611300     1.52324300     0.12095600     
O     1.05309700     2.39040100    -0.02177100     
N     2.55180300    -0.80909700    -0.23066100     
O     3.72474900    -0.40608900     0.39195900     
C    -2.11943000    -0.82397500    -0.81159700     
C    -2.48765600     0.52882900    -0.14767200     
O    -3.80748200     0.76175500     0.27515100     
C    -1.36958400     0.28835900     0.89831500     
H    -1.14015900    -2.49987600     1.22338900     
H    -0.08171200    -2.86003500    -0.15029100     
H     0.55006100    -1.97554400     1.23973100     
H     0.55734000    -1.00272900    -1.75381100     
H    -0.01069200     0.65363200    -1.49950800     
H     2.86798400     1.73486300     0.57467600     
H     4.26277200    -1.20446100     0.35508800     
H    -2.10023000    -0.87681400    -1.90396100     
H    -2.75881400    -1.63048700    -0.43497700     
H    -2.24133000     1.37305000    -0.79683600     
H    -4.05717400     0.04988700     0.87389600     
H    -1.77742800    -0.18239400     1.80056800     
H    -0.76066600     1.14422900     1.19037800     
027
G11_02226 
C    -3.50797200    -0.73646300     0.29208800     
N    -2.06240100    -0.64558000     0.21185200     
C    -1.53276200     0.47113300    -0.11302500     
C    -2.30646300     1.73003800    -0.46410600     
N    -0.15893800     0.64041200    -0.13679700     
C     0.83650800    -0.43922000    -0.03790000     
C     0.73596500    -1.15737600     1.33051500     
C     0.71286300    -1.44958000    -1.18873100     
C     2.24386400     0.20597200    -0.04798100     
C     2.41993900     1.57326600     0.59918600     
O     3.18812300    -0.38534700    -0.51562000     
H    -3.93164400    -0.09767100     1.08254800     
H    -4.01321300    -0.46441700    -0.64745000     
H    -3.78788000    -1.76743500     0.52522300     
H    -2.97731500     2.00123700     0.35693700     
H    -1.65438500     2.58388400    -0.66207300     
H    -2.93239800     1.55944400    -1.34601100     
H     0.13276900     1.42014000    -0.70451400     
H    -0.23398800    -1.64630500     1.41002500     
H     1.53406800    -1.90056400     1.40811000     
H     0.83540600    -0.44835500     2.15796300     
H     0.81016700    -0.94548500    -2.15561200     
H     1.50601300    -2.19580500    -1.12180300     
H    -0.26161300    -1.93686900    -1.13903900     
H     1.75958900     1.71609100     1.45660500     
H     3.46583700     1.69355300     0.88517100     
H     2.18132600     2.36088600    -0.12678500     
027
G11_02570 
C     1.81827700     2.69375000     0.12400400     
C     2.07432300     1.20717400     0.31701400     
O     0.93751500     0.51035500    -0.16660500     
C     0.93370400    -0.92443000    -0.11938900     
C     2.02966200    -1.51162400    -1.02265900     
C     1.07468100    -1.45047700     1.31651500     
C    -0.45279700    -1.28755200    -0.71375100     
C    -1.58789200    -0.54722700    -0.03149900     
O    -2.00361000    -0.84543000     1.07068500     
C    -2.22437100     0.61427000    -0.77301900     
O    -3.22913200     1.21924000    -0.01623100     
H     2.67013100     3.27597100     0.48805700     
H     1.66675600     2.92433200    -0.93438200     
H     0.92526500     3.00346500     0.67409200     
H     2.98020500     0.90597400    -0.22893500     
H     2.24386500     0.99017400     1.38095400     
H     3.02641800    -1.34917700    -0.60299600     
H     1.89415800    -2.59176100    -1.13338800     
H     1.99190600    -1.05357900    -2.01546000     
H     0.30127100    -1.03603800     1.96506300     
H     0.97698800    -2.54025200     1.32694100     
H     2.05781100    -1.20655200     1.72831300     
H    -0.44688900    -1.04636300    -1.78147900     
H    -0.62176500    -2.36231200    -0.60038700     
H    -1.41728000     1.31873400    -1.02680500     
H    -2.61709400     0.22863200    -1.73070800     
H    -3.26346600     0.70212800     0.80503100     
025
G11_02758 
C    -0.08332200    -1.91905800     0.80353800     
C    -0.38700200    -0.80573600    -0.19822000     
C     0.83949000    -0.43799200    -1.05834300     
C     2.02810200     0.09837000    -0.29779800     
C     2.13797900     1.56964800    -0.06306500     
O     1.30892200     2.35580200    -0.46424200     
N     2.92112400    -0.74920500     0.07810900     
O     3.97845100    -0.18693100     0.77796100     
C    -1.66565300    -1.13255300    -1.05884100     
C    -2.41863200    -0.13430900    -0.20991300     
C    -1.16949100     0.39208500     0.45841900     
N    -3.66507200     0.05760800    -0.10002100     
O    -3.93592100     1.05989300     0.85323700     
H    -0.98443300    -2.18503500     1.36626300     
H     0.27507300    -2.82066900     0.29453100     
H     0.68395400    -1.61641500     1.52213900     
H     1.16030300    -1.33119000    -1.60432600     
H     0.54443400     0.32028800    -1.79003200     
H     3.03441400     1.90560600     0.48269100     
H     4.53916400    -0.95032900     0.95446900     
H    -1.57264300    -0.82125000    -2.10523900     
H    -2.01866100    -2.16718600    -1.03420600     
H    -1.19175000     0.42704100     1.55133300     
H    -0.86438600     1.37333500     0.08485200     
H    -4.89827400     1.09414200     0.84059100     
026
G11_03028 
C    -3.42232800    -1.00812100     0.00070600     
C    -2.09882100    -0.31884300    -0.00759100     
N    -1.90753900     0.98630500     0.00876600     
C    -0.54607800     1.16852100     0.00381900     
N    -0.00602900     2.46915700     0.07162100     
C     0.12052200    -0.03827600    -0.01141900     
N    -0.90878800    -0.97661400    -0.03328300     
C     1.59211800    -0.39327600     0.00700800     
C     1.78797200    -1.91727500     0.11930200     
C     2.27174000     0.09102200    -1.29508400     
C     2.26588800     0.28993800     1.21891300     
H    -3.55343000    -1.63915400     0.88811300     
H    -4.20794700    -0.25139100     0.00091900     
H    -3.56010600    -1.64653500    -0.88013400     
H    -0.76941800     3.13637000     0.05916500     
H     0.61126600     2.67724000    -0.70490200     
H    -0.78590500    -1.97417100    -0.05061700     
H     1.37339500    -2.44679800    -0.74675200     
H     2.85523500    -2.15584400     0.16214300     
H     1.32592800    -2.31709400     1.02857200     
H     2.20207700     1.17792300    -1.40224800     
H     3.33637800    -0.17012500    -1.29656700     
H     1.80598100    -0.36290200    -2.17541700     
H     1.86776600    -0.10809600     2.15747900     
H     3.34853300     0.11949200     1.20575300     
H     2.08066000     1.36700500     1.21083900     
025
G11_03061 
C    -3.38493800    -1.06902000     0.00002500     
C    -2.03888900    -0.42801600    -0.00005900     
N    -0.88375400    -1.04623200    -0.00007400     
C     0.10757500    -0.07447200    -0.00008300     
C    -0.50028100     1.15716800    -0.00001900     
O    -0.07446200     2.44795400     0.00002800     
N    -1.85391000     0.93486400     0.00016700     
C     1.58909300    -0.40256300     0.00000700     
C     1.78610100    -1.92795200    -0.00021200     
C     2.26265400     0.18558800    -1.26149600     
C     2.26239700     0.18523300     1.26180300     
H    -3.97394500    -0.79569400    -0.88404400     
H    -3.24938500    -2.15146700    -0.00014500     
H    -3.97368500    -0.79591700     0.88433300     
H     0.88705600     2.45026600    -0.00026900     
H    -2.55639700     1.65575500    -0.00090200     
H     1.32561100    -2.38388500    -0.87989000     
H     2.85523100    -2.16752900    -0.00008200     
H     1.32530800    -2.38416700     0.87915400     
H     2.14958900     1.27499300    -1.32413300     
H     3.33704400    -0.03028500    -1.26719700     
H     1.82251700    -0.23763800    -2.16919900     
H     1.82211600    -0.23829500     2.16929800     
H     3.33679700    -0.03059000     1.26765300     
H     2.14921700     1.27460500     1.32474500     
024
G11_03118 
C     1.87500800    -0.17293900     1.43147500     
C     1.36658400     0.03961500    -0.00129400     
C     1.99178400     1.30864400    -0.59581100     
O     1.88308200    -1.09910200    -0.74246500     
C    -0.14990600     0.03143800    -0.05032300     
C    -0.91744400    -1.12675600    -0.03796000     
N    -0.53184600    -2.47197200     0.03770600     
N    -2.23574400    -0.77988500    -0.00345600     
C    -2.35445400     0.60462500     0.02704700     
C    -1.08710100     1.12839400     0.00237300     
N    -0.76114800     2.50586400     0.10146700     
H     1.53914300     0.64891600     2.06896700     
H     1.48146400    -1.10701600     1.84074900     
H     2.96908800    -0.21537700     1.45067800     
H     3.07824300     1.18916700    -0.63276900     
H     1.63231100     1.48107900    -1.61773300     
H     1.75333900     2.18679800     0.00796300     
H     1.56639600    -0.99854600    -1.64786000     
H     0.46017100    -2.53929600    -0.16921400     
H    -1.04972400    -3.06371100    -0.60348400     
H    -2.98628500    -1.43079600     0.14397300     
H    -3.31835000     1.08592400     0.03345000     
H    -1.60436500     3.06544500     0.16046400     
H    -0.23174700     2.83406200    -0.69853200     
017
G11_03279 
C     3.28150200    -0.79945000    -0.00010200     
C     1.81519800    -0.45206100     0.00008500     
C     0.84526100    -1.41618100     0.00004600     
C    -0.51976700    -1.01345400     0.00003100     
C    -1.74443400    -1.63313400     0.00011200     
O    -2.71939400    -0.72040100    -0.00013000     
N    -2.19637900     0.56278700    -0.00012400     
C    -0.88519200     0.37726700     0.00008400     
C     0.15424400     1.35144000     0.00000500     
F    -0.16997300     2.64058400     0.00006700     
C     1.44958300     0.94290400    -0.00001100     
H     3.78694500    -0.38492200     0.87992300     
H     3.43405800    -1.88125500     0.00057700     
H     3.78656700    -0.38606300    -0.88091500     
H     1.10803100    -2.46803700     0.00007200     
H    -2.06268100    -2.66359100     0.00022200     
H     2.22827200     1.69833000    -0.00007400     
022
G11_03461 
C    -3.07736600    -1.30989000     0.01333800     
C    -2.19242300    -0.08403800    -0.05369300     
N    -2.74539700     1.06866300    -0.09435600     
N    -0.84473700    -0.40877800    -0.09466100     
C     0.28821600     0.50879000     0.05417300     
C     0.37511400     1.52479700    -1.10278600     
C     0.30183500     1.20622100     1.43030500     
C     1.53761100    -0.39101500    -0.04389000     
F     1.66047100    -0.95676200    -1.24976000     
F     2.65608500     0.30258700     0.19667000     
F     1.48682600    -1.39459600     0.85669700     
H    -4.11933400    -0.99491900    -0.00655900     
H    -2.88308900    -1.97834000    -0.83222000     
H    -2.89365200    -1.87739500     0.93336000     
H    -2.06707600     1.82529300    -0.13539800     
H    -0.64300200    -1.35318700     0.19600000     
H    -0.37479300     2.30995300    -1.00483500     
H     1.35689300     2.00501800    -1.09738900     
H     0.23048600     1.02486000    -2.06167700     
H     0.38483600     0.46760700     2.23148300     
H     1.13942100     1.90295100     1.50914700     
H    -0.62812000     1.75871800     1.57406800     
029
G11_03636 
C     1.44103000     2.08477300    -0.72617400     
C     0.88878200     0.65117000    -0.71025600     
C     1.95285500    -0.38176900    -0.36750200     
C     1.79014500    -1.81147000    -0.81643400     
N     2.95947900     0.03135800     0.30512600     
O     3.86276700    -1.00106800     0.60621600     
C    -0.36310000     0.52342500     0.20022600     
C    -0.06280200     0.76363000     1.68165300     
C    -1.59653600     1.38371400    -0.27391100     
C    -2.43945300     0.13812100    -0.13942000     
C    -1.24143800    -0.77069600     0.00854700     
N    -3.69717100     0.00697600    -0.08149700     
O    -4.05218000    -1.34520900     0.10158400     
H     0.65337900     2.79696300    -0.98962200     
H     1.85927300     2.36751200     0.24081200     
H     2.24308100     2.17548700    -1.46337000     
H     0.54608900     0.41447300    -1.72818000     
H     2.76580800    -2.24696600    -1.04046200     
H     1.33991300    -2.42406300    -0.02664200     
H     1.15053300    -1.87902100    -1.69904000     
H     4.57311300    -0.52224600     1.04582600     
H     0.32843100     1.77052600     1.85478900     
H    -0.97696900     0.65753600     2.27556100     
H     0.67307300     0.04922700     2.06137300     
H    -1.87147700     2.24203800     0.34433600     
H    -1.50837800     1.71669700    -1.31442400     
H    -1.02876200    -1.32203300    -0.91272900     
H    -1.27191800    -1.48345900     0.83684100     
H    -5.01293100    -1.29617600     0.14675600     
015
G11_03675 
C    -4.81236400    -0.50606700     0.00022300     
C    -3.38954900    -0.21478700    -0.00034500     
C    -2.20921600     0.02525200    -0.00016700     
C    -0.82152000     0.29535300    -0.00004500     
N    -0.33004800     1.54667900    -0.00002200     
N     0.99241200     1.34050400     0.00006300     
C     1.24107700     0.01879200    -0.00000100     
N     0.13879500    -0.68301200     0.00000200     
N     2.60521200    -0.47252000    -0.00000500     
O     3.47161300     0.40179200     0.00006900     
O     2.78265500    -1.67335000    -0.00000700     
H    -5.40176300     0.41662600    -0.00376400     
H    -5.09336800    -1.09054200    -0.88247500     
H    -5.09414600    -1.08337900     0.88738300     
H     1.65996400     2.09694300     0.00011100     
020
G11_03741 
C     0.91569700     2.38056100    -0.35760800     
C     0.29320000     1.04239300     0.06503300     
C    -1.17613100     0.96498500    -0.37021300     
C    -1.91675600    -0.28760500     0.06085000     
F    -1.74856000    -0.55119300     1.36346100     
F    -3.23617700    -0.15271200    -0.15571900     
F    -1.52025700    -1.37681600    -0.62505800     
N     1.03496200    -0.10285700    -0.44720400     
C     2.23855200    -0.46256400     0.10942200     
N     2.87077400    -1.51784400    -0.54119300     
O     2.72407000     0.10787900     1.07030000     
H     0.37383800     3.22211000     0.08668200     
H     1.95185000     2.41718300    -0.01697400     
H     0.89688600     2.49711800    -1.44711200     
H     0.34090100     0.97139600     1.15534000     
H    -1.71616300     1.81595000     0.05322800     
H    -1.26977000     1.03748800    -1.46009600     
H     0.79296700    -0.45913500    -1.35742500     
H     2.28125500    -2.22818900    -0.95024600     
H     3.63310700    -1.89217900     0.00392000     
019
G11_03867 
C    -3.22597700     1.30651900     0.15084000     
C    -2.98731000    -0.16450400    -0.02696000     
N    -3.72268600    -1.15028900     0.22713300     
O    -1.76959800    -0.46916500    -0.66576700     
C    -0.61006900    -0.23661500    -0.00783300     
O    -0.52385300     0.22359100     1.09759300     
C     0.56169000    -0.67440400    -0.87341900     
C     1.88507400    -0.24882500    -0.30050300     
N     2.69596400    -1.16613200     0.08233100     
O     3.87816400    -0.66985000     0.57233300     
C     2.18737700     1.15343000    -0.23573100     
N     2.39302600     2.29184500    -0.23194200     
H    -2.49134700     1.71877100     0.84690000     
H    -3.10863000     1.82375100    -0.80692200     
H    -4.23096900     1.48884200     0.53525400     
H    -4.60882300    -0.84025300     0.62532000     
H     0.54698000    -1.76553900    -0.94902500     
H     0.42132500    -0.27809100    -1.88448400     
H     4.36491600    -1.46566100     0.81865900     
023
G11_04121 
C     1.69530500    -1.59344000     0.36062800     
C     1.97878400    -0.10937900     0.06728700     
C     1.98388100     0.69255500     1.37937100     
C     3.35290800     0.01758200    -0.61527700     
C     0.92079300     0.47685500    -0.91701700     
C    -0.48886500     0.50763600    -0.45180500     
C    -1.31048900     1.48174400    -0.06218700     
O    -2.55029800     0.94967900     0.24203600     
C    -2.47575700    -0.39745300     0.02537700     
O    -3.35335900    -1.18257900     0.18289900     
O    -1.20777900    -0.68355700    -0.40558400     
H     0.73920500    -1.73399100     0.87052600     
H     1.66862000    -2.18223300    -0.56253600     
H     2.48178900    -2.00937100     0.99917400     
H     2.75001800     0.30839000     2.06051300     
H     2.20150800     1.75154300     1.19816200     
H     1.01968800     0.63112100     1.89289500     
H     3.38164400    -0.53943700    -1.55821500     
H     3.59632800     1.06328900    -0.83440000     
H     4.14251000    -0.38013700     0.03037900     
H     1.20080900     1.50899900    -1.15702100     
H     0.96168100    -0.08826000    -1.85696400     
H    -1.19166500     2.54513200     0.04442700     
024
G11_04392 
C     2.41899700     0.97605800    -0.07999200     
C     1.58553400    -0.31540800    -0.00307400     
C     1.92938500    -1.20141000    -1.22440100     
C     1.95025900    -1.07482800     1.29421200     
C     0.10851700    -0.00841700    -0.00830100     
C    -0.60306300     1.13620700    -0.02253500     
O    -0.21547300     2.43649600    -0.11104800     
N    -1.97616800     0.82943100     0.08845000     
C    -2.14265600    -0.56226300     0.02720900     
N    -3.18774300    -1.29656100    -0.05601500     
N    -0.84745900    -1.04612200     0.08030600     
H     2.19322500     1.54838000    -0.98277700     
H     2.23354400     1.62431500     0.78016500     
H     3.48401300     0.72204000    -0.09002700     
H     2.99862000    -1.43784700    -1.23171100     
H     1.38550100    -2.15192200    -1.20975200     
H     1.68447100    -0.68932300    -2.15965100     
H     1.74473500    -0.46030900     2.17594800     
H     1.37825900    -2.00205100     1.39464300     
H     3.01453500    -1.33326900     1.29684000     
H    -0.41792600     2.88658800     0.71940300     
H    -2.67533100     1.44045300    -0.30288500     
H    -4.03343500    -0.73224000    -0.06589400     
H    -0.66866600    -2.01365400    -0.12381100     
020
G11_04548 
C    -2.51066500     1.30864400    -0.98309500     
C    -1.42031300     1.04566200     0.02415400     
O    -0.77638100     1.95130300     0.51660500     
C    -1.06760100    -0.36095000     0.46073700     
C     0.21505500    -0.49821700     1.25704600     
N     1.40137600    -0.26205900     0.45034300     
C     2.17653800     0.83965500     0.35226000     
N     3.15633100     0.63892000    -0.50885500     
C     2.92393000    -0.63675400    -0.92506300     
N     1.87485700    -1.22815500    -0.37846700     
N    -1.71220000    -1.45733600     0.30001500     
O    -2.89764200    -1.34863200    -0.39848000     
H    -2.38240700     0.68211200    -1.87005400     
H    -3.48490900     1.04493500    -0.56133900     
H    -2.48748500     2.36651900    -1.24748200     
H     0.22093600     0.22919600     2.07056100     
H     0.27309800    -1.50886400     1.66075000     
H     1.97388800     1.74211000     0.90704900     
H     3.54708700    -1.14492800    -1.64597600     
H    -3.21224300    -2.26026700    -0.41599000     
028
G11_04640 
C    -2.86145700     0.92105200     0.78487400     
C    -1.73435500    -0.03992700     0.50743700     
C    -0.31895400     0.27762800     0.92043400     
C     0.56911700     0.85620700    -0.23900300     
C     0.00031600     2.18159300    -0.75512500     
C     2.02901500     0.99026400     0.24240100     
C     2.63465900    -0.41075100     0.07818200     
O     2.56307300    -1.07270200     1.34192700     
C     1.74594800    -1.08194600    -1.00281800     
N     0.73072200    -0.08202600    -1.35825300     
N    -1.90642300    -1.16092500    -0.09120000     
O    -3.25261200    -1.35471000    -0.45658300     
H    -3.42991600     1.12556200    -0.12733200     
H    -3.56892300     0.47545700     1.49347300     
H    -2.49275200     1.85971000     1.20033700     
H    -0.33993400     0.99986000     1.74413300     
H     0.16603500    -0.62510700     1.29595800     
H    -0.05920900     2.92762000     0.04512000     
H     0.63537100     2.57295500    -1.55428400     
H    -1.00557900     2.04998600    -1.16675900     
H     2.55440200     1.69798300    -0.40574600     
H     2.12088300     1.33493100     1.27486000     
H     3.68305700    -0.35776000    -0.24374100     
H     2.83643100    -1.98668300     1.21366000     
H     2.32316600    -1.36333400    -1.89225200     
H     1.31850800    -2.00418500    -0.57985700     
H    -0.15296800    -0.52272800    -1.59372100     
H    -3.22809400    -2.22902500    -0.85871200     
017
G11_04949 
C    -2.75357700    -2.28704100    -0.00117100     
C    -2.18455700    -1.22685000    -0.00078600     
C    -1.50224200     0.00608500    -0.00023200     
C    -0.15210900     0.26011600    -0.00126000     
O     0.02532500     1.57574100    -0.00007300     
N    -1.30116000     2.17159500     0.00177600     
N    -2.13287200     1.24128500     0.00163200     
C     1.02197200    -0.63510600    -0.00283700     
C     2.15570400    -0.36949200    -1.03420100     
O     3.15105500    -0.33003700     0.00221800     
C     2.15204700    -0.37745800     1.03472300     
H    -3.26342200    -3.21897400    -0.00178800     
H     0.67319500    -1.66796200    -0.00722600     
H     2.33781800    -1.17106500    -1.75736900     
H     2.06511600     0.58871700    -1.55956600     
H     2.05957400     0.57663000     1.56723600     
H     2.33147300    -1.18465800     1.75228000     
019
G11_04969 
C     4.46105600    -0.34811000     0.24867000     
C     3.27447700    -0.19737800     0.11854700     
C     1.88476600    -0.03059300    -0.03577500     
C     0.88356000    -0.89125400    -0.38007700     
C    -0.28924400    -0.08601200    -0.35088800     
N    -0.00193900     1.15314500    -0.02008900     
O     1.36671200     1.20261200     0.18248600     
C    -1.70643300    -0.49266700    -0.63810900     
C    -2.44944100    -1.12849600     0.58014200     
C    -3.15545800     0.24065400     0.72830800     
N    -2.70112300     0.60129000    -0.63913300     
H     5.50910200    -0.47841100     0.36407600     
H     0.97406200    -1.93729000    -0.61961900     
H    -1.71330100    -1.09498000    -1.55540300     
H    -3.12213700    -1.93237200     0.27743600     
H    -1.82887400    -1.46505900     1.41108900     
H    -4.24342300     0.22810800     0.84788200     
H    -2.71830500     0.85616900     1.52402300     
H    -2.28908500     1.52503900    -0.71972300     
019
G12_00406 
C    -3.71577300    -0.31337300     0.57126400     
C    -2.51653900     0.00596900    -0.28580100     
O    -2.55668800     0.62325700    -1.32178000     
C    -1.18397700    -0.64053000     0.16981100     
O    -1.19191800    -1.79025500     0.54866500     
C     0.05430300     0.18293300     0.06565300     
N    -0.14772400     1.46908100     0.14460000     
N     0.90811500     2.26671200     0.16666100     
N     2.20882900     1.90796500     0.22708400     
C     2.45088700     0.64191900     0.14187700     
C     1.40811900    -0.37121700    -0.02131400     
N     1.60553000    -1.62966400    -0.22681600     
O     2.97430900    -1.91771100    -0.28526400     
H    -4.62671100     0.03045600     0.08056200     
H    -3.75488400    -1.38872700     0.76438800     
H    -3.61093500     0.18098200     1.54479000     
H     0.72043700     3.25021200     0.27179700     
H     3.48851200     0.34238100     0.20043600     
H     2.97258900    -2.87049000    -0.42458200     
029
G12_00437 
C    -0.95891800     2.64415700    -0.00507100     
C    -1.22358200     1.17618400    -0.09521800     
C    -0.37567300     0.16975800    -0.48247100     
C     1.04152400     0.15307600    -0.95638800     
C     2.13901300    -0.26149500     0.07330000     
C     1.89632700    -1.69305000     0.58304300     
C     3.50077200    -0.20559000    -0.64141100     
C     2.14323100     0.71289000     1.26245100     
N    -1.15423000    -0.99118300    -0.40415500     
C    -2.39390000    -0.62166900     0.02115400     
N    -3.39435700    -1.55750300     0.28535700     
N    -2.48124300     0.67140100     0.21055400     
H    -1.00188400     2.99461000     1.03282500     
H     0.02641600     2.90132100    -0.40294500     
H    -1.71290500     3.20906300    -0.56379000     
H     1.12717800    -0.51097800    -1.82898200     
H     1.28708900     1.15687800    -1.32148100     
H     1.86347200    -2.41125100    -0.24613300     
H     2.70279200    -2.00790600     1.25405000     
H     0.95823200    -1.76674100     1.14140100     
H     3.70630700     0.80003600    -1.02487400     
H     4.31365500    -0.47368600     0.04211300     
H     3.53585700    -0.89965900    -1.48905200     
H     1.17186000     0.72558900     1.76533200     
H     2.90427900     0.42770300     1.99695100     
H     2.36410400     1.73484600     0.93459000     
H    -0.82560900    -1.93260200    -0.53350500     
H    -3.57897000    -2.18160000    -0.49189100     
H    -4.24583200    -1.07019800     0.53675800     
028
G12_00489 
C     1.55417000    -2.06162400    -0.54023700     
C     2.17141800    -0.72251800    -0.09008100     
C     2.76055900    -0.82951200     1.33154900     
O     3.19709100    -0.35395900    -1.00217300     
C     1.12183600     0.38868700    -0.11070100     
N     1.42400200     1.44727500    -0.75565000     
O     0.39657100     2.42578100    -0.68920200     
C    -0.17623800     0.19242000     0.67455500     
O    -0.39457600     1.24853100     1.59473700     
C    -1.38057100    -0.02603500    -0.26846200     
C    -2.67545800    -0.27137800     0.52298100     
C    -3.89264600    -0.23981700    -0.36762800     
O    -4.70827200    -1.12054000    -0.46372000     
H     0.73686900    -2.39462600     0.10542900     
H     1.18666300    -1.97915000    -1.56628900     
H     2.32467200    -2.84039600    -0.51502200     
H     3.49631500    -1.64162500     1.36396100     
H     3.26065800     0.10596900     1.59267800     
H     2.00044900    -1.04288500     2.08770200     
H     3.88074000    -1.02980800    -0.94437100     
H     0.79178000     3.16100200    -1.16884300     
H    -0.07426000    -0.70070600     1.29845700     
H    -0.31392800     2.06784200     1.08747200     
H    -1.48778800     0.85537000    -0.90854100     
H    -1.17540800    -0.87750400    -0.92716900     
H    -2.65347300    -1.22662700     1.05634600     
H    -2.77336100     0.53396100     1.26356200     
H    -3.99287600     0.69841400    -0.96482100     
022
G12_00506 
C    -1.60719800    -1.50119900    -0.77218200     
C    -1.29832200    -0.03325500    -0.38437900     
C    -2.09519200     0.89229600    -1.33873900     
C    -1.78717600     0.19099700     0.98939200     
N    -2.20202400     0.37761900     2.05181700     
C     0.22365000     0.33607700    -0.47199300     
C     0.56572900     1.68431800     0.21600300     
O     1.69091800     2.31542500    -0.35477300     
C     1.14787900    -0.75919400     0.06060100     
F     1.20976900    -1.82216500    -0.75384100     
F     2.41790500    -0.30686200     0.18718300     
F     0.77373300    -1.19603700     1.27104100     
H    -1.22782400    -1.70958900    -1.77558200     
H    -1.16296500    -2.21231600    -0.07650100     
H    -2.68937100    -1.65278800    -0.77158800     
H    -3.16541600     0.69370900    -1.24540600     
H    -1.93045200     1.95067800    -1.13007700     
H    -1.79533100     0.69084800    -2.37134200     
H     0.47056500     0.44572200    -1.53284900     
H    -0.26600400     2.37864600     0.08491600     
H     0.68025400     1.52615300     1.29695200     
H     2.46449300     1.78752700    -0.13471800     
021
G12_00598 
C     3.96917600    -1.05862300     0.33486900     
C     2.93088700    -0.46385800     0.19339300     
C     1.71934700     0.24090900     0.02732300     
C     0.45302300    -0.26932000    -0.23544700     
C    -0.29153600    -1.54501900    -0.47723400     
C    -1.76442900    -1.05871900    -0.48652600     
N    -2.36752100    -0.94672600     0.86395600     
C    -2.69078100     0.48714200     0.66291000     
C    -1.76355500     0.50202700    -0.57451900     
N    -0.37421300     0.79622300    -0.31315800     
N     0.23141900     1.98272500    -0.12232300     
C     1.50248900     1.65060700     0.08381400     
H     4.88336000    -1.58255700     0.46173000     
H    -0.00196000    -2.00829500    -1.42764400     
H    -0.13933300    -2.28181400     0.31648400     
H    -2.38053900    -1.57041900    -1.23233400     
H    -3.16004600    -1.55285900     1.03789800     
H    -3.73209600     0.69163500     0.38290100     
H    -2.40614300     1.14031800     1.49291800     
H    -2.12120100     1.01181400    -1.46930500     
H     2.24243900     2.41574500     0.26652200     
014
G12_00706 
F    -3.45323500     1.07724500    -0.27901200     
C    -2.85498400    -0.08478100    -0.00015600     
F    -3.29817500    -0.50107500     1.19139800     
F    -3.24158400    -0.98050600    -0.91489300     
C    -1.39797800     0.06732100     0.00043000     
C    -0.20284800     0.19817900     0.00144700     
C     1.19684400     0.32389500     0.00113500     
N     1.87652100     1.42261100     0.00046700     
N     3.16954000     1.00567000    -0.00007600     
C     3.29642100    -0.36850800     0.00002900     
N     4.35641600    -1.04670200    -0.00060000     
O     1.97498100    -0.80908500     0.00104400     
H     3.92409600     1.66911300    -0.00130200     
H     4.17092700    -2.04509600    -0.00032900     
027
G12_01376 
C    -3.02110000    -1.30970800     1.01575700     
C    -2.39944900    -0.57337200    -0.14071800     
C    -1.09759700    -1.05570000    -0.73066700     
C     0.12794400    -0.62930300     0.10671000     
C     1.41760900    -1.28327900    -0.38973000     
C     2.62196400    -0.68303500     0.32480600     
O     3.77366200    -1.39030500    -0.11225200     
C     2.70922500     0.81154200     0.00940600     
C     1.39090600     1.57480400     0.13059500     
O     1.35873700     2.78788900     0.21987800     
N     0.25048300     0.82265800     0.07421900     
N    -2.89942600     0.47982100    -0.67038700     
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H    -0.98647900    -0.65597300    -1.74201000     
H    -0.03888300    -0.96107100     1.14549100     
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H    -0.60676900     1.35925800     0.10910000     
H    -4.34005700     1.65106300    -0.54003900     
019
G12_01429 
C    -4.04810900     0.16528100    -0.98456500     
C    -2.87440400    -0.17884400    -0.19687700     
C    -1.90432400    -0.45813500     0.45703100     
C    -0.73680500    -0.80134300     1.25785200     
N     0.50589900    -0.85332700     0.47178000     
N     0.99096000    -2.05169900     0.12892800     
C     2.06622200    -1.81241500    -0.62959200     
C     2.28563300    -0.44096800    -0.79757200     
C     1.26074600     0.14152600    -0.07699100     
N     1.01945000     1.54285900     0.11459300     
O     1.74956900     2.31097000    -0.49942400     
O     0.11635900     1.87990500     0.87661400     
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H    -4.00620400    -0.29520700    -1.97737500     
H    -0.59988600    -0.08342800     2.06794500     
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H     2.63757000    -2.64115500    -1.01905700     
H     3.05858400     0.07652300    -1.33843000     
017
G12_01618 
C     1.62505500     2.22168400    -0.00003200     
C     1.27410100     0.77929300     0.00002600     
C     2.05660800    -0.38867700     0.00005600     
O     3.39745000    -0.38364200     0.00001300     
N     1.33735400    -1.51776400     0.00005900     
C     0.06302200    -1.10291000     0.00001700     
C    -1.16657100    -1.75091200    -0.00004400     
N    -2.30973900    -1.07497200    -0.00002500     
C    -2.19887000     0.25516100    -0.00002100     
F    -3.33752400     0.91874400     0.00001900     
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N     0.00654600     0.29856800     0.00002100     
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H     3.68269700    -1.30677300    -0.00050400     
H    -1.21062800    -2.83557300    -0.00000400     
021
G12_01821 
C    -3.82326800    -1.20240500    -0.13562200     
C    -2.82270200    -0.53632500    -0.07140200     
C    -1.63940200     0.22209500     0.00662300     
C    -0.34013700    -0.13259600     0.23949800     
C     0.25301800    -1.48694100     0.47723000     
O     1.34573200    -1.77146500    -0.37823800     
C     2.56832100    -1.13984900    -0.03448900     
C     2.68584700     0.32927400    -0.46335300     
C     1.83102000     1.32046400     0.34706300     
C     0.35845800     1.10863000     0.17556400     
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H    -4.70909800    -1.78576800    -0.19550800     
H     0.56834700    -1.58535200     1.52998800     
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H     2.74675800    -1.22972400     1.05104200     
H     3.34383700    -1.72098400    -0.54377900     
H     3.73883500     0.61761400    -0.35860500     
H     2.43745200     0.40483600    -1.52788900     
H     2.08355200     1.22067900     1.41222800     
H     2.06677500     2.34992900     0.06383000     
026
G12_02221 
C     3.38622300    -0.45896800    -0.01642900     
N     2.03744600     0.06037900     0.01344200     
C     1.69356100     1.40259500     0.05000500     
C     0.32578100     1.48221100     0.01218800     
O    -0.34485200     2.67709900     0.08420900     
C    -0.20950000     0.15022900    -0.03391400     
C     0.89880200    -0.69365100    -0.02560700     
N     0.97911400    -2.09480400    -0.13104200     
C    -1.64076300    -0.34710200    -0.00436900     
C    -2.01438500    -0.90583300     1.37651500     
C    -2.66792300     0.71639300    -0.42405900     
O    -1.78128500    -1.47933700    -0.90158700     
H     3.37363300    -1.43999100    -0.49593000     
H     4.02623900     0.21295300    -0.59414700     
H     3.81222800    -0.56275000     0.98971700     
H     2.43932600     2.17730100     0.09814200     
H    -1.17237400     2.59717700    -0.39581600     
H     0.05963700    -2.45749400    -0.36349200     
H     1.30538800    -2.53894700     0.72196600     
H    -1.97408400    -0.11254300     2.12737000     
H    -3.02399300    -1.32896000     1.35928800     
H    -1.31442700    -1.69129000     1.67133100     
H    -2.42614900     1.13375600    -1.40970400     
H    -3.65564600     0.25314700    -0.49526400     
H    -2.72811400     1.52977700     0.30591400     
H    -1.45926900    -1.18849500    -1.76313100     
019
G12_02370 
C     3.09807600     0.82611100    -0.00116400     
C     2.43157400    -0.52497400    -0.00005600     
N     3.15742700    -1.57095200    -0.00038900     
N     1.03130100    -0.57328400     0.00151900     
C     0.07717900     0.39913800     0.00073500     
C    -1.31463200     0.20478200     0.00013700     
C    -1.89008100     1.49716900    -0.00018100     
N    -0.96296800     2.42779400    -0.00000700     
N     0.22706600     1.74100000     0.00061800     
N    -1.98014500    -1.03767500    -0.00021600     
O    -3.20503100    -1.04101400    -0.00099000     
O    -1.28249500    -2.07008500     0.00025800     
H     4.17483600     0.66566300    -0.00223500     
H     2.83293500     1.40435200    -0.89365500     
H     2.83482700     1.40481900     0.89160600     
H     2.60233100    -2.42909300     0.00047900     
H     0.59078100    -1.49243300     0.00158700     
H    -2.93889900     1.74689700    -0.00065600     
H     1.08191400     2.26706200     0.00123000     
017
G12_02417 
C    -4.00103100     0.23369600    -0.95645800     
C    -2.85407400    -0.24800200    -0.20133400     
C    -1.91155100    -0.64421600     0.43241500     
C    -0.75497200    -1.12348000     1.18451900     
C     0.51871300    -0.98338600     0.39863600     
N     1.18799000    -2.01680600    -0.03404400     
O     2.26984100    -1.51169300    -0.72412900     
N     2.27528700    -0.16381600    -0.73163000     
C     1.21805900     0.17547700    -0.05118000     
N     0.90359100     1.57437200     0.19592300     
O     1.46555000     2.41364200    -0.48077200     
O     0.08959300     1.77726400     1.08890800     
H    -4.89539300    -0.35827300    -0.73462200     
H    -4.22283800     1.27872000    -0.71570900     
H    -3.81920100     0.16979700    -2.03457000     
H    -0.65356900    -0.55939000     2.11777800     
H    -0.86781900    -2.18133000     1.44373300     
032
G12_02510 
C     2.36183100     1.90006200     0.24871100     
C     2.28188500     0.57019600    -0.52366000     
C     3.66986100    -0.09249600    -0.51918100     
C     1.14852900    -0.38427400    -0.01250800     
C     1.13051900    -1.66956800    -0.85812200     
N     1.44783600    -0.78748300     1.37324100     
C    -0.22356100     0.35831000    -0.14538900     
C    -1.49744500    -0.49623400    -0.02128100     
N    -1.58574700    -1.14169800     1.30374500     
C    -2.77286700     0.27846300    -0.36008600     
N    -2.95680100     1.46442000     0.33891600     
N    -3.61443800    -0.26808200    -1.15145200     
H     1.42265300     2.45943900     0.23763100     
H     2.65305500     1.74277200     1.29374700     
H     3.12600400     2.54436300    -0.19754400     
H     2.02560000     0.81452600    -1.56410400     
H     3.89315500    -0.50116900     0.47010000     
H     3.74533700    -0.90517100    -1.24536900     
H     4.44101000     0.64220100    -0.77347600     
H     2.08811000    -2.18620100    -0.78990800     
H     0.36797900    -2.36316100    -0.49459300     
H     0.92049100    -1.45255300    -1.91117200     
H     1.46561900     0.03343400     1.97281000     
H     0.66589200    -1.34924300     1.70446800     
H    -0.24339600     1.14297600     0.62309700     
H    -0.26599400     0.86985700    -1.11644500     
H    -1.47013200    -1.29477900    -0.76363000     
H    -1.78196200    -0.43638500     2.01042700     
H    -2.38727000    -1.76742000     1.30659100     
H    -2.12861600     1.98687900     0.58162000     
H    -3.71647200     2.05062300     0.02466400     
H    -4.44951400     0.31215800    -1.27097100     
022
G12_03424 
C    -2.21434700    -0.04367900     1.61336700     
C    -2.06102000    -0.07886500     0.07887600     
C    -3.07757300    -1.02837300    -0.55286500     
O    -2.30118300     1.20027200    -0.48952400     
C    -0.63147400    -0.56969700    -0.24891300     
O    -0.38104300    -1.72232100    -0.52970200     
C     0.53874200     0.37472900    -0.17943400     
N     0.38463400     1.58447600     0.20661700     
O     1.57424300     2.27937100     0.27698200     
C     1.88813900    -0.21264000    -0.58430800     
O     2.30442900    -0.08328300    -1.70950000     
C     2.59400500    -0.90743200     0.46550700     
C     3.16136500    -1.47179400     1.36456700     
H    -2.06761500    -1.03638000     2.04984200     
H    -1.49402600     0.64298400     2.06725200     
H    -3.22282100     0.30273100     1.85616200     
H    -4.08501500    -0.70337200    -0.28124100     
H    -2.98712000    -1.00619400    -1.64139800     
H    -2.92010900    -2.05251000    -0.21252700     
H    -1.65294000     1.81187200    -0.11741100     
H     1.30520800     3.16207000     0.55936500     
H     3.67341700    -1.97835600     2.14680200     
021
G12_03469 
C    -1.15985300    -1.88447000    -0.60835500     
C    -1.17547600    -0.35525600    -0.36968300     
C    -2.19081700     0.28365100    -1.34935800     
C    -1.61077500    -0.08445300     1.00392800     
C    -2.02654800     0.11487800     2.11322300     
C     0.23190800     0.29868300    -0.65734000     
C     0.22925200     1.73737500    -0.40767200     
C     0.21965400     2.92073900    -0.20645500     
C     1.42324100    -0.34798500     0.07648200     
F     1.65740500    -1.58802300    -0.38805400     
F     2.54092700     0.35893800    -0.13223800     
F     1.23549900    -0.43776400     1.39378800     
H    -0.78431100    -2.11448000    -1.61033000     
H    -0.54392600    -2.40895000     0.12163600     
H    -2.18127700    -2.26446900    -0.52756400     
H    -3.18810100    -0.12021200    -1.16039800     
H    -2.22750500     1.36748900    -1.22826000     
H    -1.91466000     0.05288200    -2.38399200     
H    -2.36962900     0.29800600     3.10147300     
H     0.44462500     0.12553300    -1.72022400     
H     0.21678100     3.96686400    -0.02241400     
024
G12_03650 
C    -2.06295800    -1.16901900    -1.13377400     
C    -1.97086900    -0.13581500     0.00209800     
C    -2.41492500     1.25197400    -0.50415700     
C    -2.87997900    -0.57829300     1.15923800     
N    -0.59817000    -0.14656300     0.55475300     
C     0.50729100     0.29852200    -0.28293300     
C     0.86866700     1.71166800    -0.12622600     
C     1.13549200     2.86898300     0.05596200     
C     1.72718900    -0.59715300     0.00844700     
F     1.45337000    -1.87119400    -0.28614700     
F     2.78341700    -0.22591500    -0.72799600     
F     2.08065700    -0.53519300     1.29694400     
H    -1.49932000    -0.86208200    -2.02101300     
H    -1.67552300    -2.13560100    -0.80159200     
H    -3.10405500    -1.29321600    -1.44665900     
H    -3.44235500     1.21604900    -0.88184200     
H    -2.37507200     1.99315700     0.30057500     
H    -1.77517000     1.60895500    -1.31696100     
H    -2.58153400    -1.56355100     1.52767200     
H    -2.82470600     0.13014200     1.99410500     
H    -3.92317000    -0.62612300     0.83411700     
H    -0.57115200     0.34930800     1.43789900     
H     0.26413000     0.10217400    -1.33176500     
H     1.37867400     3.89224500     0.20506400     
023
G12_03774 
C    -1.65665200     1.66753100    -0.87040900     
C    -1.06446100     0.50053700    -0.05478400     
O    -1.19035600     0.75961300     1.34063200     
C    -1.86638700    -0.78013400    -0.36824900     
O    -3.20225100    -0.51084100     0.06256400     
C     0.46033100     0.39527300    -0.34600600     
C     1.25939000     1.49433400     0.40468700     
O     2.45899300     1.84682100    -0.25556100     
C     1.07292100    -0.96866500    -0.04837500     
F     0.65096100    -1.91624700    -0.90678400     
F     2.42388400    -0.93560100    -0.16889300     
F     0.81314200    -1.40578700     1.18954200     
H    -1.15402000     2.60779800    -0.63572100     
H    -1.56313500     1.48299000    -1.94573100     
H    -2.71738400     1.77586600    -0.63605200     
H    -2.12192800     0.60616200     1.54588600     
H    -1.83516600    -1.01259600    -1.44120000     
H    -1.45665600    -1.62619600     0.18908100     
H    -3.66111700    -1.34834400     0.16749700     
H     0.62054200     0.55644200    -1.41656300     
H     0.66132500     2.40399600     0.45340300     
H     1.43248700     1.17283300     1.43918900     
H     3.04123200     1.08177800    -0.22683300     
026
G12_03922 
C    -1.22174500    -0.77053600     1.38900300     
C    -1.14528200    -0.20745800    -0.04595100     
C    -1.58140000    -1.28447700    -1.06486300     
C    -2.15659400     0.95858300    -0.16008800     
O    -3.46817900     0.43462300    -0.00497500     
C     0.29269200     0.32211100    -0.41025000     
C     0.60248300     1.73169000     0.14975200     
N     1.96885700     2.16910000    -0.14022400     
C     1.42820000    -0.64499200    -0.02252700     
F     1.10497800    -1.94618000    -0.18535000     
F     2.51590200    -0.44655500    -0.78135200     
F     1.78993300    -0.50673500     1.26169700     
H    -0.64822800    -1.69313800     1.48915900     
H    -0.84178400    -0.05647200     2.12658900     
H    -2.26490400    -0.98229000     1.63294800     
H    -2.59633500    -1.61687800    -0.84179600     
H    -1.58486800    -0.87341400    -2.08148600     
H    -0.91861900    -2.14761800    -1.05034700     
H    -1.95990700     1.71129600     0.61480400     
H    -2.04844900     1.44818000    -1.14248900     
H    -4.07967200     1.17374500     0.05091100     
H     0.34539900     0.38121200    -1.50519800     
H    -0.15748900     2.41951400    -0.24689700     
H     0.48548900     1.71847500     1.23862200     
H     2.12224900     2.21200500    -1.14328300     
H     2.10310500     3.11040600     0.21440400     
022
G12_03976 
C    -3.22960900    -2.04270300     0.06132800     
C    -2.54600800    -1.05070100     0.02586200     
C    -1.74525200     0.11121200    -0.01401000     
C    -0.35740900     0.17903000     0.09483700     
N    -0.04801500     1.49384000     0.00060300     
N    -1.12207800     2.29827000    -0.15163800     
C    -2.15199600     1.46655000    -0.16494100     
C     0.67172500    -0.89297200     0.26592200     
C     1.52692900    -1.12264800    -1.01636300     
C     2.76997700    -0.22203200    -0.79076800     
O     2.59843100     0.40240800     0.48749900     
C     1.77027800    -0.46555300     1.25563500     
H    -3.83725500    -2.91248700     0.09117400     
H     0.88079500     1.88096300     0.07848900     
H    -3.15763800     1.84244600    -0.27822300     
H     0.16275800    -1.80873200     0.57251600     
H     1.81635600    -2.17378900    -1.08972600     
H     0.97776000    -0.86355600    -1.92269900     
H     3.69436000    -0.81504700    -0.79392700     
H     2.87225000     0.57381100    -1.53305600     
H     1.40425700     0.09235000     2.11979000     
H     2.33774800    -1.34108300     1.60790300     
025
G12_04246 
C    -2.55915000    -2.20060800    -0.00005400     
C    -1.73272500    -0.95376900     0.00002300     
N    -2.31671700     0.20072800    -0.00005800     
C    -1.52318100     1.33414800    -0.00003100     
N    -1.89519400     2.54011900     0.00016700     
O    -0.13042500     1.14292700    -0.00033900     
C     0.36678600    -0.10140100    -0.00004000     
N    -0.35616400    -1.16591700     0.00016400     
C     1.88230400    -0.11949000     0.00000000     
C     2.39616700    -1.56610700    -0.00013000     
C     2.37813600     0.62213900    -1.26375100     
C     2.37793200     0.62183200     1.26402700     
H    -2.30994900    -2.80679300     0.87743700     
H    -3.62152800    -1.95961400    -0.00006500     
H    -2.30994200    -2.80666500    -0.87763700     
H    -2.91399000     2.55747500     0.00029000     
H     2.05137500    -2.11162400    -0.88162500     
H     3.49053000    -1.56138900    -0.00005800     
H     2.05124700    -2.11183300     0.88118100     
H     2.01605000     1.65215300    -1.28924600     
H     3.47207900     0.63911800    -1.26895200     
H     2.04454200     0.11532900    -2.17488500     
H     2.04422000     0.11476900     2.17497600     
H     3.47187500     0.63885500     1.26939200     
H     2.01580000     1.65182700     1.28972600     
033
G13_00030 
C    -2.86520300     0.02671000     1.06375300     
C    -2.02761400    -0.05648300    -0.22676700     
C    -2.90613400    -0.61458500    -1.36296100     
C    -1.61364600     1.37289600    -0.64731900     
N    -0.65487500     2.03635300     0.23766000     
C     0.73721000     1.74051000    -0.08938300     
C     1.29659500     0.49376600     0.64040100     
C     0.21464000    -0.52438800     1.04655400     
C    -0.77973200    -0.98194500    -0.04895600     
N    -1.23404700    -2.37219400     0.16458300     
N     2.27493300    -0.14555500    -0.22808300     
C     3.49453700    -0.11116500     0.11729100     
N     4.51198200    -0.60127300    -0.67113800     
H    -2.34829300     0.59220200     1.84307500     
H    -3.81243200     0.53940200     0.86176900     
H    -3.11672000    -0.96509500     1.45260500     
H    -3.75094700     0.05500100    -1.56228700     
H    -2.33174000    -0.71374600    -2.29125200     
H    -3.29172400    -1.60227800    -1.10786900     
H    -1.23120700     1.33517900    -1.68442600     
H    -2.52549000     1.98154000    -0.67170900     
H    -0.80289800     3.03577600     0.19233700     
H     0.87264400     1.57650400    -1.17181200     
H     1.35556100     2.60444700     0.17646400     
H     1.77328400     0.83100800     1.57828000     
H     0.75065100    -1.41348000     1.39902500     
H    -0.33176400    -0.12875200     1.90703400     
H    -0.24425000    -0.98842700    -1.00650500     
H    -0.43708300    -2.99300700     0.05457700     
H    -1.52846500    -2.48558800     1.13175200     
H     3.85218800     0.35399600     1.04847300     
H     5.34693300    -0.90875300    -0.19835700     
H     4.21188000    -1.19915200    -1.42799900     
021
G13_00325 
C    -3.80916400     2.16545500    -0.01993600     
C    -3.04596300     1.23406000    -0.01744100     
C    -2.14831000     0.15857800    -0.01307100     
C    -0.79292900     0.03627400     0.05809700     
O     0.30326200     0.81205800     0.14657900     
C     1.44109700    -0.09822700     0.36292600     
C     0.94512600    -1.55858800     0.06073200     
C    -0.53558200    -1.34412400     0.01732600     
N    -1.62340400    -2.05760100    -0.07463100     
O    -2.65620000    -1.12512900    -0.09624700     
C     2.58975800     0.36385800    -0.48658200     
C     3.51072300     1.41033500     0.01641900     
N     3.96556400     0.01427000    -0.09597600     
H    -4.48179800     2.98735900    -0.02252500     
H     1.70848300    -0.00808200     1.42401900     
H     1.33091600    -1.91490600    -0.90018800     
H     1.27037500    -2.25973600     0.83200300     
H     2.40647300     0.29777800    -1.55723900     
H     3.97322100     2.09965300    -0.68299000     
H     3.32062300     1.82268700     1.00397900     
H     3.97155200    -0.42259700     0.82372300     
024
G13_00561 
C     2.12998000     2.49965800     0.57212500     
C     1.00931800     1.54175300     0.27372700     
O     0.81516400     1.15493400    -1.08997000     
C     1.22680800     0.13861200    -0.16108900     
C     2.57142500    -0.36211600    -0.32121100     
C     3.68915500    -0.78236700    -0.45807100     
C     0.16477500    -0.91500200     0.13004600     
C     0.38905700    -2.31656600    -0.28867900     
O     0.58023900    -1.92373300     1.06671300     
C    -1.18860500    -0.43549900     0.27016000     
C    -2.32136700    -0.04112400     0.39405700     
C    -3.71101400     0.42271100     0.47681000     
N    -4.46960400     0.38480300    -0.78147300     
H     3.04477700     2.21290900     0.05068900     
H     1.84880400     3.51073700     0.26029200     
H     2.32864900     2.52153700     1.64864400     
H     0.07450700     1.72459600     0.80386400     
H     4.67924200    -1.14893300    -0.57610600     
H    -0.47979800    -2.94380700    -0.47724000     
H     1.29528500    -2.56520000    -0.83594500     
H    -4.24841700    -0.17936100     1.21923500     
H    -3.72982700     1.45195000     0.85447100     
H    -3.97887500     0.93837200    -1.47878300     
H    -4.46754400    -0.56638800    -1.14000000     
025
G13_00633 
N    -0.88261500     2.64899500     0.04013000     
C    -0.18651000     1.52110300    -0.57882700     
C     1.29155600     1.66602100    -0.29575000     
O     1.68539300     1.36167700     1.04655400     
C     2.10043000     0.48041500    -0.01195000     
C     1.45922100    -0.86721500    -0.04105700     
C     2.15138900    -1.95584500    -0.84668900     
C     2.17508600    -2.00897700     0.65370200     
N     0.03791400    -0.92903000    -0.00435600     
C    -0.67512100     0.10948200    -0.20024100     
N    -2.05862500     0.00240900    -0.14143400     
C    -2.77382900    -1.14526100     0.12705600     
N    -4.04481600    -1.10143300     0.19946600     
H    -1.81977100     2.79044000    -0.31585200     
H    -0.92459200     2.54146800     1.04791000     
H    -0.32200700     1.62151300    -1.66546600     
H     1.74641200     2.56306300    -0.71271800     
H     3.17052600     0.50805400    -0.21735700     
H     1.50068700    -2.64415300    -1.37172600     
H     3.06301100    -1.69515900    -1.37440700     
H     3.10383500    -1.78687400     1.16752200     
H     1.53802500    -2.73381500     1.14528900     
H    -2.60979200     0.84236500    -0.22243000     
H    -2.13017400    -2.01702500     0.25374300     
H    -4.41565000    -2.02821100     0.39895100     
021
G13_00930 
C    -4.15584700     0.79067400     0.28491900     
C    -3.07280900     0.27981400     0.15750400     
C    -1.80716900    -0.30412400     0.00873200     
C    -0.55243400     0.23789600    -0.13336100     
O    -0.30154600     1.55836500    -0.14022700     
C     1.03166900     1.99668600    -0.42190200     
C     2.08463900     1.34331600     0.46961800     
N     2.66838400     0.15700200    -0.15826700     
C     2.75955600    -1.05053800     0.65206200     
C     1.77913600    -0.96302900    -0.47199500     
C     0.31293900    -0.89535700    -0.22918000     
N    -0.38218800    -2.01304100    -0.16210700     
O    -1.70067000    -1.65976500    -0.01190300     
H    -5.11115500     1.24083900     0.39724600     
H     1.27215400     1.81972200    -1.47840900     
H     0.99409900     3.07383600    -0.25003800     
H     2.90157400     2.05198600     0.64350900     
H     1.62446100     1.13675500     1.44943900     
H     3.66207600    -1.64311100     0.53489300     
H     2.35701700    -1.01658900     1.66276600     
H     2.03604600    -1.47199300    -1.39813800     
020
G13_00963 
C     4.54130100     0.37138900     0.05947700     
C     3.37297500     0.08123900     0.03244200     
C     2.01078900    -0.24224700     0.00126500     
C     0.84914700     0.47178900    -0.00336100     
O     0.42886200     1.74908100     0.02655900     
C    -1.02301000     1.69647700    -0.13369200     
C    -1.50020600     0.21003500    -0.03007700     
C    -2.52690000    -0.15567500     1.07994000     
O    -3.53825200    -0.47368700     0.11030800     
C    -2.63731400    -0.23986200    -0.98464400     
C    -0.17997800    -0.48164700    -0.04625500     
N     0.26777900    -1.70817100    -0.06617200     
O     1.65009900    -1.57806200    -0.03642400     
H     5.57167100     0.62818900     0.08257500     
H    -1.45839600     2.33448700     0.63877000     
H    -1.25995100     2.11524000    -1.11737700     
H    -2.24454700    -1.02263800     1.68820800     
H    -2.82417200     0.67259300     1.73566600     
H    -3.00663600     0.53489800    -1.66895600     
H    -2.41892500    -1.15320700    -1.54979300     
026
G13_00977 
C    -0.47489900     3.10224200    -0.17124900     
N    -0.67661900     1.71307000     0.23298700     
C    -0.00991600     0.74328100    -0.61211700     
C     1.54484100     0.67177200    -0.47097500     
O     1.88377000     0.66975900     0.91975100     
C     1.94643900    -0.67650000     1.40170000     
C     1.94974100    -1.56916600     0.17548400     
C     1.93844100    -0.69311800    -1.03503000     
C     0.73103700    -1.57140600    -0.75263800     
C    -0.44051000    -0.71401100    -0.42582200     
C    -1.64376700    -1.21815700    -0.09972100     
C    -2.88973800    -0.47748000     0.14648800     
O    -3.93492600    -1.04315900     0.40254500     
H    -1.00252900     3.75775800     0.52692600     
H     0.57857500     3.42442500    -0.20756300     
H    -0.90873600     3.25807300    -1.16526900     
H    -0.33492500     1.58377600     1.18083400     
H    -0.22542900     1.00187100    -1.66059500     
H     2.05166800     1.51946900    -0.93501900     
H     2.87072600    -0.79551400     1.97901300     
H     1.09687400    -0.87968000     2.06747500     
H     2.53409100    -2.48134700     0.19677400     
H     2.59430000    -0.80926300    -1.88738500     
H     0.55896900    -2.49173500    -1.29879900     
H    -1.75717800    -2.29887300    -0.02879400     
H    -2.82084500     0.62201800     0.08641500     
035
G13_01238 
C     4.57981900    -0.58664200     0.11039400     
C     3.46055000     0.40968300     0.00553700     
N     3.67687200     1.65646000    -0.07621000     
O     2.26110600    -0.23912300     0.01654400     
C     1.07290100     0.53541600    -0.07136600     
C    -0.16074800    -0.39735200    -0.05319700     
C    -0.05825700    -1.33233600    -1.27465800     
C    -0.13659900    -1.22729700     1.24783700     
N    -1.28011000     0.55647800    -0.20124600     
C    -2.72049700     0.27291600     0.00779900     
C    -3.11999000     0.13342300     1.49667600     
C    -3.44545700     1.50640700    -0.56885900     
C    -3.18750600    -0.96840600    -0.76537700     
H     5.53516900    -0.06418800     0.10245100     
H     4.48369700    -1.16855900     1.03237700     
H     4.53733100    -1.29300800    -0.72456200     
H     2.81997400     2.20345200    -0.14320300     
H     1.02792600     1.22938000     0.78171200     
H     1.06666200     1.12369300    -0.99730600     
H     0.92059600    -1.81771400    -1.28455900     
H    -0.81816000    -2.11423700    -1.25741900     
H    -0.17611000    -0.75781500    -2.19760100     
H    -0.22823000    -0.58397000     2.12889100     
H    -0.95041900    -1.95612400     1.26921300     
H     0.80609200    -1.77581100     1.32488000     
H    -1.07009800     1.38293800     0.35007200     
H    -2.77321200     0.99958700     2.07191200     
H    -4.20978200     0.08502200     1.59977700     
H    -2.70469300    -0.76539900     1.95623900     
H    -3.20628100     1.62879600    -1.62831400     
H    -4.53039100     1.41163700    -0.45833600     
H    -3.13775400     2.41998200    -0.04665600     
H    -2.78640200    -1.89425700    -0.34533300     
H    -4.27869900    -1.03642600    -0.71534400     
H    -2.89869300    -0.90942100    -1.81777800     
031
G13_01907 
O     5.74802000     0.37501300    -0.79905200     
C     4.85076900    -0.19310300     0.14500800     
C     3.43752600    -0.04635800    -0.40130900     
C     2.37278500    -0.60116200     0.54382600     
N     1.04280600    -0.47448000    -0.03717700     
C    -0.01363200    -0.93289800     0.86953600     
C    -1.39578000    -0.70781300     0.31062700     
C    -2.17875400    -1.74976400    -0.05759600     
N    -3.45674000    -1.63011100    -0.55998600     
C    -4.15659700    -0.38792900    -0.25531200     
C    -3.24785700     0.80398200    -0.55528900     
C    -1.89585600     0.64660600     0.10974700     
N    -1.13850400     1.63539100     0.44352900     
O    -1.73265300     2.87762300     0.14827500     
H     6.64138500     0.28180900    -0.45613200     
H     5.07572200    -1.25924700     0.31465900     
H     4.92969700     0.31342400     1.12123100     
H     3.24972000     1.01841700    -0.59057800     
H     3.36887700    -0.55574100    -1.36816200     
H     2.56328400    -1.66879700     0.72714400     
H     2.45717200    -0.10333100     1.53130500     
H     0.86258700     0.50540000    -0.23680400     
H     0.13087200    -2.00744600     1.04119800     
H     0.05755500    -0.44404800     1.85990700     
H    -1.80241200    -2.76632400     0.00416300     
H    -4.01899600    -2.46481600    -0.49730700     
H    -5.06895200    -0.33558300    -0.85610100     
H    -4.44927800    -0.35696100     0.80782300     
H    -3.09158500     0.88926900    -1.63860800     
H    -3.71848100     1.73171200    -0.22632700     
H    -1.07866000     3.49620900     0.48883100     
027
G13_02200 
C    -3.34386700    -1.57071900     0.43487500     
C    -2.47632500    -0.46410400    -0.15413500     
C    -1.77500400     0.43465100     0.92298400     
C    -0.51172800     0.86190600     0.18570100     
C    -0.40327400     2.27057700    -0.45170100     
O     0.94833600     2.43454200     0.02519900     
C     0.94031800     1.14299800     0.65864600     
C     1.83143500     0.12803500    -0.09657700     
C     2.35138100    -0.98457100     0.81248500     
O     3.03018500    -1.91563000    -0.01710800     
N     0.95304700    -0.41366100    -1.15249500     
C    -0.35642400    -0.30238100    -0.75775300     
N    -1.37879600    -1.03462500    -0.97274700     
H    -2.74078700    -2.23773500     1.06053400     
H    -4.14829900    -1.15289200     1.05005000     
H    -3.79298700    -2.17113200    -0.36085000     
H    -3.11056100     0.16759800    -0.79537300     
H    -2.39306700     1.27003100     1.26332700     
H    -1.52970000    -0.18127300     1.79690600     
H    -0.46758700     2.32278100    -1.54465500     
H    -1.07933600     3.01306700    -0.00925000     
H     1.17822300     1.20641900     1.72637800     
H     2.68328700     0.65135200    -0.54313600     
H     3.02319300    -0.55331300     1.57121400     
H     1.50645800    -1.45942300     1.33652400     
H     3.22907100    -2.70163700     0.49945300     
H     1.25508600    -1.28548600    -1.56631500     
031
G13_02232 
C     4.82030600     0.33728400    -0.28515400     
C     3.50919100     0.21111700     0.49416500     
C     2.29436700     0.11317000    -0.41929900     
O     1.13436200     0.00848400     0.37886800     
C    -0.07455200    -0.05670000    -0.35717400     
C    -0.39591900    -1.45511600    -0.96011100     
C    -1.65226100    -1.76309200    -0.13796800     
C    -1.21996700    -1.30518900     1.31767700     
C    -1.25464200     0.10508900     0.64116200     
C    -1.58480600     1.56944000     0.91421200     
C    -2.37786900     1.87035500    -0.37459000     
C    -2.79985900     0.76972900    -1.02007700     
C    -2.46185900    -0.41835600    -0.14469700     
H     4.98386600    -0.52905700    -0.93582600     
H     4.82420800     1.23132800    -0.91861800     
H     5.67596200     0.40802400     0.39257700     
H     3.53288500    -0.67600600     1.13758100     
H     3.37570500     1.07315000     1.15791600     
H     2.23044000     1.00392200    -1.06901700     
H     2.39185100    -0.76051000    -1.08605500     
H    -0.07420400     0.73157300    -1.11956600     
H    -0.59236800    -1.42118100    -2.03584200     
H     0.41362200    -2.16759100    -0.77692900     
H    -2.14693800    -2.72178800    -0.29793400     
H    -2.01129000    -1.45473200     2.05449900     
H    -0.26132200    -1.66421500     1.69455800     
H    -2.22392100     1.71228100     1.79658500     
H    -0.70839900     2.21401500     1.03704600     
H    -2.58354800     2.88802700    -0.69094200     
H    -3.40466100     0.76878300    -1.91967300     
H    -3.30956600    -0.57029100     0.53982300     
031
G13_02656 
O    -2.80203400    -1.84188600     0.47832500     
N    -1.70892400    -1.66894000    -0.39582800     
C    -1.04916400    -0.61322800    -0.10990600     
C    -1.40417100     0.35023100     0.99490600     
C    -0.43443300     1.54344300     1.06335000     
C     0.91905900     1.13902100     1.71229200     
C     1.95436200     0.51951800     0.75052800     
C     1.45849000    -0.60555500    -0.15350800     
C     2.52102300    -1.43900900    -0.83400900     
C     1.68666800    -2.03628200     0.27173700     
C     0.16732800    -0.31311500    -0.95419900     
C     0.15361500     1.14725600    -1.40389400     
C    -1.13071700     1.93567000    -1.48592000     
C    -0.18982400     2.14358900    -0.32072000     
H    -3.20304200    -2.64837700     0.13833800     
H    -2.43403500     0.69016100     0.83602000     
H    -1.42764900    -0.18370600     1.95194200     
H    -0.89760100     2.29813000     1.71005500     
H     1.37975000     2.02714200     2.16173200     
H     0.71708900     0.45099300     2.54236900     
H     2.36145100     1.31746000     0.11863600     
H     2.80024400     0.14830900     1.34110300     
H     2.33660500    -1.77449900    -1.84952800     
H     3.56100300    -1.20709300    -0.62623400     
H     2.16062400    -2.21516000     1.23153400     
H     0.92920600    -2.76551500     0.00465900     
H     0.13154200    -0.98386000    -1.81818400     
H     0.94122900     1.40554300    -2.10553400     
H    -1.17996400     2.72722500    -2.22584800     
H    -2.07360800     1.42215300    -1.33749000     
H     0.36247300     3.07952200    -0.31330700     
026
G13_02721 
C     1.30747000    -2.61547100     0.75836400     
O     1.08417100    -1.26086200     1.09751100     
C     0.46869500    -0.49374600     0.07381500     
C    -1.00273100    -0.17312500     0.47972400     
C    -1.28953100     1.34540200     0.50330000     
C    -0.77084700     2.03978400    -0.77780300     
C     0.57190400     2.07628000     0.00467900     
N    -0.18539900     1.96752300     1.31004900     
C     1.28531900     0.77073600    -0.18003700     
N     2.48829000     0.80619600    -0.59805200     
O     3.02065500    -0.47326200    -0.80664000     
C    -2.00972700    -0.87246200    -0.41240100     
O    -3.24113600    -0.87363900     0.14945700     
O    -1.79537900    -1.35328100    -1.49765600     
H     0.37027500    -3.14445200     0.52877900     
H     1.98729800    -2.70508600    -0.09792200     
H     1.76762500    -3.08512700     1.63146900     
H     0.45227600    -1.06108500    -0.86420500     
H    -1.13836100    -0.53596600     1.50159900     
H    -2.30595500     1.54357900     0.84754100     
H    -0.81604700     1.50527700    -1.73166700     
H    -1.19117000     3.04209300    -0.89311400     
H     1.24710900     2.92411300    -0.10883000     
H    -0.47981200     2.90639800     1.57481400     
H     3.90718500    -0.27439800    -1.12552700     
H    -3.83046500    -1.30740800    -0.48614700     
028
G13_03139 
C     1.04395800     1.55869300    -1.49626000     
C     0.56839900     1.47296800    -0.04606800     
N     1.45050200     2.31144900     0.75826600     
C    -0.98627700     1.64064200     0.11123500     
C    -1.14742900     0.11828500     0.44176400     
C    -1.87169800    -0.20000200     1.75061800     
C    -1.75874700    -0.68458600    -0.72030000     
N    -3.19064500    -0.38745900    -0.85519800     
C     0.41415600     0.04339600     0.56913800     
C     1.19699000    -1.13958300     0.04932000     
F     1.04999900    -1.36318000    -1.26975200     
F     2.51201400    -0.98906500     0.27118600     
F     0.80976000    -2.27111600     0.67490700     
H     0.44511500     0.94435500    -2.16945600     
H     0.96528800     2.59811800    -1.83770500     
H     2.08922100     1.25034000    -1.57918300     
H     1.48826500     3.25061200     0.37074500     
H     1.08986200     2.40516200     1.70369600     
H    -1.24937100     2.28589600     0.95440700     
H    -1.51465100     2.00528500    -0.77554700     
H    -2.94645800    -0.03981100     1.64406500     
H    -1.71155900    -1.24795900     2.02923600     
H    -1.49966100     0.42481800     2.56967800     
H    -1.19114300    -0.50230000    -1.64323700     
H    -1.65952600    -1.75405600    -0.50125800     
H    -3.31432900     0.56100900    -1.19855500     
H    -3.59661200    -0.99428500    -1.56039800     
H     0.68448400     0.09627100     1.62828800     
027
G13_03318 
C    -3.27585700    -1.74312900    -0.29230300     
C    -1.97903700    -0.92122900    -0.36982100     
C    -2.33321400     0.56700300    -0.12429000     
N    -1.37717400     1.58033400    -0.56121400     
C    -0.19569800     1.94434400     0.00777300     
O     0.49822100     2.84566700    -0.43442000     
C     0.28125100     1.08094500     1.17102300     
C     0.97806800    -0.12442100     0.54157500     
N     2.29127100     0.18729000     0.18572000     
C     3.27665400    -0.59905300    -0.39203200     
N     3.21718200    -1.85731300    -0.54833700     
N     0.44626900    -1.24280800     0.27462700     
C    -0.93656000    -1.51055800     0.61760600     
H    -3.72542000    -1.68277700     0.70651500     
H    -4.01999400    -1.38747100    -1.01234900     
H    -3.08166200    -2.79820200    -0.50343400     
H    -1.56238100    -1.00965200    -1.38027300     
H    -3.25782500     0.78741900    -0.66570800     
H    -2.56976900     0.71274500     0.93797800     
H    -1.60309300     2.11172300    -1.38903200     
H     0.97497400     1.67864800     1.76330100     
H    -0.53319900     0.74698800     1.81343600     
H     2.49031900     1.17635200     0.19056400     
H     4.13162800     0.03078100    -0.67225400     
H     4.08388300    -2.18077900    -0.97609600     
H    -1.19591800    -1.18798500     1.64094300     
H    -1.05378200    -2.59904700     0.60901900     
026
G13_03953 
C     3.21011800     0.73103100    -1.08289900     
C     2.44631600    -0.16519900    -0.13462100     
O     2.51355000    -1.52660800    -0.46324300     
C     2.38685500     0.13825500     1.33088400     
C     1.12651400     0.28084700     0.49036400     
C     0.45230000     1.56113100     0.13860400     
C    -0.86493000     1.39563700    -0.02818700     
C    -1.25154800    -0.02853000     0.22296000     
C    -2.60198900    -0.36335300     0.83033100     
C    -3.72019700    -0.09276000    -0.07028800     
C    -4.62895100     0.14185100    -0.82059000     
N    -0.62699600    -0.98444200    -0.74826600     
C     0.00850600    -0.73156800     0.57362800     
H     3.20618100     1.77305000    -0.75186200     
H     4.25026900     0.39599800    -1.14824300     
H     2.77640200     0.69335200    -2.08839500     
H     1.83491400    -1.68050100    -1.13395100     
H     2.42553700    -0.70412400     2.01378300     
H     2.86689400     1.04300400     1.68956500     
H     0.99135000     2.48794100    -0.01869900     
H    -1.57646400     2.15645200    -0.32291300     
H    -2.61489800    -1.42044200     1.12721000     
H    -2.73173400     0.21505200     1.75451000     
H    -5.43424800     0.34371400    -1.48251500     
H    -1.13876100    -1.86541400    -0.69365500     
H     0.04716500    -1.53816900     1.29785100     
029
G13_03960 
C     3.41040500    -0.53395800    -0.89274000     
C     2.19068100    -0.15912200    -0.06483600     
C     2.02183100     1.34883200     0.12917400     
C     0.72159600     1.63855900     0.89683200     
C    -0.44673300     0.94593700     0.24297700     
C    -1.59568500     1.55896100    -0.04301100     
C    -2.78918400     0.90161700    -0.67985300     
C    -2.67211200    -0.62762500    -0.67791300     
C    -1.26026600    -1.06080700    -1.07655500     
C    -0.20436500    -0.51240900    -0.09643400     
O     1.05570400    -0.70421300    -0.74732800     
C    -0.23133300    -1.42683700     1.13938100     
O    -0.81823100    -1.21111300     2.16634100     
H     3.34566100    -0.08423600    -1.88831300     
H     4.32530400    -0.17942000    -0.40884700     
H     3.47525700    -1.61887700    -1.01066000     
H     2.27396800    -0.62904900     0.93179100     
H     2.88686500     1.75095000     0.66849600     
H     1.99136900     1.82880900    -0.85680600     
H     0.83099700     1.26922300     1.92687900     
H     0.53512000     2.71476000     0.96488200     
H    -1.69207700     2.61759500     0.19445600     
H    -3.70351200     1.21425300    -0.16046300     
H    -2.89799500     1.27283000    -1.71052600     
H    -2.89904300    -1.00515900     0.32573000     
H    -3.40611200    -1.07017100    -1.35878700     
H    -1.17537900    -2.15233300    -1.13294900     
H    -0.99435300    -0.67274100    -2.06618800     
H     0.33514100    -2.37270900     0.96705900     
032
G13_04011 
C    -0.70050300     2.80082800     0.34361500     
C    -1.80318200     1.74075200     0.33113100     
C    -1.40623700     0.41606100    -0.34572900     
N    -0.29588500    -0.20517100     0.37620800     
C     0.87409300    -0.20940600    -0.09299900     
O     1.24094200     0.37537100    -1.27313400     
C     2.64331600     0.16890000    -1.51756300     
C     3.24894500    -0.15202200    -0.14864100     
C     2.08297000    -0.86333500     0.55888500     
C     2.07530800    -0.79493200     2.08296600     
C    -2.58002300    -0.59334500    -0.30137300     
C    -2.33775700    -1.81165200    -1.19559700     
O    -2.83563600    -0.98517100     1.03951400     
H    -0.36024700     3.03740500    -0.67048300     
H    -1.05743600     3.72814500     0.80290100     
H     0.16818500     2.46131800     0.91590400     
H    -2.12919500     1.51709800     1.35210200     
H    -2.68090300     2.13122600    -0.19919700     
H    -1.14876700     0.61416500    -1.39495900     
H     2.76000600    -0.66366700    -2.22293400     
H     3.03667300     1.07640000    -1.98073800     
H     4.15380400    -0.75899100    -0.22057700     
H     3.49965700     0.77333900     0.38166400     
H     2.07469000    -1.91833100     0.24849400     
H     2.12408600     0.24362300     2.42579200     
H     1.15566500    -1.23283800     2.47715200     
H     2.92961100    -1.33485900     2.50223600     
H    -3.48584900    -0.07670800    -0.64337800     
H    -1.41695400    -2.32720600    -0.90288300     
H    -3.16853700    -2.51572300    -1.09776700     
H    -2.24889600    -1.52120400    -2.24862800     
H    -1.95842700    -1.12968500     1.42263900     
028
G13_04338 
C    -2.10897800     0.52860700     2.01430400     
C    -2.47864600     0.26078900     0.57445300     
C    -1.67658200     0.83082000    -0.58153300     
N    -0.48613800     1.54229800    -0.25595500     
C     0.71352000     1.41673800    -1.09070200     
C     2.00276700     1.34487100    -0.21234200     
C     2.80833500     0.04860000    -0.23841200     
N     3.02380600    -0.61206300     1.06177400     
C     2.20726500    -1.30453100     0.04395800     
C     0.78278800    -1.39201400     0.20653700     
C    -0.40452800    -1.20275900     0.09327000     
C    -1.68938600    -0.68970500    -0.30524200     
N    -2.49467400    -1.47446900    -1.22090300     
H    -1.02679800     0.57224500     2.14175000     
H    -2.53246100     1.48163600     2.35139200     
H    -2.50297700    -0.25799300     2.66666500     
H    -3.54451900     0.19280000     0.37542900     
H    -2.24396600     1.10068100    -1.47581200     
H    -0.67759300     2.50176600    -0.00216500     
H     0.61558400     0.51324400    -1.69552100     
H     0.79914900     2.25544100    -1.79801000     
H     2.68329100     2.15993500    -0.48498400     
H     1.69741900     1.51919100     0.82194000     
H     3.64163500     0.03266200    -0.93960500     
H     3.94362200    -1.04440700     1.09881100     
H     2.67145100    -2.14913100    -0.46209700     
H    -1.91042700    -1.82132000    -1.97763200     
H    -2.85369900    -2.29562100    -0.74031300     
030
G13_04429 
C    -4.75003300    -0.20020900    -0.56890800     
C    -3.60870900    -0.37545000     0.41905000     
O    -2.38812500    -0.17512100    -0.26133300     
C    -1.25529200    -0.31235600     0.57287500     
C    -0.01231100    -0.03136500    -0.25822000     
C     0.09394000     1.43313900    -0.76987200     
C     1.37267200     1.80155500    -0.01853500     
O     1.14481700     1.22928000     1.33645300     
C     1.28157600    -0.05243400     0.60439300     
C     1.87555900    -1.40521300     0.92935200     
C     2.55797300    -1.68736300    -0.47807600     
N     2.59920400    -0.38552600    -1.25665900     
C     2.35372700     0.59791900    -0.22266300     
H    -5.71309300    -0.34898000    -0.07127400     
H    -4.73281100     0.80488600    -0.99994600     
H    -4.66471000    -0.92334600    -1.38505000     
H    -3.70333100     0.34201700     1.25211400     
H    -3.63579300    -1.38525400     0.86437100     
H    -1.30746800     0.39144300     1.41796300     
H    -1.21892300    -1.33281800     0.99432100     
H     0.03958300    -0.74899900    -1.07913200     
H     0.21465800     1.49874100    -1.85371800     
H    -0.75752000     2.04780400    -0.47176900     
H     1.71358200     2.83602500     0.01568000     
H     2.62673400    -1.33636900     1.71986300     
H     1.16348900    -2.19131700     1.19166500     
H     3.56334800    -2.09631100    -0.32794000     
H     1.98444200    -2.42689100    -1.04484900     
H     3.50270200    -0.27747200    -1.70187200     
H     3.22252800     0.80291600     0.41884900     
029
G13_04558 
N     3.48939400    -0.44308400    -0.19129200     
C     2.05300500    -0.34683200    -0.48971900     
C     1.32390800    -1.43806700     0.32597900     
C    -0.14661100    -1.11684700     0.61806000     
N    -0.98852300    -1.28473600    -0.59270200     
C    -1.76520700    -0.05001000    -0.80363500     
C    -3.10702300    -0.15166900    -0.21614500     
C    -4.20196500    -0.20508400     0.27744600     
C    -0.93850900     1.06654600    -0.12621100     
C     0.31141200     1.51902000    -0.93972700     
C     1.55204500     1.07654500    -0.11945900     
C     1.01069800     1.07371800     1.32144400     
C    -0.33381600     0.36223000     1.11111000     
H     3.81150700    -1.39437400    -0.35033000     
H     4.01471500     0.14282500    -0.83504500     
H     1.84655300    -0.50458200    -1.56301100     
H     1.39529500    -2.40843800    -0.18138000     
H     1.85714300    -1.54997300     1.27590500     
H    -0.50395800    -1.80544900     1.39189500     
H    -0.40717300    -1.45508300    -1.40384300     
H    -1.87612100     0.12707100    -1.87991000     
H    -5.17184100    -0.26948400     0.70472500     
H    -1.56578200     1.91908200     0.14136700     
H     0.31971800     1.10314400    -1.95401300     
H     0.30770000     2.60744200    -1.04840600     
H     2.38366300     1.77395600    -0.25783400     
H     1.68021200     0.57780700     2.02904100     
H     0.84740300     2.09500900     1.68351700     
H    -0.99274800     0.39848500     1.98043300     
029
G13_04701 
C    -3.81629200    -1.10561800    -0.22306800     
N    -2.80812700    -0.05471100    -0.19907000     
C    -1.69160600    -0.30716200     0.71803000     
C    -0.72328700    -1.40338000     0.25896100     
C     0.42648700    -0.89837600    -0.17760200     
C     1.79964800    -1.41765300    -0.49601900     
C     2.66892200    -0.27143200     0.02615100     
C     4.15406400    -0.41412900     0.12424300     
C     1.93282000     0.80509700     0.34489600     
C     0.48267900     0.60061400     0.02450200     
N    -0.09770800     1.48568000    -1.05192100     
C    -0.99612700     2.13524700    -0.05888200     
C    -0.75778900     0.94613100     0.89295500     
H    -4.28490600    -1.18378700     0.76511300     
H    -4.59952300    -0.83893300    -0.93953500     
H    -3.44087000    -2.10813300    -0.49244300     
H    -2.42616700     0.07803400    -1.13134200     
H    -2.14664900    -0.57609500     1.67973300     
H    -0.98247800    -2.45648400     0.29745800     
H     2.02291500    -2.37389300    -0.00748800     
H     1.97389500    -1.57131000    -1.57168800     
H     4.59273500    -0.65550300    -0.85267700     
H     4.62532200     0.50058900     0.49378700     
H     4.42872400    -1.23617900     0.79768600     
H     2.34298000     1.74244900     0.70856200     
H     0.57755600     2.10215700    -1.49391000     
H    -0.60156900     3.07140000     0.35868200     
H    -2.01915500     2.29650300    -0.40662600     
H    -0.59908200     1.17637000     1.94662600     
026
G14_00099 
C    -3.78416300    -1.75751100     0.51417700     
N    -3.04659200    -0.52461900     0.32912900     
C    -1.77695800    -0.60259800     0.13578400     
N    -1.00562500    -1.74072100     0.13432800     
C    -1.06780900     0.66714900    -0.07983300     
C     0.24152100     1.11529700    -0.05436900     
N     0.28699600     2.46857300    -0.31167200     
C    -0.96754300     2.83483300    -0.47308400     
N    -1.81521000     1.78845800    -0.34226500     
C     1.50296800     0.38503100     0.22281500     
N     1.97756900     0.50337900     1.40440700     
O     3.22040400    -0.11609800     1.55954200     
C     2.18219300    -0.32845200    -0.90716100     
C     2.63604900    -1.71573600    -0.80639200     
O     1.43029900    -1.39511500    -1.52217000     
H    -4.85405300    -1.53807900     0.55833000     
H    -3.63151600    -2.47990400    -0.30678300     
H    -3.51513400    -2.26896200     1.45175500     
H    -1.50788600    -2.61418600     0.12333600     
H    -0.17173800    -1.72848600    -0.44647200     
H    -1.30667100     3.83695800    -0.68814500     
H    -2.82440100     1.75251100    -0.35259700     
H     3.41403000     0.05865900     2.48703400     
H     2.66250900     0.32750000    -1.63320400     
H     3.45871200    -2.05982400    -1.42922900     
H     2.49300900    -2.25003800     0.12788700     
029
G14_00218 
N    -1.38527400     2.60603300    -1.28960100     
C    -1.18763900     1.71650400    -0.40549300     
C    -0.37048600     2.09248400     0.81684800     
N     0.63191500     1.10800200     1.21662900     
C     1.37672300     0.42405200     0.16085500     
C     2.90691000     0.42898100     0.33687700     
N     3.39192500    -0.82705900    -0.25881800     
C     2.23721000    -1.63688000    -0.69505700     
C     1.06906700    -1.08828500     0.12800200     
C    -0.32400800    -1.48810800    -0.36019700     
C    -1.47689000    -0.67118600     0.27973800     
O    -1.75939100     0.48997600    -0.54260700     
C    -2.71710400    -1.43857600     0.34191800     
C    -3.71832200    -2.09905900     0.40554800     
H    -1.99723400     2.23593000    -2.02068200     
H     0.04098000     3.07981400     0.57058900     
H    -1.06496400     2.23233800     1.65811700     
H     1.25267700     1.50968700     1.90672900     
H     1.13759200     0.86221000    -0.81835500     
H     3.37313300     1.30999800    -0.11741000     
H     3.14790100     0.45713900     1.41246600     
H     4.03322200    -0.65573600    -1.02018400     
H     2.02080800    -1.52351300    -1.77023200     
H     2.41581600    -2.70297000    -0.51159300     
H     1.18097700    -1.43424200     1.16470700     
H    -0.41697600    -1.36352000    -1.44548000     
H    -0.49085300    -2.54896600    -0.14936500     
H    -1.19144000    -0.35218500     1.28536100     
H    -4.60924600    -2.67418100     0.46448200     
042
G14_00249 
C    -3.44881100    -1.33481100     0.99057800     
C    -3.39951500    -0.19084800    -0.03971400     
C    -3.64208000    -0.75702800    -1.45089300     
C    -4.51714400     0.81572800     0.29390700     
C    -2.04751200     0.56651000     0.02963500     
C    -0.79466700    -0.23268700    -0.35436400     
C     0.55330600     0.42805200     0.05321900     
C     0.71412700     1.79689500    -0.61259200     
O     0.53610400     0.70773500     1.46151700     
C     1.67479500    -0.58880200    -0.29451800     
C     3.19045500    -0.31118000    -0.06984400     
C     3.50055800     0.18838100     1.35371600     
C     3.90881300    -1.66379000    -0.27505500     
C     3.76896300     0.67653900    -1.10380800     
H    -2.71151900    -2.11560400     0.77877500     
H    -3.26260800    -0.96135500     2.00389100     
H    -4.43467100    -1.81289500     0.98943400     
H    -4.62989000    -1.22642800    -1.51719400     
H    -3.59949400     0.03473900    -2.20763100     
H    -2.89928900    -1.51544800    -1.71758100     
H    -4.37657900     1.24550400     1.29192300     
H    -4.53389300     1.64215900    -0.42533100     
H    -5.50108900     0.33416800     0.27248900     
H    -2.12753100     1.44684300    -0.61987900     
H    -1.91134200     0.94794900     1.04834500     
H    -0.82561000    -1.22062800     0.12398500     
H    -0.77874200    -0.42201200    -1.43415800     
H    -0.15528400     2.42460900    -0.40537200     
H     1.58861700     2.31641100    -0.21981500     
H     0.82035600     1.69670100    -1.69637800     
H     0.47034400    -0.13319900     1.92714100     
H     1.43074600    -1.49854600     0.27522500     
H     1.54561100    -0.87053600    -1.34831400     
H     3.14620900    -0.52278700     2.10858500     
H     4.58360800     0.29462300     1.48626500     
H     3.02948000     1.14916700     1.56714400     
H     3.72676600    -2.06420100    -1.27880400     
H     4.99136500    -1.55022300    -0.15262300     
H     3.56760800    -2.41103500     0.44996400     
H     3.41251000     1.69752400    -0.95864700     
H     4.86183400     0.70120600    -1.02897700     
H     3.51593600     0.37364900    -2.12619500     
030
G14_00355 
C    -3.82579800     0.88968200     0.28188300     
N    -2.64203200     0.07638200     0.03471600     
C    -1.40143900     0.76633500     0.34844500     
C    -0.15642300    -0.11420300     0.07633800     
C    -0.19885600    -1.38487900     1.00224400     
N    -0.56458700    -2.52238000     0.15040900     
C    -0.59468400    -2.07166200    -1.04449600     
N    -0.23358500    -0.75287100    -1.25580500     
C     1.12216900     0.75320300     0.17654400     
C     2.05958400     0.72461700     1.38543000     
C     2.55591800     0.20817800     0.06921500     
C     2.91889900    -1.23130000    -0.22589400     
C     0.99347100     2.04766200    -0.45519200     
N     0.90516800     3.07832700    -0.97561200     
H    -3.81765600     1.76055800    -0.38321100     
H    -4.72259400     0.30543400     0.05699700     
H    -3.90898400     1.26530600     1.31718600     
H    -2.71055800    -0.79219000     0.55412500     
H    -1.36550400     1.66686100    -0.27494700     
H    -1.33690800     1.11436600     1.39824100     
H     0.75202700    -1.59099600     1.49689800     
H    -0.93075000    -1.26067200     1.80984200     
H    -0.84785900    -2.68681700    -1.90384300     
H    -0.75452400    -0.25115000    -1.96360600     
H     2.43225100     1.67293700     1.75485600     
H     1.81875100     0.00961800     2.16343800     
H     3.20603100     0.90546400    -0.45227500     
H     2.30441300    -1.96328200     0.29698200     
H     2.82912500    -1.43197400    -1.29716200     
H     3.96094000    -1.40547000     0.06342100     
031
G14_00708 
C     4.40863100    -1.13832400     0.39425700     
C     3.52384600     0.04366700     0.04259000     
O     2.16227900    -0.37549300     0.19423600     
C     1.19611200     0.55398500    -0.06849000     
N     1.52432800     1.72333900    -0.40478200     
C     0.58282100     2.77436200    -0.73161800     
C    -0.17685900    -0.06405900     0.11277800     
N    -1.14169200     0.74259700     0.35900400     
C    -2.50660800     0.24992400     0.58848200     
C    -3.41699900     1.45181400     0.84252700     
C    -3.00977800    -0.60330400    -0.55877000     
C    -2.47309600    -1.78756100    -0.84352800     
C    -1.32096800    -2.33231900    -0.03280200     
N    -0.17269300    -1.42719600    -0.03108700     
H     4.23426200    -1.46524900     1.42348700     
H     4.21886800    -1.98489200    -0.27271200     
H     5.46127300    -0.85636100     0.29686900     
H     3.70679600     0.90269300     0.69608400     
H     3.68226500     0.38664600    -0.98550600     
H     1.10727000     3.52860600    -1.32761500     
H    -0.29806900     2.42049500    -1.27513300     
H     0.21522400     3.25647800     0.18080300     
H    -2.50571500    -0.36788300     1.50209500     
H    -3.44376400     2.09960700    -0.03996400     
H    -4.43870300     1.12863500     1.06857800     
H    -3.04057700     2.04222200     1.68139100     
H    -3.81024400    -0.19867100    -1.17449300     
H    -2.82679500    -2.37519500    -1.68543500     
H    -1.64361200    -2.56264800     0.99492000     
H    -0.97225800    -3.27552300    -0.46148000     
H     0.74334800    -1.83530500    -0.11027400     
030
G14_00854 
C     1.49818200    -2.19496400     0.72514200     
C     0.64877800    -0.96787400     1.02233900     
C     1.14577500     0.52500900     0.97240300     
C     1.64399700     0.67666900    -0.47227100     
C     3.04777400     0.21596300    -0.83298000     
O     0.60160300    -0.09652400    -1.14610200     
C    -0.29765500    -0.43166600    -0.06981400     
C    -1.52789400    -1.13781400    -0.55906800     
N    -1.77353400    -0.96992100    -1.89431600     
N    -2.21321500    -1.79714100     0.30034300     
C    -0.38280100     0.92348000     0.75614500     
C    -1.27913800     0.94259000     2.00448700     
C    -0.67838000     2.11403700    -0.02708300     
C    -0.97403500     3.10738400    -0.63895200     
H     1.82004400    -2.23364600    -0.31641200     
H     2.38445200    -2.23840100     1.36743800     
H     0.90360500    -3.09264200     0.92175900     
H     0.10216500    -1.13767800     1.94505200     
H     1.73820900     0.97887700     1.76707400     
H     1.54170500     1.71835200    -0.79580800     
H     3.30615800    -0.76229400    -0.43037000     
H     3.15222900     0.18063000    -1.92201500     
H     3.77202900     0.94478000    -0.45326100     
H    -1.19590300    -0.32164900    -2.40389400     
H    -2.67746000    -1.20369000    -2.26829700     
H    -3.05099400    -2.19988300    -0.12520900     
H    -1.08416200     0.12135700     2.69265300     
H    -1.12819000     1.88460200     2.54019600     
H    -2.32942600     0.88317100     1.70939900     
H    -1.22766600     3.98287200    -1.18377100     
026
G14_00955 
C    -0.13436900     2.44279000     0.44600200     
C     0.42366600     1.07727100     0.18859900     
C    -0.16581100    -0.12870800     0.05176300     
C     0.73355700    -1.32770900     0.06083200     
O     0.31823000    -2.45390800     0.26958400     
N     2.09256100    -1.11488500    -0.15740500     
C     2.53279400     0.08822000    -0.12927700     
N     3.82973400     0.40070600    -0.37806900     
O     1.80403500     1.19365100     0.13166400     
C    -1.68579000    -0.38551200     0.00357000     
C    -2.02054700    -1.40979200    -1.12505300     
C    -2.16331600    -0.94350200     1.37223600     
C    -2.48293800     0.80603800    -0.32486500     
C    -3.24302600     1.68641800    -0.63306500     
H     0.55481100     2.97342000     1.10930800     
H    -0.21206200     3.01853100    -0.48269700     
H    -1.11978100     2.40326000     0.89905300     
H     4.47783400    -0.36890300    -0.36244200     
H     4.16436200     1.30821100    -0.10145500     
H    -1.55289000    -2.36987600    -0.91889500     
H    -3.10529100    -1.53129700    -1.17922200     
H    -1.67331300    -1.03646600    -2.09246300     
H    -2.00094200    -0.21041100     2.16751400     
H    -3.23240200    -1.16999800     1.32911500     
H    -1.60934700    -1.85390700     1.60344900     
H    -3.89048200     2.48565300    -0.89739500     
035
G14_01052 
C    -5.69542600    -0.26528200     0.26243900     
C    -4.51486600     0.53233400    -0.29605300     
C    -3.15634300    -0.07852000     0.07679200     
O    -3.04452200    -1.43045500    -0.34632000     
C    -2.00219100     0.77396200    -0.44571300     
O    -0.78271600     0.24752800     0.02282600     
C     0.36042000     0.99290400    -0.36136400     
C     1.55654900     0.33600600     0.31598800     
O     1.32803200     0.28380700     1.72536400     
C     1.89164800    -1.07932700    -0.20845500     
N     3.25132800    -1.34863500     0.26788900     
C     3.97723700    -0.05523400     0.17019100     
C     4.90822600    -0.04594200    -1.04403700     
C     2.88865000     1.06531900     0.09829400     
H    -6.64927800     0.15580200    -0.06824400     
H    -5.64293600    -1.30672800    -0.06448200     
H    -5.68850100    -0.26100000     1.35786800     
H    -4.58770500     0.58788200    -1.39232900     
H    -4.55339600     1.56748300     0.06587800     
H    -3.06942700    -0.12650000     1.16981700     
H    -3.04543700    -1.44001500    -1.31038100     
H    -2.01585300     0.78391400    -1.55137900     
H    -2.12790200     1.81757600    -0.11225800     
H     0.47890900     0.98863700    -1.45683500     
H     0.26087000     2.03964300    -0.03169100     
H     0.42489200    -0.04311000     1.82743600     
H     1.18862000    -1.83750700     0.14333800     
H     1.87272900    -1.08825800    -1.30713500     
H     3.17095700    -1.58219200     1.25224700     
H     4.58451000     0.06673100     1.07241400     
H     4.34394000    -0.21237100    -1.96863100     
H     5.42565200     0.91597100    -1.13394300     
H     5.65688100    -0.83844800    -0.96198900     
H     2.89950400     1.54942900    -0.88502300     
H     3.02390000     1.83914400     0.85665600     
031
G14_01169 
O    -0.22567800     2.39945700     1.63572000     
C     0.10397000     1.10409100     1.11742900     
C    -1.14612100     0.18736300     1.22474100     
C    -1.35740200    -0.90110500     0.15817800     
O    -2.43898500    -1.70692300     0.65050000     
C    -1.85080500    -0.25392700    -1.16689300     
O    -0.87825300     0.45222200    -1.91207500     
C    -0.37712700     1.65617500    -1.34175900     
C     0.71494200     1.42518200    -0.28360400     
N     1.72662400     0.54549400    -0.87764900     
C     2.70374100    -0.18498400    -0.09222700     
C     2.35907700    -1.70969200     0.16291500     
C     0.96594000    -1.74261900     0.68940900     
C    -0.08081600    -1.65357500    -0.13498600     
H    -0.67427200     2.27682600     2.47829100     
H     0.90336800     0.67711100     1.73461900     
H    -1.14144300    -0.30645500     2.20340100     
H    -2.03076700     0.83387100     1.21266800     
H    -2.41272200    -2.54704200     0.18067000     
H    -2.19709800    -1.05442700    -1.83080300     
H    -2.71241600     0.38955300    -0.93429300     
H     0.05244500     2.20777900    -2.18283300     
H    -1.18697700     2.25631300    -0.90570200     
H     1.17723400     2.40695500    -0.10757000     
H     1.28660200    -0.05188900    -1.56461000     
H     3.67618200    -0.16297500    -0.60273200     
H     2.85091200     0.31918700     0.86826300     
H     2.43107900    -2.23599300    -0.79638600     
H     3.10807100    -2.13578400     0.83843100     
H     0.84656200    -1.49437600     1.74196500     
H     0.06780300    -1.91661300    -1.18220500     
026
G14_01263 
C     1.46448500     1.36132900    -0.84657800     
C     1.72436600     0.02126500    -0.14535900     
C     3.14590400    -0.08472700     0.43342900     
C     4.26103200    -0.02652800    -0.60545100     
O     5.47763000    -0.28839300     0.07591600     
C     0.72026500    -0.23736800     0.99464900     
N    -0.67580000    -0.34415900     0.55868100     
C    -1.21720100    -1.49854900     0.10668500     
N    -2.42775700    -1.65416800    -0.32437000     
C    -3.26881300    -0.54214300    -0.33855000     
O    -4.41297700    -0.55260200    -0.73153600     
C    -2.62310100     0.68952900     0.18957900     
F    -3.35894900     1.77784900     0.23470400     
N    -1.41491700     0.79554300     0.60627900     
H     1.63446000     2.19931500    -0.16118300     
H     2.12619700     1.49000100    -1.70698300     
H     0.43627900     1.43515900    -1.20838600     
H     1.59354100    -0.78738800    -0.87967300     
H     3.31072200     0.71283000     1.16934100     
H     3.25731500    -1.03338900     0.97318000     
H     4.07379200    -0.77610800    -1.39287200     
H     4.28554000     0.95958100    -1.09202100     
H     6.20124800    -0.19856300    -0.55098700     
H     0.97252500    -1.17001900     1.50823800     
H     0.75053400     0.57055100     1.72936900     
H    -0.54113300    -2.35201900     0.13004500     
030
G14_01902 
C     4.73095200     0.88887900    -0.25791000     
C     3.64433500    -0.18150500    -0.19866700     
C     3.27921300    -0.64966300     1.23941800     
N     1.80635100    -0.69115800     1.26553000     
C     1.34839300    -0.82157900    -0.12458000     
C    -0.07870100    -0.56158500    -0.27365000     
C    -1.25632300    -0.34969900    -0.42731900     
C    -2.70284300    -0.15112200    -0.59194200     
N    -3.43535200    -1.33290800    -1.06150200     
C    -3.31812200     0.32887700     0.74914900     
C    -4.71918300     0.72072300     0.61663800     
N    -5.81943500     1.05977600     0.52284600     
C     2.28192300     0.21497500    -0.82486800     
N     1.93546500     1.60666200    -0.56865200     
H     4.41767700     1.79886000     0.25926600     
H     5.65468100     0.52565700     0.20546100     
H     4.95811600     1.16250300    -1.29283200     
H     3.99348000    -1.05880700    -0.75560700     
H     3.74071100    -1.62494800     1.45319000     
H     3.64366000     0.05280200     1.99881000     
H     1.43728000    -1.41866200     1.86477900     
H     1.56175100    -1.81861400    -0.55655600     
H    -2.87323500     0.64069500    -1.33110400     
H    -3.14550400    -1.55565200    -2.00890000     
H    -3.17769400    -2.13611400    -0.49327600     
H    -3.23625800    -0.47319400     1.49109500     
H    -2.74390700     1.17735900     1.13330400     
H     2.28777600     0.06026600    -1.90750900     
H     1.05740400     1.82214900    -1.03230600     
H     1.75699400     1.71928900     0.42702300     
027
G14_02148 
O     3.10764200    -1.89953500    -0.50933900     
C     1.73074700    -1.58604700    -0.57728300     
C     1.43162500    -0.29045600     0.15006200     
C     1.16817400    -0.29765600     1.63640100     
C     0.04907500     0.05326800     0.66206800     
O    -0.32390000     1.40764700     0.62982100     
C     0.26133500     2.12366200    -0.45281100     
C     1.77255100     2.05080100    -0.34164300     
O     2.22182000     0.70560400    -0.45367900     
C    -1.12862400    -0.85495700     0.47132500     
C    -2.47160900    -0.43575300     1.11441300     
C    -2.94715200    -0.33098300    -0.31738100     
N    -4.03185300    -0.04213400    -0.87316400     
O    -1.72801500    -0.69143800    -0.86425000     
H     3.57696500    -1.11106900    -0.80582300     
H     1.38713600    -1.49417300    -1.61900300     
H     1.19777300    -2.42255200    -0.11811400     
H     1.15752200    -1.25851200     2.14044000     
H     1.52690500     0.53085400     2.23610700     
H    -0.07531600     1.71093300    -1.41326500     
H    -0.08628700     3.15618600    -0.36438100     
H     2.25941000     2.60285900    -1.15095900     
H     2.09036100     2.48607100     0.61738800     
H    -0.85658500    -1.90115300     0.62743800     
H    -2.97348100    -1.19583400     1.71395500     
H    -2.44601200     0.51412200     1.64734000     
H    -3.95252500    -0.09228400    -1.89030500     
027
G14_02338 
O    -3.17067100     0.14355400     1.17118500     
C    -3.28130300    -0.12627900    -0.00669700     
N    -2.24398900    -0.50474400    -0.80780500     
C    -0.88371400    -0.37316300    -0.33067400     
C    -0.47949100    -1.27138300     0.87423300     
C     0.85279600    -1.60517200     0.14227800     
C     0.19391700    -1.12323200    -1.17537400     
C     2.03506900    -0.76941800     0.61688300     
O     3.02842100    -0.58494400    -0.42225400     
C     2.84049600     0.84555700    -0.42716000     
C     1.90561000     0.77470200     0.79811900     
C     0.56873100     1.52281900     0.78805200     
C    -0.48685700     1.11250000    -0.22722800     
O    -1.01517200     1.92399300    -0.95096900     
H    -4.25080100    -0.12975400    -0.54110800     
H    -2.38905200    -0.43731800    -1.80454100     
H    -0.43417700    -0.80948900     1.86067300     
H    -1.14358900    -2.13513400     0.92740600     
H     1.15186200    -2.65583000     0.14306900     
H    -0.27069800    -1.95309500    -1.71354800     
H     0.80071300    -0.54321400    -1.87262600     
H     2.47706800    -1.26069900     1.49354100     
H     3.78354800     1.38582200    -0.28889700     
H     2.36611900     1.19521800    -1.35490800     
H     2.43992300     1.08002600     1.70097300     
H     0.09343400     1.42374900     1.77317400     
H     0.75142900     2.59051100     0.63312300     
026
G14_02470 
N    -3.29955700    -0.92376100     0.09304300     
C    -2.10097100    -1.09391800     0.90828200     
C    -0.90418400    -0.46179200     0.21397900     
C    -0.50738200    -1.13602800    -1.15812000     
C     0.71940500    -1.84985600    -0.44094600     
N     2.09548300    -1.60181500    -0.86454500     
C     2.72501600    -0.64380100     0.08244000     
C     1.53503700    -0.06507700     0.83415600     
C     1.35268100     1.36821900     1.22267400     
O     0.83757000     2.11658200     0.08568400     
C    -0.37896800     1.85340700    -0.43361300     
O    -0.77500100     2.45036700    -1.38822000     
O    -1.16333000     0.95806800     0.24419400     
C     0.47894500    -0.85385900     0.64801700     
H    -4.10535200    -1.31494900     0.56914900     
H    -3.47842900     0.06853700    -0.02847400     
H    -2.16333400    -0.66236000     1.92151000     
H    -1.90090800    -2.16528200     1.02524800     
H    -1.28761800    -1.77075700    -1.58124700     
H    -0.16150700    -0.40573500    -1.89092900     
H     0.50916600    -2.90688700    -0.24617800     
H     2.63329300    -2.44965400    -0.97607300     
H     3.46627700    -1.12258600     0.74323900     
H     3.25374900     0.15451700    -0.45750800     
H     0.66409700     1.47383000     2.06423900     
H     2.28769500     1.87645800     1.46305000     
021
G14_02591 
O     2.67025700    -0.63915200    -1.29979300     
C     2.27227900     0.12818000    -0.47395600     
C     0.74866800     0.35870500    -0.17526400     
C     0.57585000     1.81085400    -0.12022300     
N     0.51025100     2.96417400    -0.11839100     
C    -0.09467800    -0.33240700    -1.23534800     
C    -0.96683700    -1.49295500    -0.84725100     
O    -1.10540700    -1.81784300     0.49909100     
C     0.07941500    -1.69294700     1.26085200     
C     0.61610200    -0.26878100     1.24927200     
O     1.01962700     0.30780700     2.22177800     
C    -1.61653200    -0.19270700    -1.29490200     
C    -2.32577800     0.60051900    -0.33661200     
C    -2.92370800     1.26795000     0.46444900     
H     2.93344500     0.73351100     0.17378100     
H     0.40648200    -0.41022100    -2.19310000     
H    -1.01545300    -2.35087800    -1.51405900     
H    -0.16260300    -1.96581900     2.28877700     
H     0.87260300    -2.36403200     0.89019800     
H    -2.02723000    -0.18638600    -2.30024000     
H    -3.44349700     1.86964900     1.16867900     
037
G14_02856 
C     2.55463200    -1.14972500     1.21315200     
C     2.41593000    -0.47974800    -0.16928000     
C     3.41885100     0.69298500    -0.27050900     
C     2.79812600    -1.52413900    -1.23723400     
N     0.99856300    -0.15402900    -0.45614300     
C     0.22502500     1.00601000     0.03490400     
C     0.36206100     1.20570000     1.55309200     
C     0.61701800     2.33412200    -0.66870100     
C    -1.25849100     0.75183400    -0.36606000     
C    -2.08210700    -0.40025200     0.23906900     
C    -1.54412300    -1.81750900     0.01244000     
O    -2.26760200    -0.28394900     1.65513700     
C    -3.49252200    -0.38552600    -0.37764600     
O    -3.81503700     0.14718100    -1.40681100     
H     2.34878400    -0.46129000     2.03384300     
H     1.86736700    -1.99618900     1.29784700     
H     3.57550400    -1.52327200     1.34709700     
H     4.44219700     0.32008700    -0.15094900     
H     3.35514200     1.18625300    -1.24527200     
H     3.25791200     1.44520500     0.50616300     
H     2.10676700    -2.37152300    -1.21127300     
H     2.76888700    -1.08716500    -2.24257800     
H     3.81144100    -1.89914500    -1.06827600     
H     0.86225800    -0.20032600    -1.45952800     
H     1.37227700     1.52446700     1.82251000     
H    -0.31631000     2.00341700     1.87531800     
H     0.10850200     0.30482600     2.11077500     
H     0.55208000     2.22929000    -1.75764900     
H    -0.05415100     3.14873700    -0.37466500     
H     1.63392100     2.63871200    -0.41831600     
H    -1.81557000     1.67719300    -0.16374800     
H    -1.30942800     0.63824600    -1.45529500     
H    -0.58973800    -1.93955400     0.52123800     
H    -2.26060500    -2.54744500     0.40415400     
H    -1.39321800    -2.00770700    -1.05304800     
H    -2.51553800     0.62603600     1.85224600     
H    -4.22370400    -0.93902400     0.25644200     
028
G14_02944 
C     4.07379800    -0.39663800    -0.19917900     
C     2.60859500    -0.09641200    -0.08814100     
C     2.05922200     1.13551500    -0.14267000     
C     0.63114000     1.36167400    -0.00133100     
N     0.10265200     2.54474200     0.10393400     
C    -0.21044000     0.14517100     0.03754000     
C     0.39922100    -1.07399900     0.15410200     
C    -0.25154800    -2.41842200     0.38105000     
N     1.77712600    -1.17096200     0.09306200     
C    -1.75008100     0.35735500     0.02369600     
C    -2.23720000     0.75005300     1.43944100     
N    -2.21262200     1.39483000    -0.91880300     
C    -2.49224000    -0.84637000    -0.41386500     
N    -3.11634500    -1.74628500    -0.78309200     
H     4.28256400    -1.03834600    -1.06340600     
H     4.64537400     0.52520600    -0.31350400     
H     4.44075500    -0.91690900     0.69369600     
H     2.70182800     2.00007700    -0.26800300     
H     0.82864900     3.26034600     0.07270100     
H    -0.59938300    -2.87167600    -0.55070200     
H     0.46857100    -3.09992900     0.84603100     
H    -1.11252600    -2.35280200     1.04368300     
H     2.18371600    -2.08856000     0.17238400     
H    -1.72267100     1.66547500     1.73575000     
H    -3.31389700     0.93149300     1.41645800     
H    -2.01507700    -0.03764500     2.16436600     
H    -1.67386400     2.23477000    -0.69499800     
H    -1.95252000     1.12465700    -1.86401200     
029
G14_03858 
C    -1.76653900    -1.91167200     1.08926600     
C    -1.45280300    -0.62884300     0.29771800     
C    -2.07230200     0.60739000     1.03540100     
N    -1.78657900     1.88114600     0.41192900     
C    -0.35437300     2.10656100     0.28483800     
C     0.43051400     0.99118300    -0.45549700     
C     1.93593100     1.28006100    -0.29781300     
N     2.84555000     0.16628400    -0.61574000     
C     3.42305000    -0.53248500     0.53518800     
C     2.35656000    -1.17242400    -0.28612300     
C     0.96120100    -1.34978900     0.17266300     
C     0.04261500    -0.38788800     0.04933600     
C    -2.11017700    -0.70850200    -1.02133400     
N    -2.63674800    -0.73864000    -2.05108000     
H    -1.24495800    -1.89065500     2.05003200     
H    -2.84170900    -1.98007400     1.27667400     
H    -1.46642000    -2.81103400     0.54776600     
H    -3.15523800     0.47068900     1.11268500     
H    -1.66314900     0.61509300     2.05389600     
H    -2.24491100     1.93896200    -0.49273700     
H    -0.18676000     3.06643400    -0.21458600     
H     0.05131500     2.20183600     1.30170400     
H     0.15474600     1.04828800    -1.51886600     
H     2.20409500     2.12062100    -0.94811400     
H     2.10852700     1.61669700     0.73405700     
H     4.45787900    -0.84725800     0.42870100     
H     3.14562100    -0.18416400     1.52852800     
H     2.67314400    -1.93916900    -0.99475500     
H     0.69019700    -2.34933900     0.49739300     
025
G14_03958 
C    -3.93492400     0.70500600    -0.97742500     
C    -2.91451400    -0.43696000    -1.01593500     
C    -2.00470600    -0.49418100     0.22262000     
N    -2.67538000    -0.66598500     1.50337200     
C    -0.75209800    -1.41797400     0.05030000     
N     0.09071800    -0.20825200     0.09472100     
C    -0.98573600     0.67045900     0.30295700     
O    -1.05980800     1.84880400     0.48786600     
C     1.45507900    -0.06656000     0.00576500     
C     2.29008700    -1.19297100    -0.15276800     
N     3.60207900    -1.07087500    -0.24857500     
N     4.14754800     0.14808300    -0.18939200     
C     3.31756900     1.17797100    -0.03526200     
N     1.98736800     1.14863900     0.06517400     
H    -4.53787200     0.71242800    -1.88965300     
H    -4.61944500     0.60090600    -0.12974000     
H    -3.43524400     1.67348600    -0.88760600     
H    -3.43019200    -1.40405200    -1.10086700     
H    -2.29092000    -0.34361400    -1.91401700     
H    -3.03885800     0.22778800     1.82047800     
H    -3.46945300    -1.29381900     1.41271400     
H    -0.58943300    -2.08881600     0.89646800     
H    -0.68313100    -1.95869700    -0.89798700     
H     1.89382500    -2.20220400    -0.20277800     
H     3.78832100     2.15616400     0.01143800     
027
G14_04029 
C    -2.67298200    -2.29111000    -0.20674000     
C    -2.34172500    -0.81552100    -0.37390800     
O    -3.47583200    -0.06642100    -0.00110300     
C    -1.13184800    -0.38932500     0.50146600     
N     0.08841900    -1.14302500     0.21931900     
C     1.02015600    -0.32393300    -0.07231500     
C     2.41432100    -0.69768000    -0.38242900     
C     3.27684500    -1.27522600     0.73666300     
C     2.78909100    -2.15889400    -0.36900400     
N     0.61805700     1.04561400    -0.05037100     
C     1.40817800     2.15991400    -0.25499500     
O     0.99391500     3.29627200    -0.24899400     
C    -0.77042500     1.06912400     0.27101200     
N    -1.56387100     2.05295900     0.32322600     
H    -3.54090200    -2.54089600    -0.82274000     
H    -1.82765300    -2.91508300    -0.50386100     
H    -2.92364800    -2.50596900     0.83697100     
H    -2.06790300    -0.62330600    -1.42663800     
H    -3.21052900     0.86749600     0.04610300     
H    -1.42964800    -0.54410700     1.54640400     
H     2.92055100    -0.06807000    -1.10505600     
H     4.32076500    -0.98397800     0.76007200     
H     2.80733100    -1.37716800     1.70815300     
H     1.98835300    -2.85307400    -0.14702700     
H     3.49860100    -2.48876200    -1.11862900     
H     2.46870100     1.90978600    -0.41639700     
H    -1.09658000     2.93140500     0.09969900     
030
G14_04135 
C    -0.48317900     0.97706500     1.87262700     
N    -0.50034700     1.32613500     0.45837200     
C    -0.74431600     2.61983900     0.08236900     
O    -0.76821600     3.03583600    -1.05725100     
C    -0.26464600     0.33562600    -0.59465400     
C     1.10052700    -0.39634600    -0.53117700     
C     2.31031400     0.44997200    -0.09979400     
C     3.55622200    -0.30878400    -0.13689300     
C     4.56671400    -0.95880000    -0.17136000     
C     0.79811600    -1.63894500     0.34509200     
O    -0.62651000    -1.75131000     0.42034800     
C    -1.20772300    -0.88048700    -0.55504400     
C    -2.68382600    -0.65734000    -0.22950500     
N    -3.49336700    -1.87549500    -0.19874800     
H    -0.86865300     1.82266100     2.44777500     
H    -1.10298600     0.10236200     2.07272600     
H     0.52855500     0.75866800     2.23325000     
H    -0.92549400     3.27151500     0.95881100     
H    -0.36802600     0.89366200    -1.52567600     
H     1.30052900    -0.74348100    -1.55028100     
H     2.38887100     1.32211800    -0.76051800     
H     2.16160500     0.84822900     0.90992900     
H     5.46765900    -1.52008500    -0.19941600     
H     1.22643500    -2.55058700    -0.08826900     
H     1.18958300    -1.53766200     1.36416700     
H    -1.15357300    -1.36112300    -1.54974200     
H    -2.78375900    -0.16089600     0.74039300     
H    -3.10079700     0.02772200    -0.97661700     
H    -3.48680100    -2.31338400    -1.11642100     
H    -3.04855500    -2.54120600     0.42776900     
028
G14_04159 
C    -3.28948800    -0.79033600     0.92349400     
C    -2.41074600    -1.26016700    -0.20689100     
O    -2.31725300    -0.43766800    -1.39194900     
C    -1.12823100    -0.65164700    -0.59404500     
C    -0.60522900     0.61521200     0.03070800     
O    -1.54406700     1.66788700     0.00674800     
C     0.30922600     0.65563600     1.23644800     
N     1.02746600    -0.57331300     1.54181200     
C     2.29877100    -0.58989900     0.80762900     
C     2.48888700    -1.75792500    -0.19438000     
N     1.91474700    -0.90977500    -1.27159100     
C     2.04145300     0.31176800    -0.42948700     
C     0.82001700     1.16148400    -0.10921500     
O     0.94943100     2.50904600    -0.42205400     
H    -3.11191600     0.25841900     1.16400700     
H    -4.34552100    -0.92217200     0.66441100     
H    -3.08883200    -1.39315400     1.81585800     
H    -2.52541100    -2.31710300    -0.45463800     
H    -0.37231100    -1.26572800    -1.06972100     
H    -2.16116400     1.41815400    -0.70176200     
H     0.04882000     1.33846700     2.04167400     
H     1.13643600    -0.71200000     2.53580300     
H     3.16656200    -0.35769600     1.43396700     
H     3.54684800    -2.01433100    -0.33602000     
H     1.91803700    -2.66910600     0.01155300     
H     2.43757100    -0.88999300    -2.13901400     
H     2.86013600     0.98190300    -0.71036600     
H     0.04240400     2.84709000    -0.47481500     
028
G14_04343 
C    -3.43213900     0.49481100     0.99588600     
N    -2.16821700     0.86398300     0.39349700     
C    -0.93222300     0.81787300     1.18661900     
C    -0.14763800     0.42653100    -0.10632500     
C     0.40458100     1.57975800    -0.80159300     
C     0.86492000     2.51863700    -1.39586500     
C     0.87950400    -0.72070800     0.00093500     
N     1.25598600    -1.10472100    -1.35265200     
C     2.00076000    -0.36227300     0.98294000     
C     3.35716300    -0.94775700     0.86095000     
N     3.13942300     0.48885300     0.61703100     
C    -1.57475200     0.06187700    -0.69341600     
C    -1.89776400    -1.37108700    -0.64836800     
N    -2.21308500    -2.48108000    -0.56718200     
H    -3.43709000    -0.52026700     1.42689700     
H    -3.66456900     1.21115600     1.78995100     
H    -4.22821200     0.55313200     0.24704100     
H    -0.66107000     1.75958600     1.67020400     
H    -0.90990700     0.00238400     1.92816100     
H     1.26514000     3.36272400    -1.90178000     
H     0.35116600    -1.57710700     0.43633100     
H     1.77001100    -0.36854700    -1.82538400     
H     1.80892700    -1.95297000    -1.36429900     
H     1.63453200    -0.16436200     1.98982400     
H     3.93134300    -1.18368800     1.75217000     
H     3.56254800    -1.58889900     0.00767300     
H     3.12660000     0.67264300    -0.38367900     
H    -1.78263800     0.43900800    -1.69853900     
028
G15_00014 
N    -2.89134800    -1.85850900    -0.09968400     
C    -2.76142500    -0.49128700     0.06276700     
N    -3.74334800     0.19155900     0.50830900     
C    -1.42786300     0.07595600    -0.45495900     
C    -1.34545500     1.61367500    -0.37069600     
C     0.00079000     2.16372500    -0.85048700     
C     1.14622400     1.57018500    -0.02420900     
O     0.96529400     1.78561700     1.36863900     
C     1.16683300     0.05294300    -0.19483800     
N     1.65160900    -0.39164900    -1.54780400     
C     2.64045000    -1.34771400    -0.96710700     
C     2.37075000    -0.72301100     0.40654100     
O     2.90337700    -0.75614100     1.46880300     
C    -0.17925700    -0.60814800     0.13514700     
O    -0.20390100    -1.67829400     0.70351200     
H    -3.73118800    -2.20884400     0.34299400     
H    -2.05830600    -2.37946900     0.14365800     
H    -3.55206600     1.18905500     0.49543500     
H    -1.38741000    -0.19944800    -1.52248700     
H    -2.15848000     2.04368100    -0.96240600     
H    -1.49655700     1.91862300     0.66920800     
H     0.17344700     1.93223300    -1.90863200     
H     0.00995900     3.25677600    -0.76213700     
H     2.11077400     1.96849400    -0.36809900     
H     1.04429600     2.72802600     1.54725200     
H     0.94266200    -0.83916000    -2.11929300     
H     2.34597400    -2.40418000    -0.99565100     
H     3.65407800    -1.24299300    -1.36616200     
028
G15_00234 
C    -4.76493600    -0.02157200     0.32344400     
O    -3.67588500     0.57451900    -0.40186300     
C    -2.48436300    -0.01338300    -0.26817800     
O    -2.31430000    -1.00351400     0.41079300     
C    -1.43257700     0.74640400    -1.08398300     
N    -0.08496400     0.25797500    -1.11001000     
C     0.75509400     0.35199400     0.03879200     
C     0.91017700     1.68877600     0.54862000     
N     1.02307400     2.76301500     0.96877700     
C     0.91289800    -0.81345900     1.05829300     
O     0.17064500    -1.96087200     0.90607000     
C     2.00172500    -0.58512100     0.05090400     
N     2.03271500    -1.50047900    -1.05279500     
C     3.34387400    -0.03595500     0.49084700     
O     4.07617700     0.49719900    -0.60275500     
H    -4.92150500    -1.05241800    -0.00213700     
H    -4.55747300    -0.01371900     1.39578400     
H    -5.63747700     0.58983500     0.09667200     
H    -1.81467300     0.79926400    -2.10983200     
H    -1.44854500     1.78105800    -0.71731800     
H     0.10195000    -0.59770500    -1.61835400     
H     1.12007500    -0.50879500     2.08618700     
H    -0.76489500    -1.71024200     0.77002800     
H     2.90365100    -1.39475300    -1.56013000     
H     1.90497000    -2.45495200    -0.73652300     
H     3.22092000     0.70094900     1.29508300     
H     3.94944300    -0.86187700     0.88148700     
H     3.64334600     1.31500500    -0.87314700     
036
G15_00356 
C    -3.95809800    -1.23304800     0.78619900     
C    -3.49919700    -0.36966700    -0.38784800     
C    -4.66125100     0.30645900    -1.10981500     
O    -2.62956000     0.67288900     0.08269600     
C    -1.27058700     0.48329500    -0.11149500     
C    -0.57938900     1.80793300     0.24014000     
C     0.87450000     1.68083300     0.71705100     
C     1.75386400     0.72444400    -0.09203200     
O     3.09977100     1.16338600     0.09077100     
C     4.04389700     0.37843200    -0.61580800     
C     3.97335100    -1.08382400    -0.17633200     
N     2.61603900    -1.62482100    -0.28544400     
C     1.63081300    -0.74706800     0.35796900     
C     0.24173200    -1.35738100     0.13891400     
O    -0.81838300    -0.60342400     0.69273000     
H    -4.62983000    -2.02694500     0.44267100     
H    -3.09762200    -1.68344100     1.28327900     
H    -4.49669200    -0.61890800     1.51523000     
H    -2.94400500    -0.99536400    -1.10180400     
H    -5.19523900     0.97149500    -0.42360300     
H    -4.30096700     0.90411300    -1.95190800     
H    -5.36889000    -0.43781200    -1.48801300     
H    -1.06994800     0.20821600    -1.16521700     
H    -0.63712800     2.45762600    -0.64075800     
H    -1.17457300     2.28654500     1.02328900     
H     1.34703600     2.66707100     0.67845000     
H     0.89383500     1.36561900     1.76545200     
H     1.50673500     0.79086600    -1.17016800     
H     3.85784100     0.44868500    -1.70313500     
H     5.02668800     0.81546300    -0.41012300     
H     4.65543000    -1.70055600    -0.77193900     
H     4.28736600    -1.15891900     0.87225000     
H     2.37899600    -1.71742300    -1.27151900     
H     1.84516500    -0.75866600     1.43577500     
H     0.07450600    -1.50620200    -0.94293100     
H     0.21658900    -2.34297000     0.61159300     
028
G15_00607 
O    -4.43610900     0.99421200     0.16102900     
C    -4.13335200    -0.33442500     0.52669500     
C    -2.88164100    -0.83732600    -0.19367200     
N    -1.79469600     0.09100200     0.09300400     
C    -0.58940900    -0.26854600    -0.01782000     
O    -0.25427000    -1.50719500    -0.49094400     
C     0.98817900    -2.10109200    -0.10828700     
C     2.16904300    -1.13616300    -0.20574100     
O     2.38597000    -0.67805800    -1.52859400     
C     1.83467700     0.07664000     0.63178900     
C     2.32608000     0.17374100     2.01504500     
O     2.90486600     0.94736500     0.96084000     
C     0.52044400     0.73955900     0.22772200     
C     0.69426500     1.60960100    -1.03764100     
O     0.92503600     2.78465600    -0.97780300     
H    -3.59764500     1.47069600     0.22409500     
H    -3.98422900    -0.42908800     1.61569200     
H    -4.99598000    -0.95263000     0.25540600     
H    -2.64278300    -1.86790300     0.09961900     
H    -3.07003700    -0.83845200    -1.27569900     
H     0.91479600    -2.48983100     0.91645200     
H     1.12023500    -2.95199300    -0.78369000     
H     3.06428600    -1.62926000     0.20001200     
H     2.49241100    -1.43578300    -2.11308000     
H     1.74597500     0.73444200     2.74567100     
H     2.96566300    -0.60617400     2.42656500     
H     0.19736900     1.42480600     1.01194600     
H     0.57914700     1.07437100    -1.99876400     
035
G15_00853 
C    -2.39684900    -2.10919500    -0.49365900     
C    -2.46729200    -0.57548500    -0.43011400     
C    -3.93420100    -0.12000700    -0.47187600     
C    -1.74748100     0.00455700     0.81657000     
C    -0.31309400     0.50761500     0.60175500     
C     0.20699100     1.42539300     1.73595300     
O     0.40578700     2.52859400     0.83598600     
C    -0.19866200     1.80996600    -0.28231300     
C     0.68253400     1.77254100    -1.50078500     
C     1.73513900     0.95252700    -1.55990900     
C     1.99214900     0.05447000    -0.39381500     
O     2.78619700    -1.08051000    -0.69284300     
C     2.54200600    -2.04129800     0.34340300     
C     1.20108400    -1.65591800     1.03656400     
C     0.67147200    -0.54958700     0.11279500     
H    -2.87738300    -2.48693700    -1.40233000     
H    -1.36864100    -2.48052200    -0.48478700     
H    -2.91625500    -2.55263900     0.36443000     
H    -1.97336900    -0.17524300    -1.32661200     
H    -4.47517500    -0.46443600     0.41784400     
H    -4.01395000     0.97154800    -0.50624900     
H    -4.45009300    -0.52333900    -1.34970900     
H    -2.33092800     0.85180600     1.19660100     
H    -1.75071700    -0.74123000     1.62359300     
H    -0.54094400     1.65056900     2.50836600     
H     1.14056700     1.13174500     2.23165900     
H    -1.17417200     2.25076500    -0.52413900     
H     0.45634500     2.45375200    -2.31565400     
H     2.40658900     0.91464000    -2.41178600     
H     2.47166000     0.63772900     0.41280100     
H     2.50459600    -3.02889500    -0.12670400     
H     3.37306600    -2.03929900     1.06174600     
H     0.52250900    -2.50762900     1.12396300     
H     1.38310600    -1.27454500     2.04667600     
H     0.23453700    -1.02597800    -0.77226400     
031
G15_01451 
C    -1.13291000     2.45908000     1.28944900     
C    -1.06905400     2.19821200    -0.19919100     
C     0.16758500     1.69138700    -0.91864500     
N     1.29039400     1.20339400    -0.16759400     
C     1.94440100     0.03276700    -0.77418700     
C     3.42395700     0.00261700    -0.38237900     
C     1.23748100    -1.29124900    -0.39463800     
C     1.21175200    -1.67353500     1.08676800     
C     0.26135800    -0.76435100     1.85574500     
O    -0.99292400    -0.58054300     1.18981200     
C    -1.06233600    -0.54641400    -0.21655500     
O    -0.11386500    -1.36591800    -0.87671400     
C    -2.37759800    -1.18717200    -0.52342600     
N    -3.40521100    -1.65077000    -0.77084300     
C    -1.07675300     0.84306000    -0.87347800     
H    -0.41822000     1.85984000     1.84878700     
H    -0.91469500     3.51503300     1.48421600     
H    -2.13180500     2.24670400     1.68135100     
H    -1.62192400     2.93706200    -0.77509200     
H     0.39430700     2.14200500    -1.88907400     
H     1.96586400     1.94408000    -0.01659400     
H     1.88505000     0.09060300    -1.87477000     
H     3.54924400     0.05386700     0.70376000     
H     3.91063700    -0.90913800    -0.74021400     
H     3.95197100     0.85488300    -0.82232300     
H     1.74446100    -2.08093300    -0.95939200     
H     0.86887200    -2.71126300     1.14885600     
H     2.20728400    -1.62652300     1.53761300     
H    -0.00425900    -1.20288200     2.82191300     
H     0.73341800     0.20608500     2.02490800     
H    -1.62946800     0.79748400    -1.80644500     
021
G15_01610 
N    -1.46542500     0.98494100     2.18173000     
C    -2.02550600     0.95454600     0.87711500     
C    -1.17367600     1.03119400    -0.36561800     
C     0.23873200     0.58501700    -0.27039300     
C     0.26931200    -0.73196500     0.07179800     
N    -0.97147200    -1.29676000     0.28796200     
C    -1.96342700    -0.27728700    -0.05531200     
C    -3.11132900    -0.72886100    -0.77301000     
N    -4.05051600    -1.10686100    -1.33521200     
N     1.45661500    -1.39901400     0.23023200     
C     2.59174100    -0.65913500    -0.00517200     
F     3.67895600    -1.39150300     0.18456300     
N     2.66332200     0.55064100    -0.35371900     
C     1.46552100     1.31480600    -0.54819300     
O     1.51480300     2.46422300    -0.92461700     
H    -1.87739200     0.29327000     2.79741300     
H    -0.46114500     0.85388600     2.16824600     
H    -2.97502200     1.47598100     0.78597300     
H    -1.46394300     1.71167100    -1.15730900     
H    -1.15048400    -2.22917300    -0.06163100     
H     1.52306900    -2.35641100     0.53893600     
028
G15_01796 
O     4.06436700    -0.47205800     0.42480900     
C     2.91564500    -0.41173000    -0.39794900     
C     1.92276700    -1.52962200    -0.25352100     
C     0.70301600    -1.02780100    -0.01631600     
C    -0.51834900    -1.84776600     0.27914900     
O    -1.62932600    -1.48191300    -0.52027600     
C    -2.86409500    -1.24128800     0.12488000     
O    -3.37577700     0.01704300    -0.17033900     
C    -2.54730700     1.15081800     0.04902600     
C    -1.41866000     1.39414000    -0.99455900     
C    -0.35498200     1.35261100     0.14590000     
C    -1.48672700     1.12791300     1.19393300     
N     0.72849000     0.39293500     0.03969500     
C     2.03582300     0.84032500    -0.14759400     
O     2.39650100     1.99309900    -0.11128200     
H     3.76959600    -0.52542700     1.34081300     
H     3.30329600    -0.34098700    -1.42217600     
H     2.16485500    -2.57922400    -0.32997200     
H    -0.25919200    -2.89742400     0.09377500     
H    -0.77436000    -1.76680500     1.34598400     
H    -3.61415300    -1.94485700    -0.25269700     
H    -2.74039500    -1.39395100     1.21008700     
H    -3.25142400     1.98059400     0.13395900     
H    -1.33271500     0.59578000    -1.72870500     
H    -1.47558700     2.35632500    -1.50936100     
H     0.15722400     2.30550300     0.27964100     
H    -1.59201100     1.95375400     1.90120300     
H    -1.42346700     0.21119800     1.77860300     
028
G15_01964 
N     0.94304800    -1.30733600     1.51808600     
C     0.90169300    -0.90361100     0.30468400     
N    -0.12731000    -1.30506100    -0.54234400     
C    -1.51051500    -1.35104200    -0.19168200     
C    -2.02454500    -0.94289800     1.13931800     
C    -2.25655400     0.05037100     0.00972000     
C    -1.34956200     1.20422700    -0.21259500     
C    -0.39888200     1.59565900     0.63631400     
C     0.85132300     2.31692200     0.23484200     
C     2.08233800     1.37738500     0.37825900     
C     1.94952200     0.00621600    -0.35308000     
C     3.32090400    -0.66474300    -0.36187900     
O     4.10095400    -0.56944000    -1.27142300     
C    -3.57834600     0.13408900    -0.54849200     
N    -4.63672200     0.19311500    -1.01416900     
H     1.74203900    -0.90978600     2.00901400     
H     0.00691000    -1.00794700    -1.49775900     
H    -2.07941600    -2.08521000    -0.75200700     
H    -2.90275900    -1.46627900     1.49858600     
H    -1.29981200    -0.69913800     1.90333000     
H    -1.35247000     1.59151500    -1.23125900     
H    -0.41477000     1.22503000     1.65784300     
H     0.77384500     2.66300000    -0.80195600     
H     1.03868800     3.19849400     0.86027500     
H     2.96595100     1.89066000    -0.01568700     
H     2.27401000     1.19343800     1.44211600     
H     1.69778300     0.20505700    -1.40046500     
H     3.56500800    -1.24378600     0.55588700     
036
G15_02109 
C    -1.07158900    -0.96357800     2.39006300     
N    -0.77574000    -0.03508300     1.31759300     
C    -1.93536400     0.61356500     0.62610300     
C    -1.63092800     2.10295800     0.40969300     
N    -0.49468100     2.40240300    -0.46281600     
C     0.76821200     1.71672700    -0.19981200     
C     0.87257700     0.19869400    -0.53608400     
C     2.17766300    -0.39566800     0.01333500     
O     2.24990500    -1.75348300    -0.40443200     
C     3.44437700     0.32440000    -0.44957300     
O     4.53931400    -0.45052100     0.04197100     
C    -0.32731700    -0.60251300     0.00911900     
C    -1.69585000    -0.25406300    -0.63209200     
C    -2.64433500    -1.43334300    -0.81698700     
N    -3.98557800    -0.95429200    -1.17002300     
H    -0.14731400    -1.45449200     2.71320500     
H    -1.47155900    -0.41263800     3.24883800     
H    -1.79939500    -1.75576900     2.13546000     
H    -2.90224600     0.47513700     1.12322400     
H    -2.50917500     2.60337700    -0.01559500     
H    -1.44208600     2.55329300     1.39312700     
H    -0.75684900     2.30441200    -1.43615800     
H     1.54361700     2.24969300    -0.76310000     
H     0.99055800     1.84757300     0.86422200     
H     0.89320700     0.06902300    -1.62823500     
H     2.14633000    -0.34056900     1.11575700     
H     3.15636600    -2.02979800    -0.21877200     
H     3.45730000     0.36889800    -1.54898200     
H     3.48490400     1.34763900    -0.05475900     
H     5.34307100    -0.16189400    -0.39825900     
H    -0.08396800    -1.66871600     0.03333000     
H    -1.63950100     0.30032900    -1.57725800     
H    -2.20387000    -2.12664600    -1.55603400     
H    -2.72992900    -1.99534500     0.11965600     
H    -3.96622600    -0.53855700    -2.09753000     
H    -4.62967500    -1.73720300    -1.22831000     
039
G15_02252 
C    -2.83915700     2.69076000    -0.25697600     
C    -2.28154100     1.40385000     0.34983000     
N    -1.04807700     1.03247800    -0.32849400     
C    -0.27987900    -0.15007600     0.03196900     
C    -0.47330500    -0.73217300     1.46610600     
C    -0.45216900    -2.16979900     0.86006600     
C    -0.69250600    -1.55398100    -0.55281200     
C    -2.15293500    -1.65733500    -0.98460600     
O     0.13108400    -1.98179600    -1.63589400     
C     0.67752400    -0.20702000     2.35244300     
C     1.43597300     0.78541700     1.44126600     
C     1.29129200     0.20999100     0.01503600     
N     2.23102400    -0.91585800    -0.09530900     
C     1.64688000     1.20012800    -1.11408900     
C     3.08100700     1.73581900    -1.05468400     
H    -2.10107500     3.49607800    -0.20032900     
H    -3.10195900     2.54744700    -1.31192100     
H    -3.74515000     3.00604600     0.26885900     
H    -2.05846400     1.58035500     1.40839000     
H    -3.07073300     0.63180700     0.32466500     
H    -1.14629300     1.11324200    -1.33298000     
H    -1.45133800    -0.51992200     1.89850900     
H     0.52032600    -2.65707200     0.93908700     
H    -1.22252000    -2.85883200     1.21876100     
H    -2.84319300    -1.41425800    -0.17408700     
H    -2.36249200    -0.99721200    -1.83155300     
H    -2.37015800    -2.68848700    -1.29404500     
H    -0.22257800    -2.81015900    -1.97786500     
H     0.30863300     0.27776300     3.26118900     
H     1.32584800    -1.02533500     2.68722500     
H     0.95059000     1.76549300     1.47965100     
H     2.48405600     0.91323500     1.72289100     
H     2.29213400    -1.44766300     0.76343000     
H     1.94170500    -1.54862700    -0.83213600     
H     1.49905800     0.67790000    -2.06970100     
H     0.94205700     2.03346100    -1.09256800     
H     3.23979900     2.36137800    -0.16950600     
H     3.79947300     0.91398900    -1.02070500     
H     3.29586300     2.35392200    -1.93277600     
032
G15_02320 
C    -3.08517700     0.15591100    -1.38864500     
O    -1.69492400    -0.04730100    -1.19457200     
C    -1.21025500    -0.17770900     0.14781600     
C    -2.21259000    -0.72079200     1.06229200     
C    -3.00629200    -1.16375900     1.85024600     
C     0.05412500    -1.10008900     0.08479300     
C    -0.09979700    -2.30512900    -0.83877400     
C     1.18769200    -0.12498200    -0.25009700     
C     0.89462800     1.05898700     0.70134700     
O     1.57207400     2.25325600     0.38821200     
C    -0.65875500     1.23318700     0.65075300     
N    -0.97787200     2.36069500    -0.22187100     
C     2.60098000    -0.63921900    -0.07158600     
N     3.55192000     0.26811000    -0.50544900     
N     2.81200600    -1.80105900     0.42132200     
H    -3.45382400     1.05544100    -0.87726800     
H    -3.22135100     0.27890200    -2.46602500     
H    -3.67246200    -0.70196100    -1.04497600     
H    -3.70375200    -1.56322100     2.54489300     
H     0.23281500    -1.46770900     1.10091000     
H    -0.23873600    -1.99499500    -1.87701100     
H     0.79535200    -2.92446700    -0.76361400     
H    -0.96698400    -2.90703100    -0.54702000     
H     1.07691600     0.23568700    -1.28184000     
H     1.18977300     0.75663700     1.71444300     
H     0.88484800     2.80515200    -0.03624000     
H    -1.04259700     1.45080200     1.64777100     
H    -1.15449200     2.01943000    -1.16224500     
H    -1.80181600     2.85724200     0.09240800     
H     3.26028500     1.23878800    -0.47029900     
H     4.49544400     0.10726800    -0.18346700     
H     3.81363800    -1.98625800     0.51357200     
027
G15_02345 
C     3.85277600     0.42838800     0.27684100     
C     2.42044100     0.19052300    -0.18822100     
O     1.93872300     1.29373000    -0.94201800     
C     2.23217400    -1.07310400    -1.10345300     
N     0.80357500    -1.47974500    -0.98787300     
C     0.42878600    -0.94968800     0.10013100     
C     1.40651800    -0.17214800     0.92578200     
N     0.59126600     0.83168200     1.62275600     
C    -0.62088300     0.45664100     1.43788400     
N    -0.82789500    -0.69015700     0.64137900     
C    -2.02948300    -1.15337100     0.03344400     
C    -3.38501400    -0.87301100     0.58556600     
C    -2.99073500    -0.24887500    -0.75298800     
C    -2.76289900     1.16434000    -0.80800200     
N    -2.57282700     2.30568000    -0.83018600     
H     4.24501700    -0.42956700     0.83251100     
H     4.49983800     0.61072300    -0.58607000     
H     3.90248700     1.30779700     0.92754100     
H     1.67773100     1.98269100    -0.31896900     
H     2.45808000    -0.82950100    -2.14488700     
H     2.89762400    -1.88746800    -0.78882900     
H     1.90156000    -0.80553500     1.67617300     
H    -1.47782700     0.96899200     1.85848300     
H    -1.86785400    -2.12136100    -0.42599700     
H    -4.12113900    -1.66800900     0.57005800     
H    -3.47596800    -0.19537000     1.42616300     
H    -3.41824600    -0.67362300    -1.65447300     
037
G15_02497 
C    -2.53295100    -0.80747100     1.76428000     
C    -1.21009000    -0.44317700     1.07813900     
C    -0.77211000    -1.38058500    -0.06373100     
C    -1.54748900    -1.15720000    -1.40010100     
C    -2.59919700    -0.03205400    -1.36266800     
C    -2.14450100     1.24860800    -0.62341400     
C    -1.13880500     0.99668000     0.53797900     
C     0.32516700     1.34098900     0.16046900     
C     0.80855600     2.61847600     0.82663400     
N     0.81873700     1.16433200    -1.22479000     
C     1.27000700     0.22377700    -0.17476000     
C     2.74700900     0.34364500     0.19413800     
N     3.54447100    -0.73776400    -0.41842500     
C     0.75622900    -1.23257500    -0.22595100     
O     1.35613800    -1.99951100     0.80803400     
H    -3.40244900    -0.75384100     1.10549500     
H    -2.48319500    -1.82766000     2.16002400     
H    -2.72127400    -0.13486400     2.60899200     
H    -0.43696400    -0.53652700     1.85018700     
H    -0.90915300    -2.41755100     0.25545600     
H    -0.83250700    -0.96472600    -2.21016000     
H    -2.04655100    -2.08681300    -1.69254800     
H    -2.89821100     0.21903400    -2.38636700     
H    -3.50411000    -0.41811800    -0.88495900     
H    -1.69881900     1.95550300    -1.33192100     
H    -3.03341000     1.75157100    -0.22981800     
H    -1.40195800     1.67836300     1.35334800     
H     0.83778200     2.50605100     1.91662800     
H     1.79809700     2.91665500     0.47870600     
H     0.11772800     3.43853100     0.59761400     
H     0.11193300     0.73259400    -1.81226300     
H     3.09874600     1.34123400    -0.09122400     
H     2.85446600     0.24487300     1.27982200     
H     3.52353100    -0.64594800    -1.43048400     
H     4.51718700    -0.64423400    -0.14344400     
H     1.04483000    -1.65353700    -1.20357100     
H     2.30179500    -2.00515400     0.58263400     
033
G15_02701 
C    -0.85861000     0.37119900     2.25377800     
C    -1.34487300     0.52193900     0.80895300     
C    -0.67858600     1.62675200    -0.08451600     
C     0.34460300     2.56893300     0.57302100     
N     0.85955400     3.62119500    -0.30559000     
N    -0.16071000     1.00553300    -1.32588000     
C     0.90813600    -0.01530400    -1.26791700     
C     1.88022300    -0.32043000    -0.14645300     
C     2.56301900    -1.67590400    -0.37923500     
O     3.54955800    -1.95701100     0.60188000     
C    -0.52619000    -0.41563200    -1.33498900     
C    -1.26398300    -0.81333500    -0.04632200     
O    -0.53819700    -1.86791800     0.59935000     
C    -2.61319600    -1.29402900    -0.36302700     
C    -3.72075800    -1.70494200    -0.58805300     
H     0.20221200     0.13167300     2.33898500     
H    -1.03908600     1.29720200     2.80767000     
H    -1.41571400    -0.42175000     2.76349300     
H    -2.40533800     0.77682400     0.87501000     
H    -1.49043700     2.27438500    -0.44251100     
H    -0.12605900     3.05073200     1.43773500     
H     1.19688700     2.00483700     0.96113500     
H     1.20716000     3.19021000    -1.15848900     
H     0.08885100     4.21389000    -0.60507800     
H     1.41306100    -0.04913600    -2.23479800     
H     2.65683000     0.45270800    -0.11014400     
H     1.38928700    -0.34854100     0.82568700     
H     1.79991200    -2.46378600    -0.42387300     
H     3.09353400    -1.66893500    -1.33819200     
H     3.09276700    -2.10664600     1.43550200     
H    -0.93683900    -0.82027600    -2.25570200     
H    -1.15063400    -2.33138800     1.18067200     
H    -4.69789100    -2.06514300    -0.79808700     
030
G15_02946 
C     3.97677700     0.66643800     0.28279300     
C     2.84764000    -0.34757300     0.16862500     
C     3.16298400    -1.65359100    -0.54228200     
C     2.97475400    -1.62952600     0.95462800     
C     1.49730300     0.23664400    -0.06320400     
C     0.38208300     0.02675700     0.64362400     
C    -0.80034600     0.82577700     0.13541400     
O    -1.09789900     1.90683300     1.03946500     
C    -0.29718900     1.32052200    -1.25140100     
C     1.24135900     1.19607200    -1.21310300     
C    -2.07601500     0.03906200     0.05148300     
C    -3.21304700     0.15806400     0.81470500     
N    -4.03355300    -0.79941900     0.32215000     
N    -3.45522100    -1.47938200    -0.68475700     
N    -2.26831700    -0.96968900    -0.84760800     
H     4.93737300     0.16154200     0.42290700     
H     4.05566000     1.28439100    -0.61798200     
H     3.82269900     1.33578900     1.13690700     
H     2.37923400    -2.10744900    -1.13841900     
H     4.16507400    -1.78385000    -0.93790300     
H     3.85062500    -1.74683200     1.58394300     
H     2.07741300    -2.08725700     1.35367300     
H     0.29721400    -0.59318600     1.52843900     
H    -0.25372900     2.23005900     1.37077700     
H    -0.70295600     0.66424800    -2.02433600     
H    -0.65734800     2.33443000    -1.43998900     
H     1.73546200     2.15993100    -1.03283900     
H     1.65182400     0.81731400    -2.15592700     
H    -3.48215400     0.82148500     1.61652800     
H    -4.97139000    -1.03772100     0.60231300     
035
G15_03119 
C    -4.65501800     1.18979200    -0.00403800     
O    -3.33539500     0.85158200    -0.35865600     
C    -2.83568000    -0.25020700     0.37152300     
C    -1.41133400    -0.49261300    -0.02484700     
N    -1.09669400    -1.19678000    -1.28712900     
C    -0.75411100    -1.82087300     0.01227300     
C     0.66696000    -1.49991600     0.55802600     
N     0.42088400    -0.37435700     1.49996700     
C    -0.29655500     0.45729200     0.49365800     
C     0.85317800     0.65362800    -0.52736000     
C     1.75924300     1.81660600    -0.05362700     
C     3.25867200     1.59992500    -0.27628300     
C     3.68734000     0.27702200     0.36420800     
C     3.02996900    -0.88835900    -0.38036400     
C     1.49660400    -0.79310700    -0.54443200     
H    -5.35584500     0.36158500    -0.19688300     
H    -4.73581100     1.46362600     1.06015700     
H    -4.94758200     2.04817400    -0.61314200     
H    -2.90035100    -0.04696100     1.45572900     
H    -3.44368000    -1.15235000     0.17661600     
H    -1.94809500    -1.62013700    -1.65607500     
H    -1.26803200    -2.72895100     0.31466400     
H     1.15952700    -2.35152800     1.03054200     
H    -0.22795400    -0.67085200     2.22909400     
H    -0.68774100     1.38837300     0.90670200     
H     0.45273300     0.87221600    -1.51857800     
H     1.42903800     2.74363000    -0.53711600     
H     1.61257700     1.95389000     1.02381300     
H     3.49651600     1.58184000    -1.34953000     
H     3.81477400     2.44160300     0.15241300     
H     4.77702600     0.16182500     0.33322900     
H     3.39033700     0.27262100     1.42011100     
H     3.47509700    -0.92867100    -1.38357000     
H     3.28522400    -1.84332500     0.09561500     
H     1.24045800    -1.25643800    -1.49683100     
032
G15_03152 
C    -3.90964100    -1.47323300     0.57415700     
O    -2.70267400    -1.65769700    -0.13250600     
C    -1.67503900    -0.73026600     0.18107200     
C    -0.33758600    -1.43906500    -0.11332400     
C     0.75117600    -0.39948600    -0.35222100     
C     0.70044800     0.75650600     0.68036800     
O     0.08540500     1.94550500     0.18202400     
C    -1.18784000     1.90502000    -0.29731000     
O    -1.74288900     2.94649900    -0.52093500     
C    -1.88428700     0.57105800    -0.63745200     
C     2.21049300     0.90448800     0.93685200     
C     2.56227800    -0.56942900     1.27051100     
C     2.27377200    -0.71605000    -0.25239500     
C     2.83868600    -1.81982100    -1.10903400     
N     2.87872500     0.66048600    -0.37406400     
H    -4.58523000    -2.27475100     0.26632700     
H    -3.75420400    -1.53712500     1.66212300     
H    -4.39095300    -0.50979500     0.35176500     
H    -1.73590600    -0.48846500     1.25311800     
H    -0.09316500    -2.10483100     0.72198000     
H    -0.48057300    -2.07104400    -0.99579700     
H     0.59403800     0.03329300    -1.34711100     
H     0.19212700     0.47762900     1.60970100     
H    -1.65258300     0.36153600    -1.68964500     
H    -2.94462700     0.82874500    -0.61708100     
H     2.54208000     1.75087500     1.53761000     
H     3.62031400    -0.69312100     1.49912900     
H     1.93519200    -1.11396000     1.98016200     
H     2.40157600    -2.78682900    -0.83841200     
H     2.62390800    -1.64192900    -2.16925300     
H     3.92340800    -1.88301300    -0.98899700     
H     2.48002800     1.21659700    -1.13317100     
033
G15_03459 
C     2.34643400    -0.66326900    -1.96929400     
C     2.80745600    -0.36388500    -0.53219300     
C     4.06400900     0.52038100    -0.53921400     
C     1.68221900     0.22523700     0.36540900     
C     0.96681700     1.41091200    -0.30154200     
O     0.34749300     2.22184800     0.70415900     
C     0.71023000    -0.89564500     0.85623500     
C     1.30561000    -1.67167500     2.03673300     
N    -0.61999300    -0.38751800     1.25243500     
C    -1.65040300    -0.45217400     0.32965100     
C    -2.54513900     0.50590200    -0.04071300     
O    -2.62755100     1.83545100     0.19495000     
O    -3.44856600    -0.05533700    -0.91921800     
C    -3.02046200    -1.32732600    -1.04389800     
N    -1.97544300    -1.62759400    -0.34347300     
H     3.12562800    -1.20656100    -2.51367000     
H     1.43961400    -1.27549500    -1.99546300     
H     2.14425800     0.25717200    -2.52810700     
H     3.09745100    -1.32158300    -0.08220800     
H     3.86705100     1.50546400    -0.97625400     
H     4.44504400     0.67704800     0.47519100     
H     4.86168900     0.05687400    -1.12938200     
H     2.16452000     0.64785500     1.25827100     
H     1.69357200     2.02236600    -0.85285000     
H     0.22336300     1.05841900    -1.02559300     
H    -0.50613200     2.52013400     0.37053400     
H     0.53153400    -1.59590900     0.03493000     
H     1.40521100    -1.01729900     2.91018200     
H     0.64912200    -2.50135700     2.31040600     
H     2.29590700    -2.07580300     1.80468700     
H    -0.53722000     0.54976500     1.62979900     
H    -3.31861600     2.02673700     0.84272800     
H    -3.58558000    -1.96850400    -1.70210600     
039
G15_03642 
C     0.52351200     3.14920400     0.02418700     
C    -0.45882200     2.04782700    -0.39369500     
C     0.01234600     0.58270600    -0.21410300     
C    -1.07924100    -0.43860600    -0.65454000     
C    -2.50974800    -0.49322100    -0.03238500     
C    -3.47113500     0.51022900    -0.70370300     
C    -3.04916400    -1.91140600    -0.32420900     
C    -2.53025300    -0.28267600     1.49366900     
C     1.29793200     0.29127200    -1.05268500     
C     2.31963200    -0.37302100    -0.08706600     
C     3.78513800    -0.10527900    -0.46940500     
C     1.90726600     0.26317400     1.25854200     
N     0.45583200     0.28829300     1.17289400     
C     2.10351500    -1.82714300    -0.03454800     
N     1.97122800    -2.97568000    -0.01058400     
H     0.06390100     4.13277200    -0.11329800     
H     0.79901800     3.06469300     1.08034700     
H     1.44761800     3.14200700    -0.56206000     
H    -1.37589800     2.18311600     0.18771600     
H    -0.74646100     2.19258700    -1.44289300     
H    -1.20931300    -0.33303800    -1.74055400     
H    -0.61992200    -1.42052900    -0.49878200     
H    -3.50783000     0.35313300    -1.78762400     
H    -4.48810700     0.37774900    -0.31723300     
H    -3.19149100     1.55185000    -0.52887200     
H    -2.45513200    -2.67358900     0.19045700     
H    -4.08822800    -2.00968000     0.00946700     
H    -3.02053500    -2.13373000    -1.39682100     
H    -2.28953700     0.74927300     1.77185000     
H    -3.53218900    -0.49202100     1.88526900     
H    -1.81866300    -0.94160400     1.99685200     
H     1.09030400    -0.33595900    -1.92126100     
H     1.74204100     1.21902400    -1.42146000     
H     3.96686100     0.97273800    -0.50995000     
H     4.46945500    -0.54543800     0.26141000     
H     4.01780700    -0.53277100    -1.44835700     
H     2.24064600    -0.32474500     2.12004100     
H     2.38652700     1.25546000     1.32135900     
H     0.02383300     0.88204000     1.86787200     
035
G15_03832 
C    -0.53298200     4.82893000    -0.26632100     
C    -0.98850400     3.49276200     0.09192400     
C    -1.36356700     2.38893600     0.39487800     
C    -1.82736900     1.04399600     0.72594400     
C    -1.47625700    -0.00780800    -0.34556500     
C     0.02349200    -0.49316800    -0.45934400     
C     1.04281200     0.12587300     0.51768500     
C     2.45733600    -0.34696200     0.28322900     
C     2.91497600    -1.69678500     0.77290100     
N     3.21955700     0.46792200    -0.34221000     
O     4.50574300    -0.06871700    -0.53419800     
C    -0.27113800    -2.00486300    -0.30099500     
C    -1.22698400    -2.09839300     0.90496400     
C    -2.13087900    -1.40541700    -0.14579200     
C    -3.62774700    -1.53819400    -0.18603600     
O    -1.42497500    -2.17744400    -1.17805000     
H    -0.14252000     5.36423900     0.60629700     
H     0.26703900     4.78862800    -1.01374600     
H    -1.34771400     5.42982000    -0.68552800     
H    -1.43564200     0.74829500     1.70690800     
H    -2.91954800     1.06870800     0.83936800     
H    -1.80799800     0.38077700    -1.31232200     
H     0.38779500    -0.31442500    -1.47442500     
H     1.02269700     1.21138100     0.39929700     
H     0.76648500    -0.09674900     1.55586900     
H     3.13087300    -2.36437500    -0.06878500     
H     3.85088200    -1.59500000     1.33040300     
H     2.16563300    -2.16774000     1.41175200     
H     4.95951900     0.65466400    -0.97874100     
H     0.52915300    -2.72017400    -0.48545500     
H    -1.54702700    -3.12451700     1.09082300     
H    -0.98535700    -1.58597200     1.83947400     
H    -4.08897200    -1.01679800     0.65875300     
H    -4.02703500    -1.10975100    -1.11147000     
H    -3.92043600    -2.59062300    -0.13985600     
031
G15_04046 
C     1.91168100     2.05378800    -0.96248800     
C     1.19945800     1.14932100     0.05381200     
C     1.86292700     1.32766700     1.43269600     
C    -0.32805700     1.46127800     0.10876200     
C    -1.08580900     0.14230400     0.39132200     
N    -1.30240100    -0.09076000     1.83071200     
C    -2.44307400     0.14919800    -0.36318800     
N    -3.52110900    -0.10232400     0.41632400     
O    -2.50334400     0.34647800    -1.56661500     
C    -0.15336200    -0.93641400    -0.19415200     
O    -0.30669000    -2.22263300     0.32195000     
C     0.37914200    -0.73536300    -1.57323500     
C     1.24010400    -0.33695600    -0.36671200     
C     2.42282700    -1.10464000    -0.11788500     
C     3.43102100    -1.73014700     0.08431600     
H     1.47919600     1.95081900    -1.96214600     
H     1.83121600     3.10615000    -0.66834800     
H     2.97554700     1.80302600    -1.02566100     
H     1.73924400     2.35773600     1.78326600     
H     1.43857900     0.65420500     2.18340500     
H     2.93329600     1.11190200     1.37950000     
H    -0.56264500     2.21584500     0.86640700     
H    -0.66901800     1.85398600    -0.85100900     
H    -1.12239900    -1.07181900     2.03082800     
H    -0.65389100     0.45335500     2.38559700     
H    -3.38241400    -0.09194500     1.41617100     
H    -4.43774900    -0.01563200     0.01010300     
H    -0.90703500    -2.70786400    -0.25510600     
H     0.71200500    -1.63099900    -2.08563100     
H    -0.06388200     0.02314300    -2.20460900     
H     4.31364700    -2.29130700     0.26582100     
036
G15_04343 
C     2.74944800    -0.54691300    -1.66495200     
C     1.34184200    -0.31401400    -1.10425700     
C     0.89384900    -1.36562100    -0.07446400     
C     1.74230200    -1.29210200     1.21143600     
C     1.77879700     0.10021100     1.86154900     
C     1.99522300     1.22743500     0.83398000     
C     1.15300500     1.07244100    -0.45445100     
C    -0.35107900     1.32592800    -0.23694100     
C    -0.83898800     2.61994800    -0.85864700     
O    -0.87811600     1.05301800     1.07898400     
C    -1.23320100     0.15576500     0.00576700     
C    -2.70968400     0.19625100    -0.34843500     
O    -3.48460400    -0.63704100     0.51266200     
C    -0.64384300    -1.26728100     0.15013100     
N    -1.30554000    -2.14298900    -0.83349700     
H     3.52882000    -0.50359500    -0.89915800     
H     2.81400400    -1.52991200    -2.14410100     
H     2.99253000     0.20689400    -2.42210800     
H     0.64636800    -0.37919800    -1.95122800     
H     1.06450500    -2.36045800    -0.50550600     
H     1.37326200    -2.02939800     1.93510400     
H     2.76275000    -1.60578300     0.95975000     
H     0.84051500     0.27826300     2.38713400     
H     2.57778200     0.13257800     2.61147800     
H     1.77822300     2.19607000     1.29877200     
H     3.05166200     1.26249600     0.54106600     
H     1.49722600     1.83507500    -1.16316800     
H    -0.74729500     2.58195300    -1.94951200     
H    -1.87350400     2.84689500    -0.60105000     
H    -0.21606400     3.44937900    -0.50448400     
H    -3.07674500     1.22630800    -0.31334900     
H    -2.86202900    -0.19178800    -1.35831500     
H    -3.35201000    -0.31638300     1.41166600     
H    -0.86052000    -1.57404400     1.18746900     
H    -0.88667700    -3.06644400    -0.78223000     
H    -2.27828800    -2.25808300    -0.56121000     
038
G15_04379 
C    -4.82632700    -0.56240800    -0.29080500     
C    -3.41309500    -0.70561800     0.28121800     
C    -2.41190400     0.28859600    -0.32933100     
O    -2.87239500     1.62613600    -0.12186700     
C    -0.96593600     0.09220700     0.18719000     
C    -0.46516300    -1.35969500    -0.13230700     
N     0.88717900    -1.43201600    -0.66928400     
C     2.05189300    -1.48603100     0.22796600     
C     3.27535700    -0.89365300    -0.51669500     
C     3.00388500     0.44743400    -1.21844800     
C     2.54862200     1.63255500    -0.34698700     
C     1.25576300     1.47344100     0.49676100     
C    -0.02566200     1.18213300    -0.36398500     
C     1.47210700     0.51443000     1.65005000     
C     1.81348200    -0.76683200     1.53853200     
H    -4.84174700    -0.79742200    -1.36099700     
H    -5.52695200    -1.23837400     0.20889900     
H    -5.18785900     0.46197800    -0.17290400     
H    -3.43203500    -0.54398500     1.36978900     
H    -3.05814100    -1.73181400     0.13695400     
H    -2.41339000     0.17345000    -1.42279400     
H    -2.89323800     1.77681800     0.83042700     
H    -1.01485000     0.20192500     1.27924400     
H    -0.61342600    -1.99823400     0.75315000     
H    -1.11041300    -1.77275600    -0.91637400     
H     0.95677500    -2.16740200    -1.35915500     
H     2.29671500    -2.53071200     0.48357700     
H     4.10576400    -0.80546400     0.19470100     
H     3.60095800    -1.61190700    -1.28184400     
H     3.92472300     0.75289600    -1.73163100     
H     2.26317600     0.27264200    -2.00340100     
H     3.35921400     1.90612400     0.34109000     
H     2.41174100     2.49518500    -1.01265800     
H     1.09714300     2.45613200     0.95574900     
H     0.26936700     0.90281100    -1.37782100     
H    -0.60129000     2.10649600    -0.44419100     
H     1.33930000     0.92226100     2.65034500     
H     1.95923800    -1.35497700     2.44080800     
030
G15_04381 
C    -4.14324100    -1.28097600    -0.85713500     
O    -2.85874000    -1.31173800    -0.27287200     
C    -2.63705200    -0.31613000     0.71904300     
C    -1.28702600    -0.59653600     1.41213500     
C    -0.24121900     0.28347900     0.67717500     
C     0.55599500    -0.47791700    -0.41308200     
C     1.83367800    -1.13848300     0.12783000     
O     2.08966900    -2.33154500    -0.56898700     
C     3.11060700    -0.27119800     0.05143300     
N     3.00189200     1.06501300     0.24720700     
O     4.18162700    -0.83365500    -0.13055800     
C    -1.11111300     1.36710300     0.07862000     
C    -0.56139400     2.60799000    -0.46579400     
O     0.62475600     2.88102000    -0.46854100     
C    -2.41489400     1.05448100     0.10196200     
H    -4.21496100    -2.14952400    -1.51551700     
H    -4.93455700    -1.34562200    -0.09424100     
H    -4.31286700    -0.37449600    -1.45631400     
H    -3.48095200    -0.32015600     1.42612500     
H    -1.35833000    -0.29504200     2.46115800     
H    -1.05464300    -1.66296900     1.38151000     
H     0.46113100     0.72264300     1.39372800     
H    -0.07834500    -1.26654600    -0.82584600     
H     0.80774100     0.18606800    -1.24645000     
H     1.68653000    -1.35007100     1.20489700     
H     3.06031100    -2.38538300    -0.60113800     
H     2.13628700     1.57569100     0.11708500     
H     3.85605300     1.59196900     0.14282100     
H    -1.30169300     3.32296800    -0.87967600     
H    -3.20949900     1.67184100    -0.30404300     
034
G16_00143 
C    -2.01456000    -2.35367500     1.35468100     
C    -2.30250400    -1.39613000     0.20056200     
C    -2.53014200     0.08125500     0.63229300     
C    -1.92833400     0.97482200    -0.51334100     
C    -1.60953600    -0.04038600    -1.63147900     
C    -1.19209700    -1.29588100    -0.86454700     
O     0.06201300    -1.16959900    -0.18205400     
C     0.92848200    -0.12600700    -0.56872200     
C     0.53107400     1.27315300    -0.07575300     
C     1.76469200     1.88933300     0.41456300     
C     2.77874200     1.01012200     0.46409800     
C     2.33174800    -0.32951900     0.01842000     
C     2.78822200    -1.60323800     0.59343700     
O     3.23931100    -1.17993900    -0.69597500     
C    -0.71978600     1.76725600    -0.04387100     
C    -1.05612600     3.11850100     0.53212500     
H    -1.09097100    -2.06994600     1.86487200     
H    -2.83119700    -2.33875500     2.08409900     
H    -1.90364000    -3.38423000     1.00019300     
H    -3.20026500    -1.74515100    -0.32699600     
H    -3.59340000     0.28537400     0.78772600     
H    -2.02264800     0.28564400     1.57951200     
H    -2.67915200     1.69320500    -0.85862900     
H    -2.52025200    -0.28116000    -2.19089300     
H    -0.87922800     0.32261500    -2.35634800     
H    -1.14242300    -2.18556100    -1.50664500     
H     1.06176600    -0.11945900    -1.66022500     
H     1.84005100     2.92709500     0.71470400     
H     3.79066500     1.20599900     0.79502200     
H     3.54364700    -1.59938200     1.37904800     
H     2.09956200    -2.44427700     0.59726300     
H    -0.19097100     3.64407800     0.93880700     
H    -1.51600700     3.76071700    -0.23050500     
H    -1.79536700     3.02185400     1.33842900     
028
G16_00367 
C     1.58512900    -1.12052100     1.42855500     
C     1.47472500    -0.31217500     0.10994700     
C     2.20356000     1.05854200     0.25948600     
C     3.61908500     0.93132600     0.57704200     
C     4.78595300     0.83491700     0.84933400     
C     2.07272000    -1.06915200    -0.99456800     
C     2.55998600    -1.68639900    -1.90391200     
C    -0.02626500    -0.07568400    -0.20466700     
N    -0.46396900     1.12009000    -0.11932500     
C    -1.77805000     1.53271100    -0.38377700     
N    -1.92878900     2.55565200    -1.13389400     
C    -2.86426100     0.83992100     0.32818500     
C    -3.01855900    -0.50332500     0.35618100     
O    -4.11175000    -1.11390400     0.89391100     
C    -2.10233100    -1.46713200    -0.22155200     
C    -0.79980600    -1.27966300    -0.51083700     
H     1.11077900    -0.56476800     2.24342300     
H     1.09520600    -2.09253500     1.33883000     
H     2.63643500    -1.27984500     1.67619300     
H     2.07105000     1.62832600    -0.66483600     
H     1.69021500     1.63105500     1.03768300     
H     5.81941000     0.75848600     1.08007500     
H     3.00369200    -2.22205300    -2.70665400     
H    -2.92301600     2.76961000    -1.23130300     
H    -3.64003300     1.47171500     0.75779500     
H    -4.72163300    -0.44460500     1.22426300     
H    -2.53397100    -2.45252100    -0.37369900     
H    -0.23614100    -2.12201600    -0.89701800     
037
G16_00423 
C    -4.89560900     0.80090600    -0.44263600     
C    -3.44493000     1.26968900    -0.29838400     
C    -3.27914400     2.16865100     0.94165000     
N    -2.57132000     0.09554400    -0.32472100     
C    -1.14423600     0.35813800    -0.42869000     
C    -0.37234400    -0.97031800    -0.46978200     
C    -0.81622600    -1.86131200    -1.62986300     
C     1.19505700    -0.89994200    -0.28941500     
C     1.92190400     0.43973500    -0.34559700     
C     3.36233300     0.34132900     0.19703800     
N     4.14338700    -0.65298300    -0.54373900     
C     3.99342700     1.67905200     0.21152500     
N     4.51758200     2.70965700     0.19176900     
N     1.00104300    -1.44448700     1.07266800     
C    -0.36048600    -1.67947300     0.88979000     
N    -1.28827500    -2.23818000     1.54630200     
H    -5.58205400     1.65156000    -0.49808900     
H    -5.01395300     0.19115600    -1.34189300     
H    -5.19126100     0.19110400     0.41978200     
H    -3.18726000     1.86520300    -1.18638400     
H    -3.53347200     1.61572400     1.85380500     
H    -2.25454100     2.53791000     1.04602000     
H    -3.93868800     3.04120900     0.88351400     
H    -2.74636200    -0.50138200     0.48115600     
H    -0.96260900     0.91952700    -1.35678000     
H    -0.75069600     0.97587200     0.39702100     
H    -0.58076000    -1.38265300    -2.58761700     
H    -0.31232600    -2.83216800    -1.59969500     
H    -1.89406600    -2.02121500    -1.58644200     
H     1.69476300    -1.61127100    -0.95351000     
H     1.95138200     0.79573900    -1.38295500     
H     1.39174000     1.19370900     0.24098700     
H     3.30150700     0.00414400     1.23898500     
H     4.27657600    -0.34086100    -1.50222200     
H     5.07133600    -0.74014200    -0.14026300     
H     1.63627800    -2.07546500     1.54319100     
H    -0.95092100    -2.64328300     2.42161800     
039
G16_00852 
C    -5.03279800    -0.75067000    -0.26437900     
O    -3.69799400    -0.45358900    -0.59213100     
C    -2.99842600     0.15853100     0.46442400     
C    -1.55000100     0.35811400     0.04061200     
C    -0.79842600     1.27554400     1.02845000     
C     0.60363100     1.55927800     0.55160000     
N     0.89803700     2.48649500    -0.28020200     
O    -0.24474400     3.17517800    -0.72596300     
C     1.73648000     0.79050700     1.15585400     
C     2.09698200    -0.64482100     0.85125100     
N     2.98552800     0.46400900     0.49310700     
C     3.28616300     0.86094500    -0.87553200     
C     1.38458700    -1.65191400    -0.08018200     
C     2.38939000    -2.24006400    -1.09526600     
C     0.89168000    -2.80584500     0.82264400     
C     0.16815100    -1.10575500    -0.85895600     
O    -0.95339500    -0.92376300    -0.00965400     
H    -5.10008900    -1.45168400     0.58288400     
H    -5.60390400     0.15534300    -0.00338500     
H    -5.49024700    -1.21374700    -1.14210700     
H    -3.44945900     1.13325300     0.71616100     
H    -3.02654100    -0.46925300     1.37102000     
H    -1.54930200     0.82285700    -0.95413700     
H    -1.33843000     2.22137100     1.12645700     
H    -0.76466000     0.78213300     2.00522600     
H     0.13718100     3.84302100    -1.30502900     
H     1.86861300     1.09067300     2.20066900     
H     2.50319900    -1.17930500     1.71165200     
H     2.47241400     0.74842600    -1.60149900     
H     3.57452500     1.91441500    -0.87067000     
H     4.14232700     0.27074400    -1.21741100     
H     3.31237800    -2.54572000    -0.59280200     
H     1.96265900    -3.12573600    -1.57801200     
H     2.65538000    -1.52944300    -1.88077700     
H     0.21761000    -2.43829500     1.59853300     
H     0.34707800    -3.54881300     0.23097400     
H     1.73915100    -3.30843600     1.29994200     
H     0.41673400    -0.18033000    -1.38912400     
H    -0.10698200    -1.85072400    -1.62004600     
031
G16_00984 
C    -0.39054500     3.10602100    -0.12081300     
C     0.29676400     2.03251400     0.72821000     
C     0.65696500     0.74094900    -0.01716900     
C     1.79425600     0.98774800    -1.04064000     
O     2.95448400     1.49583500    -0.43020900     
O     1.21029000    -0.12301000     1.02062100     
C     1.55212000    -1.39608400     0.72308700     
N     2.49449100    -1.93339600     1.37351500     
N     0.77365200    -2.00444900    -0.27034900     
C    -0.18665700    -1.41518600    -1.07060800     
O    -0.74484900    -2.03043900    -1.95044800     
C    -0.52390200     0.04011900    -0.72072700     
N    -1.82552200     0.07279100    -0.04902200     
C    -3.00359000     0.18973800    -0.90682700     
C    -1.99358300    -0.31090900     1.26076100     
O    -3.06772800    -0.42895700     1.80957900     
H     0.23404800     3.43764100    -0.95575000     
H    -1.34834500     2.76245100    -0.52178600     
H    -0.59390200     3.98462300     0.49720200     
H     1.23388800     2.42440200     1.13215600     
H    -0.33421300     1.77807600     1.58287200     
H     2.00357100     0.05985500    -1.59652200     
H     1.46811500     1.73262000    -1.77199000     
H     3.21728500     0.87836400     0.26381500     
H     2.61969600    -2.91345800     1.13003600     
H     0.98547400    -2.96634700    -0.50051700     
H    -0.67182500     0.54053800    -1.68127400     
H    -3.03412800    -0.62839500    -1.63326700     
H    -3.88299100     0.14687600    -0.26606400     
H    -2.98685400     1.14334800    -1.44567700     
H    -1.03670700    -0.48211000     1.77978500     
037
G16_01211 
C     3.47479000    -0.76305500    -1.03983100     
N     2.33916400    -1.62796600    -0.78646500     
C     1.60148900    -1.45993000     0.24128000     
C     0.52972000    -2.49624300     0.53718600     
C    -0.87490200    -1.88698000     0.73787000     
C    -1.23567600    -0.84474500    -0.34780300     
C    -2.42868300    -1.30776800    -1.20082800     
O    -3.61707200    -1.35316700    -0.43904300     
N    -1.61770900     0.49638400     0.15108200     
C    -1.25772100     1.09366500     1.42569900     
C    -0.74776400     1.68327200     0.14979300     
C    -1.43444300     2.92132200    -0.40357400     
C     0.74616100     1.55837700    -0.23121900     
O     1.18988200     2.87841100    -0.54371700     
C     1.73777200     1.00002700     0.82601700     
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025
G16_01387 
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032
G16_01402 
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032
G16_01433 
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038
G16_01584 
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032
G16_01752 
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040
G16_01787 
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034
G16_01801 
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042
G16_02029 
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036
G16_02132 
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H     0.40816100     0.04897900     2.58800100     
H     0.36475900    -0.92158200     0.24900300     
H     2.77357800    -1.06756100     2.06126400     
H     1.73498200    -2.35999700     1.46866000     
H     4.12882200    -1.36429100     0.35552000     
H     3.60824700    -0.67641700    -1.72814000     
H     2.10008100    -1.59198200    -1.70807700     
H     2.68405600     0.98836100    -0.18586300     
H     1.61975500     1.15672400    -2.48652400     
H     0.26271900     0.19951400    -1.89603200     
H     1.16996400     2.97035900    -0.99288100     
H    -0.25596200     2.58122700    -1.94088800     
031
G16_02376 
C    -0.53648300     2.40049000     1.38910600     
N    -0.67067800     1.01458800     0.93964500     
C    -2.06888600     0.78389100     0.54236500     
C    -2.46840100    -0.53019400    -0.14087300     
O    -3.40614300    -0.51279100    -0.90382100     
C    -1.77115300    -1.84249000     0.19349900     
C    -0.34527200    -1.96105800    -0.38073900     
C     0.65400400    -1.01407800     0.28052100     
C     0.83522000    -1.35091500     1.76650700     
O     1.94186700    -1.20165300    -0.36943300     
C     2.67080600    -0.05230300    -0.30936000     
O     3.81101900     0.01104700    -0.65842500     
C     1.78890300     1.06814000     0.24137000     
C     0.35821400     0.51474100     0.03737900     
C     0.07945000     0.80236400    -1.45476600     
O    -0.68388500     1.65212800    -1.83376600     
H    -0.71416000     3.13309700     0.58716300     
H    -1.27165000     2.58098500     2.18002100     
H     0.44984100     2.58007400     1.81920400     
H    -2.67020600     0.81556300     1.46487000     
H    -2.45014600     1.57420800    -0.11372000     
H    -1.74776400    -1.97531300     1.28057700     
H    -2.39477900    -2.63202000    -0.23114100     
H     0.00809200    -2.98704600    -0.23838700     
H    -0.36764900    -1.79003300    -1.46214100     
H     1.05025700    -2.41841800     1.86775900     
H     1.67500200    -0.80424200     2.20119600     
H    -0.05244900    -1.10059300     2.34549300     
H     2.01515100     1.20241700     1.30235700     
H     2.00399200     2.00813100    -0.26864000     
H     0.67993600     0.20969200    -2.17862300     
032
G16_02605 
O    -2.09779700    -1.02210700     1.25253500     
C    -2.34244500    -0.75288000    -0.12431000     
C    -3.75968300    -0.47686800    -0.37501800     
C    -4.91943800    -0.21482100    -0.55463000     
C    -1.43670000     0.38142800    -0.67747200     
C    -1.67021900     1.77530100    -0.00170500     
C    -0.34430700     2.17771100     0.71820700     
C     0.60379400     1.09148900     0.29823000     
C     0.03064200     0.13009700    -0.43495200     
C     0.96277600    -0.97768900    -0.81101000     
C     0.90931800    -2.24549500     0.10802300     
C     2.13931400    -1.72269700     0.89837000     
C     2.31101100    -0.54084100    -0.09535700     
O     3.49895100    -0.61046700    -0.82812700     
C     2.07493400     0.89149100     0.48984800     
O     2.86308100     1.87886800    -0.20382100     
H    -2.51917200    -0.32876700     1.77147300     
H    -2.06771000    -1.68033100    -0.64048200     
H    -5.94746200    -0.00449000    -0.72016500     
H    -1.64997000     0.43153300    -1.75350300     
H    -1.93458100     2.51645500    -0.75923800     
H    -2.51505700     1.74539200     0.69296300     
H    -0.00247900     3.17600900     0.42027400     
H    -0.45875000     2.21351700     1.80954700     
H     1.01678800    -1.18197600    -1.88443900     
H    -0.00614100    -2.36286500     0.68889500     
H     1.10852300    -3.17039000    -0.43777200     
H     1.92628200    -1.41787400     1.92728300     
H     3.00733200    -2.38463700     0.89998000     
H     3.78748800     0.30872700    -0.93934900     
H     2.41242900     0.95244900     1.53051900     
H     2.37461900     2.11954600    -1.00002300     
038
G16_02800 
C     3.49334900    -0.43434400     0.91392900     
C     2.76817100    -0.49620300    -0.43388500     
N     2.40695100    -1.89787800    -0.75686200     
C     1.01680400    -2.07262900    -0.31948200     
C     0.28934400    -0.73211300    -0.58595700     
C     1.43612600     0.32200000    -0.51629500     
C     1.05583700     1.26690200     0.64190700     
O     1.64566900     2.54295800     0.59480200     
C    -0.50781800     1.24766300     0.62898600     
C    -0.98994400     2.14862300    -0.41314500     
C    -1.28806800     2.96201900    -1.25064100     
C    -0.78400600    -0.27730600     0.43910300     
C    -2.24623900    -0.77660500     0.21959400     
C    -3.16332700    -0.15405900     1.28561300     
C    -2.81037700    -0.47290900    -1.17695800     
N    -2.33113200    -2.24248800     0.39010700     
H     2.89369000    -0.86758900     1.72146700     
H     4.42150800    -1.00833800     0.85396700     
H     3.73402500     0.59834100     1.18394700     
H     3.46649000    -0.14257800    -1.19858700     
H     2.44119700    -2.01708800    -1.76447100     
H     0.57073600    -2.93037600    -0.83139600     
H     1.00359200    -2.29990000     0.75532400     
H    -0.13313900    -0.74801200    -1.59422900     
H     1.44376400     0.92720200    -1.42856500     
H     1.36652200     0.84323200     1.60098600     
H     1.25638500     3.01059100    -0.15596300     
H    -0.89785200     1.59915900     1.59007700     
H    -1.60061100     3.65592600    -1.99191000     
H    -0.49480000    -0.70696800     1.41052400     
H    -3.26189600     0.92639800     1.14910700     
H    -4.15683500    -0.60530500     1.22304600     
H    -2.77500700    -0.33432800     2.29551400     
H    -2.24182400    -0.98263600    -1.96181200     
H    -3.83968200    -0.83738000    -1.23233100     
H    -2.79918400     0.59588500    -1.39335700     
H    -1.76413300    -2.70980500    -0.31173300     
H    -1.94814600    -2.51375200     1.29265700     
037
G16_02804 
C    -2.02310800    -0.81286000     1.79073300     
C    -1.79126600    -0.79676200     0.27290500     
C    -2.95714900    -0.09076200    -0.43252700     
O    -4.14355900    -0.82973600    -0.17653900     
C    -0.44660500    -0.18401500    -0.17569100     
C    -0.05260300    -0.59842300    -1.58006200     
C     1.12365500    -1.22014900    -1.63162500     
C     1.78728100    -1.35927000    -0.27160300     
C     1.80250200    -2.81651900     0.20705700     
O     3.10824300    -0.81935200    -0.23535900     
C     0.87541800    -0.47109400     0.60814400     
N     1.18746200     0.96869800     0.58954600     
C     1.71786200     1.54676000     1.80848000     
C    -0.17948600     1.32826000     0.15823800     
C    -0.19839400     2.37843200    -0.95166600     
O     0.59837400     3.50019800    -0.60164400     
H    -1.95021000     0.19048300     2.22474800     
H    -3.02497100    -1.19483500     1.99849000     
H    -1.30122100    -1.45346200     2.30410200     
H    -1.80850400    -1.83769100    -0.07760700     
H    -3.04471100     0.94048700    -0.05322400     
H    -2.76781900    -0.02769200    -1.51470000     
H    -4.88745000    -0.34139400    -0.54025000     
H    -0.68895400    -0.42306100    -2.44137200     
H     1.58444700    -1.61475300    -2.53249000     
H     2.34655000    -3.45480300    -0.50021300     
H     2.29442200    -2.88498000     1.18280500     
H     0.78802600    -3.21762100     0.29508000     
H     3.69627100    -1.45733200    -0.65295100     
H     0.76174400    -0.87011300     1.62359900     
H     2.73214600     1.17105700     1.97412800     
H     1.75806900     2.63532200     1.71399100     
H     1.10872600     1.30927200     2.70156400     
H    -0.80006200     1.67288500     1.00010200     
H     0.15480800     1.93274600    -1.89177400     
H    -1.21525600     2.75363400    -1.11405800     
H     1.49861200     3.16049700    -0.53276200     
031
G16_02944 
O    -3.72635600     2.35885300     0.54914000     
C    -2.39314500     2.19727300     0.08093400     
C    -2.10075500     0.73513200    -0.03477200     
C    -3.02873400    -0.29470200    -0.04052000     
N    -2.32730600    -1.43535400    -0.30185900     
C    -2.15816300    -2.87506300    -0.02627200     
C    -0.61337000    -2.65747700    -0.23183300     
C    -0.97512100    -1.18644700    -0.38325200     
C    -0.79407300     0.17049900    -0.21071700     
O     0.32298000     0.95572900    -0.24062400     
C     1.57277200     0.28131700    -0.27123200     
C     2.58596600     1.27406100    -0.84212100     
N     3.90723400     0.68121000    -0.73640600     
C     4.21238800    -0.14558400     0.31594400     
N     3.41765000    -0.60500900     1.20122900     
C     2.02105000    -0.17703000     1.12518800     
H    -3.93513200     3.29664400     0.52279400     
H    -2.26004400     2.69498300    -0.89527800     
H    -1.66666000     2.66311000     0.76663400     
H    -4.10004700    -0.25449600     0.05852000     
H    -2.43446100    -3.15873900     0.99338900     
H    -2.66551900    -3.52831300    -0.74166100     
H    -0.00784600    -2.91647300     0.64084800     
H    -0.19257600    -3.15236700    -1.11165300     
H     1.50765000    -0.58439800    -0.94498200     
H     2.35585500     1.48528200    -1.89063200     
H     2.50531200     2.21843600    -0.28441300     
H     4.66524800     1.09367900    -1.25292500     
H     5.26233100    -0.44192600     0.34688200     
H     1.84994400     0.65119000     1.82744000     
H     1.38701100    -1.00107600     1.46808500     
024
G16_03388 
C    -0.96250100     3.27914100     0.11484700     
N    -0.19091800     2.04704800     0.16346000     
C    -0.73318500     0.83092900     0.05897600     
C     0.00278600    -0.36466200     0.08578300     
C    -0.67549600    -1.61046100     0.03946800     
O    -0.27203600    -2.73796500     0.12217800     
O    -2.12498700    -1.49874700    -0.15792200     
C    -2.66339200    -0.31088800    -0.17522700     
F    -3.96195200    -0.38460100    -0.31551100     
N    -2.11051100     0.83177800    -0.07875200     
C     1.47385800    -0.42658500     0.39192300     
O     1.62895200    -0.30361500     1.79281000     
C     2.28059000    -1.56754400    -0.30262500     
O     3.09890500    -0.55920800    -1.00304400     
C     2.43073300     0.46436700    -0.41587800     
N     2.60681200     1.71071700    -0.47225000     
H    -0.27120800     4.10923100     0.26941500     
H    -1.46492500     3.40885800    -0.84898700     
H    -1.72401900     3.29905800     0.89787400     
H     0.82502100     2.13215800     0.13475900     
H     2.56577300    -0.19913900     2.00058000     
H     2.89276400    -2.16415200     0.37571900     
H     1.74897500    -2.19665900    -1.01074200     
H     3.38047700     1.97576500    -1.08198700     
031
G16_03965 
C     2.86152400    -1.64445500    -0.92591900     
C     2.83258500    -0.15531200    -0.54132100     
C     1.56600700     0.21232000     0.25535600     
N     0.36827300    -0.00005800    -0.58005700     
C    -0.91016400     0.14963800     0.07547800     
C    -1.40136600     1.53674300     0.57420900     
O    -0.82440300     2.49835300     0.98877700     
C    -2.81554700     1.28784000     0.03286200     
C    -2.23169100     0.08218600    -0.77992900     
C    -2.10862400     0.32769400    -2.27559900     
C    -2.83080700    -1.27776300    -0.42090700     
O    -2.27800900    -1.64201600     0.85174700     
C    -1.14937100    -0.94636400     1.13590800     
O    -0.47885800    -1.18661100     2.09714100     
C     4.05195700     0.17271300     0.29920900     
O     4.90909700     0.96308600     0.00151700     
H     2.94840100    -2.27577300    -0.03404700     
H     1.93478600    -1.91425400    -1.43631800     
H     3.70668700    -1.86690400    -1.58344700     
H     2.89412600     0.46961900    -1.44066900     
H     1.48106600    -0.42507000     1.13805700     
H     1.63220800     1.25090300     0.60799100     
H     0.40405900     0.65577600    -1.35534800     
H    -3.51848700     0.99144200     0.81836900     
H    -3.25183700     2.10787700    -0.54198300     
H    -1.70681500     1.32455600    -2.48694200     
H    -1.45133800    -0.41211500    -2.74212500     
H    -3.08939000     0.26686000    -2.75931000     
H    -3.91894500    -1.25394800    -0.31630900     
H    -2.56054800    -2.04898800    -1.15102400     
H     4.10848100    -0.40351600     1.25395800     
040
G16_03998 
C    -4.33860800     0.83781000    -0.34814700     
C    -2.92140900     1.23920100     0.07702500     
C    -1.95744600     0.06391600     0.35064600     
C    -2.46061800    -0.79622200     1.52643800     
N    -1.77695200    -0.73915600    -0.85719900     
C    -0.49139700    -1.16228900    -1.09928000     
N    -0.07217500    -2.01396000    -1.95270200     
C     0.45303000    -0.42923000    -0.14370400     
C     1.09384700    -1.47486900     0.80694400     
C     2.21121800    -0.89319800     1.68165700     
C     3.29973300    -0.23220000     0.82972000     
C     2.71240000     0.84533000    -0.09390700     
C     3.79066600     1.47849400    -0.97891700     
C     1.57824600     0.25953500    -0.95145700     
C    -0.48389300     0.55984600     0.62140500     
O    -0.24547800     1.88034400     0.15591700     
H    -4.93705800     1.72989400    -0.55568000     
H    -4.32646700     0.24054600    -1.26617000     
H    -4.86320300     0.26602200     0.42300800     
H    -2.47510100     1.86050500    -0.70273500     
H    -2.98708100     1.85643200     0.98440300     
H    -3.41810600    -1.27023700     1.28965500     
H    -1.75128000    -1.59240900     1.76435300     
H    -2.60286900    -0.18663900     2.42553400     
H    -2.54754000    -1.27581700    -1.22546400     
H    -0.83920800    -2.41970900    -2.49179600     
H     0.32875800    -1.94305900     1.43663000     
H     1.49841700    -2.27172300     0.17373100     
H     1.79990300    -0.15327800     2.38297900     
H     2.63873500    -1.69165100     2.29923500     
H     4.07509000     0.20303300     1.47200600     
H     3.79554200    -0.99893500     0.21679500     
H     2.28282100     1.63566100     0.53538800     
H     4.24250800     0.73189300    -1.64328600     
H     3.37344500     2.27235300    -1.60752200     
H     4.59399800     1.91514000    -0.37500600     
H     1.98300200    -0.50535600    -1.62457400     
H     1.14814300     1.04119800    -1.58227200     
H    -0.29174900     0.51772700     1.70086000     
H    -0.72760400     2.49071900     0.72136100     
034
G16_04215 
C    -4.47254500     0.45287900    -0.50160300     
C    -3.40926400    -0.37175300     0.22860800     
C    -2.05688300    -0.39627400    -0.50661300     
C    -1.34617300     0.92494600    -0.62099800     
C    -1.08795200     1.81754200     0.34567700     
C     0.10308400     2.68239700     0.24265400     
C     1.32471300     2.13816100     0.13639600     
C     1.65134200     0.66578400     0.21840200     
C     1.21963800    -0.41499600    -0.85049100     
N     2.65363600    -0.73277200    -1.01641100     
C     3.07734300     0.20421200    -0.07142100     
N     4.18567100     0.58340300     0.40407800     
C     0.33438400    -1.62664800    -0.45493600     
O     1.04342600    -2.49361800     0.41483400     
C    -1.06418200    -1.37726700     0.19434300     
O    -0.87672700    -1.03661900     1.56663500     
H    -4.66990300     0.05038600    -1.50154100     
H    -5.41745200     0.44928000     0.04993700     
H    -4.15521600     1.49355100    -0.61938100     
H    -3.26948800     0.00863800     1.24552300     
H    -3.75819300    -1.40522300     0.34459000     
H    -2.22669200    -0.79040000    -1.51719000     
H    -0.78903900     1.05970900    -1.54160100     
H    -1.67139600     1.84750500     1.26767300     
H     0.00073800     3.76380300     0.30309500     
H     2.19486100     2.78825400     0.07899600     
H     1.39405900     0.29643100     1.21821400     
H     0.83017500     0.02802900    -1.76913400     
H     3.00547000    -1.67984900    -1.05533400     
H     4.96455800     0.04905900     0.01448800     
H     0.16628000    -2.19428300    -1.38142200     
H     0.79423700    -2.22190300     1.30987800     
H    -1.54146800    -2.36365300     0.22353500     
H    -0.70130900    -0.08574800     1.60414400     
042
G16_04322 
C     2.86933400     3.03827100     0.36610100     
C     2.81397500     1.85558800    -0.61702500     
C     1.71939000     0.85195200    -0.29605800     
C     0.61494600     0.84966100    -1.05993400     
C    -0.63191400     0.04085200    -1.11686600     
C    -1.03258500    -1.22133700    -0.36744400     
C    -0.20845500    -1.99830000     0.65055100     
C     1.21191500    -2.43620200     0.16537800     
N     1.35733700    -2.65037900    -1.28147400     
C     2.34326900    -1.50464100     0.67074800     
C     2.01308500    -0.01844300     0.91234500     
C    -1.80735400     0.05868100    -0.12486600     
C    -1.66231900     0.82776800     1.17882400     
C    -2.49945900     0.26947100     2.33913400     
C    -3.19630900     0.13908400    -0.76627100     
N    -3.66580800     1.46717400    -1.16649100     
H     1.93598500     3.60937700     0.33454700     
H     3.01887700     2.70291900     1.39759400     
H     3.69244800     3.71524100     0.11573500     
H     2.67601300     2.24313000    -1.63193300     
H     3.78534800     1.34180200    -0.60853800     
H     0.62540700     1.58519500    -1.86567700     
H    -0.98758200     0.01918500    -2.14690600     
H    -1.55994300    -1.90386500    -1.03188000     
H    -0.11949500    -1.46148400     1.59901200     
H    -0.78373100    -2.90112100     0.88884900     
H     1.40526500    -3.41433700     0.62193100     
H     0.63822000    -3.28788100    -1.61341600     
H     1.20447500    -1.77290700    -1.77044800     
H     2.69766400    -1.89689900     1.63170900     
H     3.18148400    -1.59591800    -0.02815100     
H     2.87959200     0.41158900     1.42649700     
H     1.19858600     0.04714500     1.63977300     
H    -0.61212200     0.87584300     1.47245900     
H    -1.95121300     1.87173500     0.99761200     
H    -3.57209100     0.30846100     2.12396400     
H    -2.24631200    -0.77422000     2.54954200     
H    -2.32922800     0.84784700     3.25273600     
H    -3.20406800    -0.49848700    -1.65916300     
H    -3.94587700    -0.28540600    -0.08714200     
H    -3.79973200     2.05626900    -0.35048600     
H    -2.95378000     1.92479600    -1.73015300     
035
G16_04374 
C     4.16651400    -0.34887600    -1.05708900     
C     2.89795900    -0.89785400    -0.39449800     
C     2.14433100     0.14975900     0.43389300     
C     1.55160200     1.32031700    -0.38481100     
C     0.32035100     1.80442800     0.43937200     
N     0.10868000     0.82698300     1.51233300     
C     0.93007800    -0.35817900     1.26098900     
C     0.07403700    -1.43177100     0.56409900     
O    -1.06586800    -1.76697400     1.31505100     
C    -2.14033500    -0.94213800     0.86881100     
C    -1.75354100    -0.54728700    -0.58070500     
C    -2.56534400    -1.32203500    -1.62175300     
O    -0.38835500    -0.99041200    -0.69977600     
C    -1.84788200     0.95743300    -0.88991300     
O    -2.20184600     1.90769200     0.12546200     
C    -0.90114700     1.99803700    -0.45292000     
H     4.86096700     0.05330400    -0.31051600     
H     4.69226600    -1.13148400    -1.61276400     
H     3.93372900     0.45710000    -1.76064400     
H     2.22796700    -1.29977300    -1.16317800     
H     3.17099000    -1.74107300     0.25398500     
H     2.84837900     0.57280800     1.16449900     
H     2.27602100     2.12381800    -0.53745100     
H     1.23355300     0.96681700    -1.36915400     
H     0.52167500     2.78473400     0.88829800     
H     0.30294600     1.22860000     2.41723600     
H     1.24915800    -0.79503900     2.21365400     
H     0.65709300    -2.34918800     0.41604600     
H    -3.05147700    -1.54753000     0.89054000     
H    -2.25565800    -0.05997300     1.49769000     
H    -3.61657300    -1.01545800    -1.60015400     
H    -2.17349400    -1.13808100    -2.62712400     
H    -2.50612800    -2.39425800    -1.41845100     
H    -2.36026700     1.15574700    -1.83370300     
H    -0.78308400     2.84660000    -1.13389500     
036
G16_04391 
C     2.39913600    -1.77336500    -1.70816800     
C     1.54763900    -1.00413200    -0.68837900     
C     0.83321700     0.15067000    -1.42671000     
C     0.14216800     1.32708400    -0.66802500     
C    -1.35554100     1.51062500    -0.90780400     
O    -1.99245000     0.93528500    -2.04573500     
C    -2.42697900     0.51785500    -0.73783300     
C    -2.22242900    -0.93614000    -0.35361300     
N    -2.04346300    -1.19644200     1.07422600     
C    -0.79989400    -0.83306800     1.75926100     
C     0.35765200    -1.78045700     1.38088100     
N     0.63596600    -1.95021700    -0.03903900     
C    -0.44408900     0.68427000     1.88017800     
C     0.38944500     1.49487200     0.85231400     
C     1.86804500     1.58933400     1.19630400     
O     2.73628900     1.91086400     0.42543000     
H     1.76220400    -2.22289300    -2.47865100     
H     3.11539400    -1.11253300    -2.20230900     
H     2.96298000    -2.57514900    -1.21866100     
H     2.23943900    -0.58411300     0.05731100     
H     1.60234900     0.61572200    -2.04920900     
H     0.10799500    -0.28084600    -2.12230500     
H     0.59556000     2.22465900    -1.10111800     
H    -1.65827700     2.54843300    -0.73434700     
H    -3.40805600     0.92102900    -0.46784600     
H    -3.10823800    -1.49781800    -0.67749300     
H    -1.36887000    -1.35282300    -0.88133000     
H    -2.83337800    -0.83749500     1.59885200     
H    -1.00748300    -1.10069400     2.80456500     
H     1.25573000    -1.46196600     1.94659100     
H     0.07444600    -2.76645800     1.76112800     
H     0.97204900    -2.89145500    -0.18828800     
H    -1.40048500     1.19999200     2.01738300     
H     0.07888700     0.80134900     2.84040400     
H     0.08873700     2.53783300     1.06816800     
H     2.10056500     1.40735700     2.27285900     
029
G16_04410 
O     2.39450900    -2.70528700    -0.62190100     
C     2.81610000    -1.58467100    -0.74941100     
C     2.50076300    -0.44587800     0.20048000     
N     2.82792000     0.88775800    -0.33884300     
C     1.55086100     1.46012800     0.12283400     
C     0.85556900     2.32869600    -0.90180000     
O    -0.18547000     2.90269700    -0.69924500     
C     1.01358800    -0.01149500     0.40875600     
C    -0.02583300    -0.60201400    -0.54868800     
C    -1.45072800    -0.19789700    -0.13915500     
C    -2.51325900    -0.99030000    -0.90930500     
C    -3.87366500    -0.53944400    -0.64575500     
C    -4.99295100    -0.15555800    -0.43895700     
O    -1.63012500    -0.48036800     1.24842900     
C    -0.69023000     0.19766000     2.01984000     
O     0.63694700    -0.22443000     1.74579800     
H     3.47054800    -1.28869000    -1.60078700     
H     2.92584300    -0.68059500     1.18544000     
H     3.66278700     1.32262500     0.03618600     
H     1.58944600     2.00073900     1.07666100     
H     1.38366000     2.38595400    -1.87994900     
H     0.18255100    -0.29551600    -1.58001400     
H     0.06131300    -1.69214100    -0.50023200     
H    -1.60425800     0.87668200    -0.30596400     
H    -2.29725900    -0.90812200    -1.98196400     
H    -2.40881000    -2.04965600    -0.64450000     
H    -5.98285300     0.17921600    -0.25155900     
H    -0.76917600     1.28670900     1.85489700     
H    -0.87741200    -0.04776300     3.06599100     
039
G17_00414 
C    -3.72759100    -1.53569100     0.79665100     
C    -3.12370500    -0.35066500     0.09052900     
N    -3.30405100     0.82039100     0.55937600     
C    -2.62390500     1.96007600    -0.05089700     
C    -1.12900300     2.06855900     0.32432000     
C    -0.14575500     1.09515300    -0.35667700     
C     1.32451700     1.50428900    -0.14065500     
C     2.12042800     0.22743400    -0.41995800     
O     2.23579700    -0.02910400    -1.82369200     
C     3.56687100     0.31214600     0.04760200     
O     3.92689400     0.85573000     1.06009100     
C     1.27410100    -0.89368700     0.30388200     
C     1.59088800    -2.28506200    -0.26742900     
C     1.55375300    -0.92623500     1.82148200     
C    -0.21184500    -0.40358100     0.08363100     
C    -1.07046100    -1.24601600    -0.88498300     
N    -2.40836200    -0.66599500    -1.09521400     
H    -2.95528700    -2.25490300     1.09317200     
H    -4.25684800    -1.20006600     1.68809400     
H    -4.41428400    -2.06566200     0.12882900     
H    -2.72817300     1.99633200    -1.14908800     
H    -3.12476700     2.86136000     0.31674800     
H    -0.80947700     3.09014500     0.08095800     
H    -1.03744400     1.96760900     1.41306700     
H    -0.34687500     1.14554600    -1.44047000     
H     1.64105000     2.32743100    -0.78864100     
H     1.50468600     1.81693300     0.89182000     
H     1.43393900     0.27014100    -2.26134600     
H     4.28538000    -0.17100500    -0.64935700     
H     2.63432200    -2.54885400    -0.06314900     
H     0.96808300    -3.05067500     0.20605400     
H     1.44943200    -2.33644600    -1.34713800     
H     1.39351500     0.04312400     2.30003100     
H     0.87723700    -1.64577200     2.29486900     
H     2.57807800    -1.23627900     2.04298900     
H    -0.71444700    -0.44702900     1.05558200     
H    -0.59553100    -1.31923400    -1.86902700     
H    -1.17879500    -2.26929500    -0.51447800     
H    -2.30818100     0.17248900    -1.65482200     
040
G17_01041 
C    -5.10028700    -0.80715200     0.31056500     
C    -4.03981100    -0.53131800    -0.76231100     
C    -2.63328900    -0.24662800    -0.24500100     
C    -1.54382500    -0.23832700    -1.34627200     
C    -0.23842700    -0.57081900    -0.55783400     
C     0.92655100     0.38024000    -0.85659600     
C     2.19740900     0.15335100    -0.02548700     
C     2.84645800    -1.21721800    -0.26814100     
O     4.07580300    -1.33083500     0.43817500     
C     4.96122800    -0.30279500     0.08693100     
O     4.46050600     0.97285800     0.38432100     
C     3.25605500     1.22363300    -0.32674400     
C    -0.77338400    -0.61104300     0.89609600     
C    -1.17004600     0.80282300     1.38627400     
C    -2.47772600     1.06974700     0.57967500     
O    -2.43169400     2.19508500    -0.28760100     
N    -2.07537800    -1.28158500     0.66205900     
H    -4.84680200    -1.69164700     0.90434700     
H    -5.23017400     0.03657600     0.99624100     
H    -6.07222600    -0.99679100    -0.15502200     
H    -3.98684600    -1.39519200    -1.43489900     
H    -4.34791400     0.32494400    -1.37453900     
H    -1.76402800    -1.00306900    -2.09501400     
H    -1.49377500     0.72896300    -1.84830700     
H     0.06535200    -1.59265400    -0.80542400     
H     1.17659500     0.28978100    -1.92312700     
H     0.59346500     1.41739100    -0.72316100     
H     1.96250500     0.22164900     1.04409400     
H     2.21692600    -2.03885700     0.08102200     
H     3.01998300    -1.35765200    -1.35047300     
H     5.86639400    -0.44023700     0.68181400     
H     5.19869500    -0.36730600    -0.99395900     
H     3.46004900     1.24945900    -1.41236100     
H     2.91621800     2.21853500    -0.02474500     
H    -0.13968900    -1.16652900     1.59016800     
H    -1.35990500     0.78853800     2.46438300     
H    -0.42282600     1.57756200     1.19499500     
H    -3.33152000     1.17320300     1.26311300     
H    -2.44632200     2.99137600     0.25112400     
H    -2.60885400    -1.32077100     1.52923600     
032
G17_01262 
C     6.13144200    -0.76867000    -0.47231200     
C     4.70118400    -0.37689000    -0.25483000     
C     4.16185800     0.87038300    -0.47359300     
N     2.83197500     0.81534500    -0.08871200     
C     1.62545000     1.59627400    -0.23935700     
C     0.63270400     0.71762900     0.57367200     
C    -0.77200000     0.64315000     0.00405700     
C    -1.70833400    -0.24464400     0.84182100     
C    -3.11831700    -0.23959100     0.30911800     
N    -3.75850900     0.93977300     0.30146100     
C    -5.00295700     0.94494100    -0.17131100     
N    -5.69539000    -0.09407700    -0.64237400     
C    -5.04804800    -1.26184100    -0.63101000     
C    -3.74664400    -1.39149100    -0.16281300     
O     1.22081000    -0.60959600     0.59382300     
C     2.54148100    -0.45328600     0.31282100     
C     3.65883200    -1.23855800     0.24788800     
H     6.21963000    -1.60881500    -1.17161100     
H     6.70942100     0.06488600    -0.88239100     
H     6.61646600    -1.07984200     0.46094400     
H     4.61628700     1.78620700    -0.81436300     
H     1.71499100     2.60026900     0.18440100     
H     1.32465100     1.68573400    -1.29254400     
H     0.60460700     1.07515800     1.61255100     
H    -1.19126400     1.65420600    -0.04295500     
H    -0.71671400     0.26392200    -1.02327100     
H    -1.31863300    -1.26521200     0.87536500     
H    -1.72961300     0.13447000     1.87119600     
H    -5.51435400     1.90518900    -0.17200900     
H    -5.59329300    -2.12335400    -1.01061600     
H    -3.24054100    -2.35008300    -0.16263500     
H     3.74545600    -2.27769700     0.51982100     
029
G17_01411 
C     2.42962500    -2.55435100     0.91515200     
N     1.62019800    -2.03952300    -0.19818100     
C     1.16272200    -0.71221100    -0.13284400     
C     1.97635300     0.40427100    -0.13924800     
C     3.41435700     0.29649100    -0.41009100     
O     4.19064500     1.23187800    -0.36605400     
C     1.42770200     1.72540500     0.04043700     
C     0.09311600     1.94642500     0.14534300     
N    -0.52357200     3.14409300     0.41632900     
N    -0.75674200     0.83641000     0.03341700     
C    -2.14711100     0.83043800     0.01683000     
O    -2.92108400     1.78182400     0.05368900     
N    -2.48707800    -0.51177100    -0.06593800     
C    -3.85956500    -0.97000900    -0.08189600     
C    -1.34470400    -1.29970900    -0.13145100     
O    -1.41310900    -2.65756200    -0.17980100     
C    -0.25112200    -0.48607800    -0.07149300     
H     1.91482500    -2.48681100     1.88518800     
H     2.66111900    -3.60404300     0.71514100     
H     3.37364600    -2.01439000     0.99154400     
H     0.84168500    -2.66557700    -0.35810700     
H     3.75883900    -0.70963800    -0.72055500     
H     2.12406100     2.55144400     0.09638100     
H     0.01961300     3.96514800     0.20530500     
H    -1.51339900     3.18570400     0.20291500     
H    -4.48635800    -0.10315900     0.13094400     
H    -4.13888900    -1.37372000    -1.06178500     
H    -4.01497000    -1.73983900     0.67835300     
H    -1.76967200    -2.94272400    -1.03181900     
031
G17_01575 
N     3.67973100    -2.20842800     0.40774100     
C     2.78303600    -1.29815000    -0.13934300     
O     2.69761700    -1.10162500    -1.33859400     
N     1.99009900    -0.66799600     0.79687000     
C     0.87045100     0.18670400     0.41103100     
C     0.03519900     0.57051900     1.64434700     
C    -1.21701100     1.18014000     0.99551000     
C    -0.87258400     2.55502100     0.39583100     
C     0.28659600     2.47711200    -0.59621400     
O     0.33388900     3.17459700    -1.58164600     
C     1.39337900     1.48008700    -0.26026300     
C    -1.55390500     0.16359700    -0.12531800     
C    -0.18388800    -0.50933900    -0.50180600     
C    -2.54239800    -0.89856500     0.33290000     
O    -2.86514200    -1.06149700     1.49120800     
C    -3.06658500    -1.74785200    -0.72439000     
C    -3.49206100    -2.43103400    -1.61957100     
H     4.38305600    -2.49792100    -0.25517800     
H     4.04174900    -2.01444900     1.32947800     
H     1.90424400    -1.11808600     1.69558800     
H    -0.23969600    -0.32445700     2.21434700     
H     0.55832200     1.25981200     2.31501400     
H    -2.04136100     1.26821200     1.70425000     
H    -1.72467600     3.01540100    -0.11208600     
H    -0.57217900     3.23699700     1.20382600     
H     2.08247500     1.97502900     0.43814200     
H     1.94993700     1.25086400    -1.16931600     
H    -1.98674400     0.65523500    -1.00274100     
H     0.05939000    -0.40945000    -1.55873700     
H    -0.19976400    -1.58016000    -0.27937900     
H    -3.87584400    -3.04330000    -2.39950500     
038
G17_02558 
C    -3.05841700    -1.10559500    -1.30107100     
C    -2.11186100    -0.90391900    -0.10958800     
O    -2.74998500    -1.30183800     1.11234700     
C    -0.84951400    -1.76039300    -0.35840400     
N     0.12045900    -1.94205400     0.72001600     
C     0.78922100    -0.79853600     1.37017000     
C     1.47989600     0.19777900     0.41779600     
C     2.71305700     0.85128000     1.08696200     
O     3.47728500     1.37258100     0.01713200     
C     3.43443000     0.40678000    -1.03182000     
C     2.17558000    -0.46595900    -0.81433000     
O     2.60209300    -1.78930400    -0.55910700     
C     0.54573400     1.35242400    -0.00989400     
O    -0.64662900     0.98745700    -0.69612600     
C    -1.74737500     0.58730600     0.12474100     
C    -2.88399200     1.57953300    -0.12850900     
O    -2.49226300     2.89110800     0.23426700     
H    -2.62468400    -0.70317000    -2.22146900     
H    -3.24211800    -2.17448300    -1.46352900     
H    -4.02220300    -0.62041100    -1.13146100     
H    -3.27335700    -2.09033400     0.93373700     
H    -1.18844700    -2.77099100    -0.61994400     
H    -0.34436900    -1.36543900    -1.24151900     
H    -0.30579700    -2.50503800     1.44690800     
H     0.12065900    -0.24104200     2.04251700     
H     1.55625500    -1.24786000     2.01042800     
H     2.47332500     1.67784600     1.76350300     
H     3.27760800     0.08934800     1.64784200     
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038
G17_02624 
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034
G17_02763 
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025
G17_02772 
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036
G17_02804 
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041
G17_03272 
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043
G17_03430 
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032
G17_03855 
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039
G17_04139 
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037
G17_04630 
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H    -0.46643200    -0.16199600     1.99310100     
H    -0.18815900    -1.48552000     0.86163600     
H     0.50759300     3.56283800     0.45944000     
H     1.17070600     0.28405200    -1.58992600     
H     2.12143800    -0.17413900     1.28296800     
H     1.82767500    -1.43165400     0.08213900     
H     3.60767200    -0.46295300    -1.39231100     
H     3.90048400     0.80506500    -0.21179800     
H     4.57094000    -0.91187700     1.47464900     
H     4.24767800    -2.19652600     0.29533800     
H     6.47622300    -1.50039600     0.28119800     
035
G17_04660 
C    -2.35625400     2.07722400     0.28599100     
C    -1.69237400     0.71359900     0.49772900     
O    -2.08965900     0.15484800     1.76078600     
C    -2.17688000    -0.28204500    -0.57162100     
C    -1.36264800    -1.57956800    -0.49102000     
C     0.10280700    -1.25668100    -0.73877000     
N     0.61176300    -0.25262700     0.20771500     
C     2.04320700    -0.28754300     0.51690200     
C     2.49278800    -1.61737600     1.14851800     
O     2.71283400    -2.60127300     0.14699800     
C     2.96029600     0.08948400    -0.67586000     
C     2.70858500     1.48704100    -1.19614800     
O     3.50234400     2.38988100    -1.10964200     
C    -0.14699800     0.84863800     0.57319900     
N     0.26114300     1.93764000     1.11541100     
C    -3.66047800    -0.59397500    -0.44756300     
O    -4.39272900    -0.71169600    -1.39817300     
H    -2.07949000     2.50176400    -0.68355200     
H    -3.44406000     1.96194200     0.31738800     
H    -2.04133600     2.78072500     1.05650700     
H    -1.75954100     0.75752700     2.43766200     
H    -2.03207100     0.16085800    -1.56364700     
H    -1.48680300    -2.03676000     0.49563700     
H    -1.70677800    -2.29306800    -1.24616700     
H     0.71392100    -2.15261100    -0.63784600     
H     0.22277600    -0.90214600    -1.77554600     
H     2.20116600     0.44645000     1.31059900     
H     3.42292700    -1.42362500     1.70281900     
H     1.72626600    -1.93638400     1.86915500     
H     3.04409700    -3.39867600     0.57051000     
H     4.00677800     0.02570700    -0.36496300     
H     2.80056800    -0.63144700    -1.48531300     
H     1.71913200     1.64317100    -1.67919200     
H     1.27052800     2.00658100     1.21835000     
H    -4.02305400    -0.75196500     0.58781700     
029
G17_04903 
C    -4.71872200    -0.19825000    -0.81088000     
C    -3.59475400     0.23146700     0.11390400     
C    -2.87636100    -0.92393300     0.78033900     
O    -1.78062900    -0.42920600     1.54392300     
C    -0.81622100     0.26830700     0.79028800     
C     0.14341600    -0.75095500     0.09449800     
O    -0.25914200    -1.83559200    -0.24751800     
N     1.47218800    -0.35452300    -0.03266600     
C     2.00110000     0.94308600     0.23328000     
C     3.33043900     0.85986400     0.13615000     
O     4.25842000     1.83934400     0.19141000     
N     3.70306400    -0.47101800    -0.11092400     
C     2.54601900    -1.24331900    -0.33011200     
N     2.43670500    -2.45707100    -0.68420300     
C    -1.41598800     1.24222800    -0.22238700     
N    -0.71802900     2.21458500    -0.63961700     
O    -2.65676400     0.99078700    -0.69463200     
H    -4.34633000    -0.88335000    -1.57799900     
H    -5.50357800    -0.70398800    -0.24061900     
H    -5.15710500     0.67158900    -1.30636200     
H    -3.97214300     0.91372000     0.88746000     
H    -3.54078000    -1.41722400     1.49501300     
H    -2.53350600    -1.65438100     0.04205100     
H    -0.24767300     0.85805000     1.51124700     
H     1.36370200     1.80048900     0.34460000     
H     4.94098800     1.59741000     0.83021600     
H     4.52942300    -0.67714500    -0.65119500     
H     3.35861800    -2.87916800    -0.78650500     
H    -1.23776800     2.75655400    -1.33196700     
027
G17_05209 
N    -1.14853600    -2.60089300    -0.55756500     
C    -1.85863900    -1.38983700    -0.39429000     
C    -1.36145800    -0.17936400     0.06994700     
N    -2.41989600     0.68226100     0.07036400     
N    -3.54790700     0.13856300    -0.40152900     
C    -3.21850500    -1.11888600    -0.67863500     
C    -0.01359400     0.25812100     0.59814000     
O     0.16984500     1.68319700     0.45548800     
C     0.07009500     2.26195300    -0.78967500     
O     0.32990700     3.41600300    -0.92640200     
C     0.00669000     0.03046600     2.06149300     
N     0.01001100    -0.20695200     3.19192300     
C     1.17578600    -0.52314800    -0.03194400     
O     1.13469600    -0.25888200    -1.41326200     
C     2.53092400    -0.10306000     0.58734800     
C     3.62356500    -0.73332200    -0.14213100     
C     4.47391200    -1.26721800    -0.80442400     
H    -1.65050100    -3.23620900    -1.16649500     
H    -1.00206800    -3.07851700     0.32624100     
H    -2.42614700     1.63603200     0.39334200     
H    -3.95699200    -1.79681300    -1.08257700     
H    -0.27047100     1.57662300    -1.57201500     
H     1.00407400    -1.58839100     0.16246300     
H     1.95177800    -0.60446500    -1.79645800     
H     2.63028500     0.98692800     0.54412400     
H     2.56157800    -0.39173800     1.64350000     
H     5.25450400    -1.73107700    -1.35603900     
032
G17_05361 
C    -1.43334900     2.56721900    -0.72949700     
N    -1.25158400     1.48397900     0.20900200     
C    -2.34142500     0.54243200     0.44519200     
C    -1.79716600    -0.21415400     1.65363900     
C    -0.36774400    -0.49091500     1.15071300     
C     0.54444800    -1.03718000     2.24512400     
N    -0.49098400    -1.46647900     0.05847200     
C    -1.49797800    -1.49772900    -0.87798400     
O    -1.51829600    -2.32168900    -1.77025000     
C    -2.59667800    -0.44667800    -0.70938400     
C     0.03461900     0.91884300     0.58156800     
C     1.09320000     0.93244500    -0.59182200     
O     1.40107900     2.26536500    -0.93654000     
C     2.39475000     0.26364100    -0.18227200     
O     3.27225000     0.88850900     0.37239400     
C     2.59462700    -1.15956500    -0.48807900     
N     2.77544900    -2.27372600    -0.74278200     
H    -1.28699400     2.29073900    -1.78669900     
H    -2.45655200     2.94498300    -0.62485300     
H    -0.73886100     3.38056700    -0.51308800     
H    -3.25740300     1.10367500     0.66097100     
H    -1.78176200     0.42739700     2.53833000     
H    -2.32451100    -1.14299100     1.88282300     
H     0.12292700    -1.96155500     2.65121100     
H     1.55358000    -1.26690800     1.89332600     
H     0.63075500    -0.31275600     3.05919800     
H     0.22199300    -2.17241900    -0.06370000     
H    -3.53475200    -0.99313300    -0.55544100     
H    -2.70437400     0.07664900    -1.66462700     
H     0.51733900     1.51939300     1.37212900     
H     0.67481600     0.43646600    -1.47122400     
H     2.12954400     2.53584500    -0.35923300     
035
G17_05806 
C    -4.64089100    -1.73110100     0.42772300     
C    -3.88998400    -0.58631800    -0.20875100     
O    -4.32423400     0.54217400    -0.25182800     
C    -2.50536800    -0.89789200    -0.78471500     
C    -1.41899700    -0.18163600     0.04383600     
O    -1.56151500    -0.57849600     1.39050900     
C    -0.02713400    -0.56403500    -0.48375400     
O     0.92590000     0.23220000     0.19845000     
C     2.23088400     0.10030100    -0.25959700     
C     3.11568500     1.09585900     0.48213100     
C     4.58682500     0.88912000     0.08977800     
C     4.98221300    -0.58567700     0.25024000     
C     3.97501200    -1.47743600    -0.47767900     
O     2.65057100    -1.23406700    -0.02501600     
C    -1.57114800     1.34498800    -0.01800800     
O    -1.51745200     1.82799800    -1.26816100     
O    -1.67900600     2.02975900     0.96729500     
H    -5.61751100    -1.39853300     0.78098100     
H    -4.75749700    -2.55942800    -0.28050800     
H    -4.04302000    -2.10651600     1.26635300     
H    -2.29934000    -1.97200400    -0.76555700     
H    -2.47583400    -0.55086500    -1.82112900     
H    -1.50482600     0.23569800     1.91378600     
H     0.14182300    -1.62781000    -0.28619900     
H     0.03163700    -0.38614300    -1.56763100     
H     2.27251300     0.28826300    -1.35405800     
H     2.78137900     2.11398100     0.26001700     
H     2.97281700     0.92439100     1.55470300     
H     4.73106000     1.19087100    -0.95687900     
H     5.23417000     1.53481400     0.69137200     
H     5.98937400    -0.76760100    -0.14152900     
H     4.98868700    -0.85666900     1.31275100     
H     4.03957100    -1.30597200    -1.56683100     
H     4.16724700    -2.53819000    -0.29495500     
H    -1.62894900     2.78813400    -1.20191100     
034
G17_05942 
C     3.13186200    -0.42961400    -0.70939900     
C     2.32973400    -0.86889000     0.52749700     
C     3.23568800    -0.90172600     1.76993400     
C     1.05278500    -0.03847700     0.82873300     
C     1.31007100     1.47407700     0.96654900     
C     1.03184700     2.07685300    -0.40448000     
O     1.40239400     3.14835500    -0.80646200     
C     0.17608800     1.08749100    -1.20093100     
C    -0.09736300    -0.09791500    -0.25442400     
C    -0.13159600    -1.44629500    -1.01553400     
N    -0.52079900    -2.50695100    -0.25966500     
O     0.16070600    -1.54602900    -2.19256100     
C    -1.47410400     0.01495300     0.46526000     
O    -1.61270500    -0.14969600     1.65502300     
N    -2.52784600     0.24619400    -0.40766600     
C    -3.89506700     0.32607900    -0.13103600     
N    -4.39660900     0.25351400     1.02827900     
H     3.45636700     0.61460900    -0.63967100     
H     4.03659200    -1.03966400    -0.79879900     
H     2.56419300    -0.55647100    -1.63398500     
H     2.00043900    -1.90040600     0.35386200     
H     3.65596700     0.08453300     1.99498300     
H     2.69060000    -1.24172100     2.65674800     
H     4.07733000    -1.58297000     1.60991400     
H     0.63080600    -0.42477100     1.75825800     
H     0.57999900     1.91133900     1.66070000     
H     2.30132400     1.75136000     1.32834500     
H    -0.71283900     1.60798200    -1.56579600     
H     0.71935100     0.74438600    -2.08548500     
H    -0.78755100    -2.40658900     0.70618000     
H    -0.56094400    -3.41556400    -0.69142300     
H    -2.29015300     0.29811800    -1.38612900     
H    -4.45756400     0.46383300    -1.06302400     
H    -5.40996500     0.34244100     0.96766100     
