#MD System 2.0

@Title type II-A v2

@Columns Atom
	AtomicNumber	int	0
	Coordinates	double	{{0.0 0.0 0.0}}
	FFAtomType	string	{{}}
	FFCharge	double	0.0
	Name	string	{{}}
	Point	int	1
	Selection	int	0
@end
@data
6 {11.365225026 -0.156024191396 -0.202065481985} c3 -0.159 C3 1 0
6 {9.32711941309 -0.41067018437 2.03504968844} c1 -0.052999999999999999 C4 1 0
6 {10.8516472275 -0.57585640683 2.1529052556} c1 -0.052999999999999999 C5 1 0
6 {11.4171937558 0.416178274868 1.2221166652} c0 0.0 C6 1 0
6 {11.3664305665 -1.92630813839 1.70927583054} c1 -0.052999999999999999 C7 1 0
6 {12.9272379125 -1.95100882608 1.84360930909} c1 -0.052999999999999999 C8 1 0
6 {13.6252260226 -0.651843619039 1.20471401215} c2 -0.106 C9 1 0
6 {12.8387171833 0.652582114396 1.59955166061} c1oe 0.10700000000000001 C10 1 0
6 {11.2532473762 -4.39277486297 1.96384582718} c2 -0.106 C12 1 0
6 {12.800484758 -4.47228595161 1.90007796201} c1 -0.052999999999999999 C13 1 0
6 {13.4113697812 -3.2508612874 1.15230136194} c1 -0.052999999999999999 C14 1 0
6 {13.1932859695 -5.73907874585 1.16373486316} c2 -0.106 C15 1 0
6 {14.7040077868 -5.91872326197 1.27393247944} c1oe 0.10700000000000001 C16 1 0
6 {15.4138312316 -4.72193377479 0.571147610912} c2 -0.106 C260 1 0
6 {14.9584777771 -3.36388317816 1.20519871034} c2 -0.106 C18 1 0
1 {12.1779456192 -0.868436837839 -0.337323636596} hc 0.052999999999999999 H1 1 0
1 {11.0864453754 -2.09981623393 0.66945541743} hc 0.052999999999999999 H4 1 0
1 {12.9108075097 -5.65396088779 0.11463959293} hc 0.052999999999999999 H6 1 0
1 {15.4031122544 -2.53809287826 0.646774869905} hc 0.052999999999999999 H9 1 0
1 {13.6447579506 -0.746400650829 0.119509595846} hc 0.052999999999999999 H10 1 0
8 {8.33032520392 1.03241756327 0.263788861089} oc -0.32000000000000001 O30 1 0
6 {6.9067648135 1.42551168387 0.504001974853} c2oe 0.054000000000000013 C20 1 0
6 {5.33861852027 3.30602622778 0.0263230334572} cp -0.012999999999999999 C23 1 0
8 {15.0985308078 -7.20639409982 0.606503610837} oc -0.32000000000000001 O28 1 0
6 {14.7771420517 -8.39230355878 1.49866172174} c2oe 0.054000000000000013 C25 1 0
6 {14.1597174446 -7.91789047425 2.8431196233} c2 -0.106 C26 1 0
6 {13.8576728917 -9.14558332232 3.74070721622} c43o 0.10700000000000001 C27 1 0
6 {12.5948208295 -9.8408304469 3.19108746005} cp 0.0 C28 1 0
6 {11.4781301492 -9.03341633985 2.77909801622} cp -0.1268 C29 1 0
6 {10.4774273154 -9.5937727377 1.94686558859} cp -0.1268 C30 1 0
6 {12.578602222 -11.2482466451 2.94617770606} cp -0.1268 C31 1 0
6 {11.5610350834 -11.7430966471 2.14388612847} c5 0.0 C32 1 0
6 {10.5708863196 -10.9345738569 1.64887756899} c5 -0.050000000000000003 C33 1 0
6 {11.3712747865 -13.085732038 1.66216985357} c5 0.0 C34 1 0
6 {10.2856488037 -13.1288375153 0.823947217491} c5 -0.050000000000000003 C35 1 0
6 {12.1227359074 -14.2003032441 1.93866197254} cp -0.1268 C38 1 0
6 {11.7412809364 -15.4272882396 1.33656133295} cp 0.0 C39 1 0
6 {10.6205922513 -15.4646586877 0.42536216124} cp -0.1268 C40 1 0
1 {11.3960479161 -8.00138086519 3.11832057209} hc 0.1268 H13 1 0
1 {13.328797132 -11.9114052359 3.38568804862} hc 0.1268 H14 1 0
1 {12.9858967031 -14.1454039278 2.59936489186} hc 0.1268 H15 1 0
7 {9.69264233367 -11.7633302506 0.771555397267} nb -0.29249999999999998 N3 1 0
6 {6.49893420442 2.48216448336 -0.530524644341} cp -0.13980000000000001 C42 1 0
6 {4.72437087849 4.15354945809 -1.09734408496} c2oe 0.054000000000000013 C43 1 0
8 {3.91594704622 5.24493426673 -0.486937834381} oc -0.32000000000000001 O1 1 0
8 {13.3690896401 1.84888962913 0.855793421511} oc -0.32000000000000001 O2 1 0
6 {13.3079902743 3.06350794098 1.75134458874} c1oe 0.054000000000000013 C44 1 0
6 {14.7364443233 3.52050799975 2.09341323095} c2 -0.106 C45 1 0
6 {14.9400488859 4.93696396967 1.51263311481} c1 -0.052999999999999999 C46 1 0
6 {13.637689995 5.34634090376 0.795858694205} c2 -0.159 C47 1 0
6 {15.2555541671 5.92847080805 2.65906614046} c_0 0.4214 C48 1 0
6 {14.6230869268 7.33606305477 2.67285121425} c2 -0.106 C49 1 0
6 {15.1509162758 8.15758225374 1.4889100943} c1 -0.052999999999999999 C50 1 0
6 {16.5643396198 8.70898048207 1.8033601381} c4o 0.054000000000000006 C51 1 0
6 {14.2051512417 9.33306287967 1.2316131619} c2 -0.106 C55 1 0
6 {14.9117328727 10.311358152 0.311339789845} c5 0.0 C56 1 0
6 {16.0345683829 9.99806579855 -0.48744087641} cp -0.086799999999999988 C57 1 0
7 {16.422124417 11.2399925742 -1.19942880444} nb -0.44 N2 1 0
6 {14.5708726461 11.6893009548 0.11726182984} cp 0.0 C58 1 0
6 {15.4239117206 12.2560848192 -0.787111568646} c5 0.040000000000000001 C59 1 0
1 {17.2947623947 11.3968348694 -1.79432984813} hn 0.35999999999999999 H19 1 0
1 {16.505903142 9.01995545149 -0.586380577527} hc 0.1268 H20 1 0
6 {13.5576503476 12.417297247 0.72305614493} cp -0.1268 C60 1 0
6 {13.4361588633 13.7924199608 0.366324291515} cp 0.0 C61 1 0
6 {14.3044063036 14.3464075305 -0.6275606642} cp -0.1268 C62 1 0
6 {15.320561271 13.5555356337 -1.19470377918} cp -0.1268 C63 1 0
1 {6.80412324004 1.83884530197 1.50687983268} hc 0.052999999999999999 H23 1 0
1 {6.26251176785 0.550751168944 0.402209961673} hc 0.052999999999999999 H24 1 0
1 {5.70730556626 3.96151500197 0.815774487282} hc 0.1268 H26 1 0
1 {14.0680778508 -9.04618402057 0.98625649545} hc 0.052999999999999999 H32 1 0
1 {15.6926107717 -8.94495674231 1.69997800322} hc 0.052999999999999999 H33 1 0
1 {14.8549519543 -7.25465200111 3.35199572767} hc 0.052999999999999999 H34 1 0
1 {13.2318091109 -7.38844365152 2.64796873955} hc 0.052999999999999999 H35 1 0
1 {14.7011691799 -9.83715855672 3.71374826891} hc 0.052999999999999999 H37 1 0
1 {7.34585348477 3.1373900605 -0.733820149309} hc 0.1268 H40 1 0
1 {5.52043680391 4.58802506885 -1.70220732861} hc 0.052999999999999999 H41 1 0
1 {4.08844318006 3.52873118596 -1.7232307345} hc 0.052999999999999999 H42 1 0
1 {12.7690824007 2.81978222584 2.66851205511} hc 0.052999999999999999 H44 1 0
1 {15.4573604607 2.83278779767 1.65059464284} hc 0.052999999999999999 H46 1 0
1 {14.8654326383 3.54351804661 3.17444937471} hc 0.052999999999999999 H47 1 0
1 {15.7637450999 4.92638409879 0.799143204451} hc 0.052999999999999999 H48 1 0
1 {13.8257693204 5.45869744133 -0.272551769159} hc 0.052999999999999999 H49 1 0
1 {13.2684136412 6.28591139313 1.20568618341} hc 0.052999999999999999 H50 1 0
8 {16.0941417154 5.55455369887 3.66623062446} o_1 -0.4214 O8 1 0
1 {14.8781023272 7.83990435792 3.60414994778} hc 0.052999999999999999 H54 1 0
1 {13.5400936427 7.24778493142 2.59393565173} hc 0.052999999999999999 H55 1 0
1 {15.1978475771 7.52808330601 0.599871823558} hc 0.052999999999999999 H56 1 0
1 {16.834466345 9.45972783376 1.05741624467} hc 0.052999999999999999 H58 1 0
1 {17.2881049867 7.89601023524 1.77532383199} hc 0.052999999999999999 H59 1 0
1 {13.9627407099 9.8240287345 2.17463905928} hc 0.052999999999999999 H64 1 0
1 {13.2923438235 8.97447635815 0.757106309291} hc 0.052999999999999999 H65 1 0
1 {12.8831205422 11.9561724214 1.44750249403} hc 0.1268 H66 1 0
1 {14.1737951503 15.3769060283 -0.94905545186} hc 0.1268 H68 1 0
1 {15.9990856321 13.9643714871 -1.938392307} hc 0.1268 H69 1 0
6 {4.71124512806 5.84935486426 0.623771528429} c2oe 0.054000000000000013 C64 1 0
6 {4.2746977082 7.30372891308 0.841025511383} c2 -0.106 C65 1 0
6 {3.04051484892 7.33015747064 1.75157958656} c1 -0.052999999999999999 C66 1 0
6 {2.23095045729 8.61205190419 1.50286477139} c2 -0.106 C67 1 0
6 {2.89280450758 9.77065931766 2.264732879} c2 -0.106 C68 1 0
6 {2.16935121365 6.10778750799 1.47120001828} c2 -0.106 C69 1 0
6 {1.52737994473 5.66039728739 2.77905103096} c2 -0.106 C70 1 0
6 {0.319811329601 4.78824137319 2.46488021113} c1oe 0.10700000000000001 C71 1 0
6 {0.409937649276 3.45751195032 3.24974392324} c1 -0.052999999999999999 C72 1 0
1 {-1.00014993327 2.49622912944 1.9117218023} hc 0.052999999999999999 H70 1 0
1 {-0.0249243851667 1.36388662953 2.87677834117} hc 0.052999999999999999 H71 1 0
6 {0.998054908184 2.17729919312 1.15490845562} c2 -0.106 C73 1 0
1 {0.688446784758 1.38030352961 0.480898463977} hc 0.052999999999999999 H72 1 0
1 {1.04105810601 3.12139163354 0.60955760046} hc 0.052999999999999999 H73 1 0
6 {2.3757759331 1.85769409695 1.72701672074} c1oe 0.10700000000000001 C74 1 0
1 {3.08203301538 1.6897436366 0.913731528917} hc 0.052999999999999999 H74 1 0
6 {2.83805129146 3.04576273753 2.57558831493} c2 -0.106 C75 1 0
1 {3.84475407529 2.85556483054 2.95005763748} hc 0.052999999999999999 H76 1 0
1 {2.84234072127 3.94706253667 1.96438427082} hc 0.052999999999999999 H77 1 0
6 {1.86750457898 3.23115752175 3.76582376652} c2 -0.106 C76 1 0
1 {2.18041305211 4.08948146636 4.35768401586} hc 0.052999999999999999 H78 1 0
1 {1.89389520747 2.339443716 4.39022908372} hc 0.052999999999999999 H79 1 0
6 {-0.00755189438349 2.29659985988 2.31435650148} c2 -0.106 C77 1 0
1 {-0.269363188949 3.49388037855 4.10251141556} hc 0.052999999999999999 H80 1 0
8 {2.28826673369 0.624019307325 2.58433371729} oc -0.32000000000000001 O31 1 0
6 {2.321415811 -0.596367437761 1.70625858404} c2oe 0.054000000000000013 C79 1 0
6 {2.18828114851 -1.87730433107 2.58004158995} c2 -0.106 C80 1 0
6 {2.98708614069 10.9990522748 1.34822891317} cp 0.0 C82 1 0
6 {6.40348531022 12.2256310821 2.13038169021} cp -0.1268 C83 1 0
6 {6.45695299499 13.3686905991 1.32314053702} cp 0.0 C84 1 0
6 {5.3478623596 13.737958778 0.552816168092} cp 0.0 C85 1 0
6 {4.19388193779 12.9488457129 0.56182828302} cp 0.0 C86 1 0
6 {4.139134039 11.7978735358 1.35802369658} cp 0.0 C87 1 0
6 {5.39789022201 14.8951823598 -0.235994785057} cp 0.0 C88 1 0
6 {4.28394218185 15.2738389348 -0.995778299708} cp -0.1268 C89 1 0
6 {3.14724134918 14.4561096291 -1.02764977503} cp 0.0 C90 1 0
6 {3.09784685914 13.299229988 -0.241341920128} cp 0.0 C91 1 0
6 {1.96344572844 12.4813493501 -0.272894889383} cp 0.0 C92 1 0
6 {1.91598767598 11.3238452838 0.507976976365} cp -0.1268 C93 1 0
6 {5.24566547203 11.4368069119 2.14794300099} cp -0.1268 C94 1 0
6 {2.06237198295 14.7903672467 -1.85545012473} cp -0.1268 C95 1 0
6 {0.929973130964 13.9571080523 -1.90002149488} cp 0.0 C96 1 0
6 {0.878605162787 12.8113881302 -1.09809109265} cp -0.1268 C97 1 0
1 {5.20558234869 10.5413305395 2.76910217146} hc 0.1268 H81 1 0
6 {8.65745363509 12.67380539 2.90677528152} cp -0.1268 C252 1 0
1 {4.297559895 16.2103080916 -1.55265711157} hc 0.1268 H85 1 0
1 {-0.00283967639345 12.1722982189 -1.11841509218} hc 0.1268 H88 1 0
1 {1.05206635354 10.6632983673 0.447645458853} hc 0.1268 H89 1 0
6 {-0.24794391798 14.2892454896 -2.853600256} c2 -0.106 C98 1 0
6 {-1.56547362694 14.4153765386 -2.05767016362} c1 -0.052999999999999999 C99 1 1
6 {-4.16854530021 13.2566653723 -2.43446784382} c1oe 0.10700000000000001 C100 1 1
6 {-4.36157885378 14.2773261231 -3.58003520832} c2 -0.106 C101 1 0
6 {-4.25557113958 15.7090699777 -3.02071725335} c2 -0.106 C102 1 0
6 {-2.88348238562 17.772531524 -3.39712766247} c2 -0.106 C103 1 0
6 {-2.05038543875 18.4334890376 -2.28572781541} c_1 0.56200000000000006 C104 1 0
8 {-1.91207874992 17.8145654764 -1.07881506323} o_1 -0.45000000000000001 O3 1 0
8 {-1.39241766907 19.7564813275 -2.52796687942} o_2 -0.53500000000000003 O4 1 0
1 {4.54896177823 5.27948708004 1.53920591722} hc 0.052999999999999999 H87 1 0
1 {5.76861515734 5.82321810619 0.363537525711} hc 0.052999999999999999 H90 1 0
1 {4.03372711105 7.76053945237 -0.118037315707} hc 0.052999999999999999 H91 1 0
1 {5.08489456334 7.85608106218 1.31500733397} hc 0.052999999999999999 H92 1 0
1 {3.36187830781 7.3067852194 2.79099027424} hc 0.052999999999999999 H93 1 0
1 {1.20977630335 8.47485642826 1.86351663407} hc 0.052999999999999999 H94 1 0
1 {2.21361008146 8.83617835951 0.434945070644} hc 0.052999999999999999 H95 1 0
1 {3.8927874545 9.47249843131 2.57700118981} hc 0.052999999999999999 H96 1 0
1 {2.2956885802 10.0159165221 3.14343792539} hc 0.052999999999999999 H97 1 0
1 {1.39191499849 6.36429573859 0.750361648582} hc 0.052999999999999999 H98 1 0
1 {2.78474113707 5.30169755811 1.0732908759} hc 0.052999999999999999 H99 1 0
1 {2.24779072183 5.09601661867 3.35873210977} hc 0.052999999999999999 H100 1 0
1 {1.20822826597 6.53568046233 3.34537194371} hc 0.052999999999999999 H101 1 0
1 {0.30231308392 4.57269029402 1.3989296878} hc 0.052999999999999999 H103 1 0
1 {1.49773532112 -0.551174845575 0.99322955262} hc 0.052999999999999999 H106 1 0
1 {3.26748195124 -0.62264919989 1.16521273757} hc 0.052999999999999999 H107 1 0
1 {3.11752527333 -2.44105889888 2.53730369795} hc 0.052999999999999999 H109 1 0
1 {-0.350373341998 13.4887821152 -3.58694174983} hc 0.052999999999999999 H113 1 0
1 {-0.0453809514929 15.2266386931 -3.36950653349} hc 0.052999999999999999 H114 1 0
1 {-1.4245076018 14.0296655658 -1.04855467977} hc 0.052999999999999999 H116 1 0
1 {-3.73811281363 12.3387748793 -2.835405418} hc 0.052999999999999999 H118 1 0
1 {-3.58965534637 14.1242594798 -4.33598217671} hc 0.052999999999999999 H119 1 0
1 {-5.3427822757 14.1374012764 -4.0305701593} hc 0.052999999999999999 H120 1 0
1 {-3.91785250535 18.1118900134 -3.32640682874} hc 0.052999999999999999 H123 1 0
1 {-2.47644556848 18.0467397222 -4.37185188356} hc 0.052999999999999999 H124 1 0
1 {-1.958755902 20.5138696599 -2.07393165271} ho2 0.42299999999999999 H127 1 0
8 {16.5709055613 9.33997854219 3.16455699908} oh -0.56999999999999995 O7 1 0
1 {17.1492196563 10.2188266403 3.1390985196} ho 0.40999999999999998 H130 1 0
6 {12.5249330634 -16.7063939331 1.66335344707} c2 -0.106 C105 1 0
6 {12.6525815494 -16.8365842622 3.20017844596} c2 -0.106 C106 1 0
6 {11.6676670253 -19.0106400207 4.11602073856} cp 0.0 C107 1 0
6 {10.6177547898 -19.7950453993 4.50868111734} cp 0.0 C109 1 0
6 {8.13654221322 -20.2358172849 4.87287650296} c2 -0.106 C110 1 0
6 {7.82012467546 -21.0788200667 3.6107171961} c2 -0.106 C111 1 0
6 {6.292542474 -21.1241877569 3.37600281958} c2oe 0.054000000000000006 C112 1 0
6 {5.71139319224 -20.9186080955 1.95429623311} c2oe 0.054000000000000006 C113 1 0
6 {11.0348624779 -21.2269354206 4.88865115522} c1 -0.052999999999999999 C247 1 0
6 {4.74763996565 -19.7130772916 1.9750632711} c1 0.0 C115 1 0
6 {5.51263590197 -18.447551107 1.60312052097} c2 -0.1268 C116 1 0
6 {4.65134715837 -17.2326078113 1.94498222273} c2 -0.1268 C117 1 0
6 {3.60102222957 -19.9232293898 0.965767722071} c2 -0.1268 C118 1 0
6 {2.72399310462 -18.6368306971 0.887136835278} cp 0.0 C119 1 0
6 {3.25306444999 -17.3666765915 1.28922036758} cp 0.0 C120 1 0
6 {1.3692671558 -18.7161793373 0.387949063683} cp 0.0 C121 1 0
6 {0.5794293464 -17.5459023543 0.28835432843} cp 0.0 C122 1 0
6 {1.16007512691 -16.3213165778 0.596560786607} cp -0.1268 C123 1 0
6 {2.47371325104 -16.2394066537 1.10773028874} cp -0.1268 C124 1 0
6 {0.81800858876 -19.9538721807 0.0212334930659} cp -0.1268 C125 1 0
6 {-0.53992832227 -20.0405404264 -0.343191931436} cp -0.1268 C126 1 0
6 {-1.31869971123 -18.8780264537 -0.455367510851} cp 0.042000000000000003 C127 1 0
6 {-0.761958617842 -17.6264946752 -0.131522298891} cp -0.1268 C128 1 0
1 {5.13769523894 -16.3297977838 1.57729968996} hc 0.1268 H125 1 0
1 {5.7330139166 -18.4517528453 0.535441971151} hc 0.1268 H126 1 0
1 {4.01954309511 -20.1364057205 -0.0179402680625} hc 0.1268 H131 1 0
1 {1.44666404035 -20.8431791048 -0.00916624015383} hc 0.1268 H132 1 0
1 {-0.995492747399 -21.0166954034 -0.517196077764} hc 0.1268 H133 1 0
1 {-1.36941387616 -16.7232833386 -0.19865492536} hc 0.1268 H135 1 0
8 {-2.74919015688 -18.9828498438 -0.922823251186} oc -0.20200000000000001 O11 1 0
6 {-3.44307048412 -17.6667967337 -0.756169240395} c2oe 0.054000000000000013 C129 1 0
6 {-3.88522634677 -17.5133629298 0.701258096827} c2 -0.106 C130 1 0
6 {-3.16945776836 -16.3215823025 1.32698677315} c2 -0.106 C131 1 0
6 {-4.21199750702 -15.4174015902 1.96279384427} c2 -0.106 C132 1 0
6 {-4.40677334462 -14.1956979201 1.0678467481} c2 -0.052999999999999999 C133 1 0
6 {-4.01346591007 -11.7595624679 1.48956137268} c2 -0.106 C135 1 0
6 {-3.34580221128 -13.1410838676 1.40936514571} c2 -0.106 C136 1 0
1 {-2.8871310674 -13.3822545057 2.36917493491} hc 0.052999999999999999 H138 1 0
1 {8.82605276163 -11.4477295872 0.230072747325} hn 0.39250000000000002 H139 1 0
1 {13.5184599581 -16.6462355569 1.21861557033} hc 0.052999999999999999 H140 1 0
1 {11.9970441364 -17.572443474 1.26265936468} hc 0.052999999999999999 H141 1 0
1 {13.597587503 -17.3132833784 3.44996152061} hc 0.052999999999999999 H142 1 0
1 {12.6168498226 -15.8422228515 3.64861687949} hc 0.052999999999999999 H143 1 0
1 {8.40261928228 -20.899451703 5.69795970513} hc 0.052999999999999999 H148 1 0
1 {7.26281396721 -19.6440443416 5.14761916203} hc 0.052999999999999999 H149 1 0
1 {8.19564980301 -22.0925276172 3.7493482597} hc 0.052999999999999999 H150 1 0
1 {8.30682719228 -20.6282554385 2.74532973823} hc 0.052999999999999999 H151 1 0
8 {5.45242501437 -21.3434791953 4.42473951636} hc 0.052999999999999999 O29 1 1
1 {5.16922513421 -21.8144580122 1.64799604828} hc 0.052999999999999999 H154 1 0
1 {6.52339770588 -20.7258567631 1.25064474878} hc 0.052999999999999999 H155 1 0
1 {-2.76300483679 -16.8575917566 -1.01961368325} hc 0.052999999999999999 H158 1 0
1 {-3.6392947927 -18.4163789658 1.25509572408} hc 0.052999999999999999 H159 1 0
1 {-4.96219152103 -17.3454435945 0.737640592636} hc 0.052999999999999999 H160 1 0
1 {-2.63218993777 -15.769000904 0.553863513915} hc 0.052999999999999999 H161 1 0
1 {-2.46870453335 -16.6669869562 2.08510658017} hc 0.052999999999999999 H162 1 0
1 {-3.87551586587 -15.1046345707 2.95004564651} hc 0.052999999999999999 H163 1 0
1 {-5.15467388376 -15.9591246443 2.05059748905} hc 0.052999999999999999 H164 1 0
6 {-3.5293374969 -10.8921913621 0.313183662409} c1 -0.052999999999999999 C138 1 0
6 {-4.74076111676 -10.2189344289 -0.372951201888} c2oe 0.054000000000000013 C139 1 0
6 {-5.21680427196 -9.0118672527 0.456825095042} c1oe 0.10700000000000001 C140 1 0
1 {-8.21744933814 -8.23858784433 -2.05397430405} hc 0.052999999999999999 H169 1 0
6 {-7.37778064848 -8.01707182513 -1.39595111411} c1 -0.052999999999999999 C141 1 0
1 {-5.23474467111 -8.12164530518 -0.173258963023} hc 0.052999999999999999 H170 1 0
6 {-6.6352024369 -9.29615647114 0.986711566668} c2 -0.106 C142 1 0
1 {-7.15215919683 -9.95880987351 0.292535039597} hc 0.052999999999999999 H171 1 0
1 {-6.56973975834 -9.77370118055 1.96238249898} hc 0.052999999999999999 H172 1 0
6 {-7.88378609785 -7.2469134165 -0.159040439697} c2 -0.106 C143 1 0
1 {-8.97414559129 -7.20638216512 -0.176104631723} hc 0.052999999999999999 H173 1 0
1 {-7.48133949824 -6.23492736349 -0.165766454054} hc 0.052999999999999999 H174 1 0
6 {-7.41893963766 -7.97790904982 1.11027526114} c2 -0.106 C144 1 0
6 {-6.33463842943 -7.16919840479 -2.15747097254} c2 -0.106 C145 1 0
6 {-6.85654959092 -5.73450335422 -2.33320766246} c2 -0.106 C146 1 0
6 {-7.21735465289 -5.49505067325 -3.80602401345} c2 -0.106 C148 1 0
6 {-8.2674433753 -4.38664368294 -3.87919633131} cp 0.0 C149 1 0
6 {-11.6150628023 -5.81281661143 -4.83258152761} cp -0.17680000000000001 C150 1 0
6 {-10.2278435843 -5.96652571491 -4.6150219171} cp -0.1268 C151 1 0
6 {-9.67831949651 -4.69823139511 -4.233263925} cp 0.0 C152 1 0
6 {-10.6344153097 -3.7383948096 -4.21583807326} cp -0.050000000000000003 C153 1 0
7 {-11.9344113578 -4.37132398345 -4.58494733958} nb -0.29249999999999998 N4 1 0
6 {-7.95422642963 -3.04574155012 -3.56561443892} cp -0.1268 C154 1 0
6 {-9.00144301396 -2.04554053718 -3.55915169316} cp 0.0 C155 1 0
6 {-10.36112552 -2.40892304936 -3.88915374276} cp -0.1268 C156 1 0
1 {-12.8909539511 -3.89867417757 -4.65343423604} hn 0.39250000000000002 H168 1 0
1 {-12.3186421152 -6.59754369249 -5.11419261903} hc 0.1268 H177 1 0
1 {-9.66342957248 -6.89221925921 -4.73514716253} hc 0.1268 H178 1 0
1 {-6.92732901551 -2.76433254262 -3.32773768364} hc 0.1268 H179 1 0
1 {-11.1546416367 -1.66166434351 -3.88331686108} hc 0.1268 H181 1 0
6 {-8.65507328974 -0.582738357751 -3.19258659498} c2 -0.106 C157 1 0
6 {-9.69372072315 -0.0387842835706 -2.19614637985} c2 -0.106 C158 1 0
6 {-8.96555623297 0.59684287138 -0.995341644594} c2 -0.040999999999999995 C159 1 0
16 {-10.0327442138 1.80223391571 -0.214976166849} sc -0.13 S3 1 0
6 {-10.1686037595 3.24232627054 -1.2654961463} c2 -0.040999999999999995 C160 1 0
6 {-8.99302153229 3.26104309902 -2.27071515856} c2 0.1048 C161 1 0
7 {-8.41986164321 4.66636544059 -2.35097167146} nb -0.46159999999999995 N8 1 0
6 {-9.20803630615 5.86327127271 -2.63486027698} c5 0.040000000000000001 C163 1 0
6 {-8.47140378377 6.95462922282 -2.46593964786} cp 0.0 C164 1 0
6 {-9.02803650116 8.21884659024 -2.55621202213} cp 0.0 C165 1 0
6 {-10.5504362847 5.92057815977 -2.99776724408} cp 0.0 C166 1 0
6 {-11.132624815 7.17721650014 -3.17320190865} cp 0.0 C167 1 0
6 {-10.3655350128 8.33760915601 -2.95339456574} cp 0.0 C168 1 0
6 {-12.4620986173 7.28095389601 -3.56298676684} cp 0.0 C169 1 0
6 {-13.0214410848 8.54269056833 -3.80395867527} cp 0.0 C170 1 0
6 {-12.2673210084 9.703274993 -3.54536222307} cp -0.1268 C171 1 0
6 {-10.9411125823 9.59387678919 -3.1085713217} cp -0.1268 C172 1 0
6 {-13.2239322539 6.12227611439 -3.74195845139} cp 0.24049999999999999 C173 1 0
6 {-14.5409772991 6.2159440702 -4.20674002989} cp -0.1268 C174 1 0
6 {-15.1019344038 7.47037007076 -4.49255002214} cp 0.0 C175 1 0
6 {-14.3297853743 8.64958142841 -4.30217979911} cp 0.0 C176 1 0
6 {-16.54740112 7.5434751583 -5.01770983292} c43o 0.10700000000000001 C177 1 0
6 {-16.7331195031 8.827702296 -5.81111103114} c2 -0.106 C178 1 0
6 {-16.4148482572 10.0083098635 -4.90208921286} c2 -0.106 C179 1 0
6 {-14.897465493 10.0643322764 -4.64141201967} c2 -0.106 C180 1 0
1 {-15.1318972224 5.31177692624 -4.35043293878} hc 0.1268 H185 1 0
1 {-16.0584277937 8.83065278492 -6.66750470051} hc 0.052999999999999999 H187 1 0
1 {-16.7342382391 10.9327480902 -5.38440620937} hc 0.052999999999999999 H188 1 0
1 {-14.3966246133 10.4449624626 -5.53109342448} hc 0.052999999999999999 H189 1 0
1 {-12.7150919275 10.6869485071 -3.68094525497} hc 0.1268 H190 1 0
1 {-10.3626627119 10.4896947311 -2.88168390749} hc 0.1268 H191 1 0
6 {-8.22267641852 9.45726505735 -2.18708951921} c2 -0.106 C182 1 0
6 {-8.39928322891 9.6834398023 -0.677349996811} c2 -0.106 C183 1 0
6 {-8.80367694755 11.1416820771 -0.398791110115} c2 -0.106 C184 1 0
6 {-7.6368459025 11.8600007259 0.288001257488} c1oe 0.10700000000000001 C185 1 0
6 {-6.3340984443 11.107656076 -0.0230432440855} c2 -0.106 C186 1 0
6 {-5.27197323978 12.0998648911 -0.509438993999} c2 -0.106 C187 1 0
6 {-5.52136228353 12.9391127571 -1.77703053747} c1oe 0.10700000000000001 C188 1 0
6 {-6.23139147574 14.2521919095 -1.39653776126} c2oe 0.054000000000000006 C189 1 0
1 {-4.45262329326 -9.88260665906 -1.36804485791} hc 0.052999999999999999 H192 1 0
1 {-5.55410813996 -10.9393352739 -0.456734192113} hc 0.052999999999999999 H193 1 0
1 {-5.40242184935 -7.14790881739 -1.5944536025} hc 0.052999999999999999 H194 1 0
1 {-6.15592596271 -7.6113906502 -3.13766120861} hc 0.052999999999999999 H195 1 0
1 {-6.08573945265 -5.02720313902 -2.03099092236} hc 0.052999999999999999 H196 1 0
1 {-7.74365536088 -5.59113770439 -1.71559376552} hc 0.052999999999999999 H199 1 0
1 {-7.62624586119 -6.41171640345 -4.23528188656} hc 0.052999999999999999 H200 1 0
1 {-6.32860289549 -5.19691366227 -4.35970779886} hc 0.052999999999999999 H201 1 0
1 {-8.65868145485 0.031148558743 -4.09353968294} hc 0.052999999999999999 H202 1 0
1 {-7.66509654923 -0.548871402016 -2.7352038636} hc 0.052999999999999999 H203 1 0
1 {-10.3105155362 0.713499856474 -2.68806659219} hc 0.052999999999999999 H204 1 0
1 {-10.3244789489 -0.855243676213 -1.84777679264} hc 0.052999999999999999 H205 1 0
1 {-8.0558512556 1.08678026481 -1.34062825428} hc 0.052999999999999999 H206 1 0
1 {-8.70851601317 -0.1781804025 -0.27562653193} hc 0.052999999999999999 H207 1 0
1 {-10.1374701275 4.14346755089 -0.652461308267} hc 0.052999999999999999 H208 1 0
1 {-11.1132512503 3.20501122994 -1.80676043426} hc 0.052999999999999999 H209 1 0
1 {-9.34968757906 2.95617781152 -3.25393967859} hc 0.052999999999999999 H210 1 0
1 {-8.21932521946 2.57379597277 -1.93563656398} hc 0.052999999999999999 H211 1 0
1 {-7.16808180408 9.29769264205 -2.41988036528} hc 0.052999999999999999 H217 1 0
1 {-8.59699636907 10.3206965028 -2.7401021728} hc 0.052999999999999999 H218 1 0
1 {-7.46736250582 9.45800850344 -0.165275876877} hc 0.052999999999999999 H219 1 0
1 {-9.18029198491 9.01901390375 -0.309473127656} hc 0.052999999999999999 H220 1 0
1 {-9.04299860467 11.6434802902 -1.33613836798} hc 0.052999999999999999 H221 1 0
1 {-6.51858255191 10.3697255742 -0.801889957125} hc 0.052999999999999999 H222 1 0
1 {-5.97988859648 10.6056550837 0.877802591787} hc 0.052999999999999999 H223 1 0
8 {-4.10005418501 12.2308806882 0.174165251563} hc 0.052999999999999999 O33 1 0
1 {-6.14445566086 12.3749091288 -2.47307897775} hc 0.052999999999999999 H226 1 0
1 {-7.23363356257 14.0322118991 -1.03224324723} hc 0.052999999999999999 H229 1 0
6 {1.02438595518 -2.75832806522 2.05562835946} cp 0.0 C191 1 0
6 {-3.62040035599 -2.92979366296 1.02728790466} cp 0.0 C192 1 0
6 {-3.50356392236 -4.10810275668 0.24715519666} cp -0.012999999999999999 C193 1 0
6 {-2.21824338668 -4.75390131889 0.154389351727} cp -0.1268 C194 1 0
1 {-2.10824224983 -5.69387352897 -0.388284387252} hc 0.1268 H236 1 0
6 {-1.09782853641 -4.15148561044 0.795118046712} cp 0.0 C195 1 0
6 {-1.27986528289 -2.9798879061 1.44509520729} c5 0.0 C196 1 0
6 {-0.267857510965 -2.29270025261 2.06356229699} cs -0.1268 C197 1 0
6 {-2.51081490081 -2.3981920099 1.57118296847} c5 0.0 C198 1 0
6 {1.24867922181 -4.06904888023 1.50771637574} cp -0.1268 C199 1 0
6 {0.184673081858 -4.72969083565 0.796982750656} cp 0.0 C200 1 0
6 {-2.52481613524 -1.23836262354 2.31810695731} cs -0.1268 C201 1 0
6 {-3.72200693063 -0.59679316698 2.61670427211} cp 0.0 C202 1 0
6 {-4.88865283473 -1.16175597125 2.04662450695} cp 0.0 C203 1 0
6 {-4.83136127415 -2.28440243518 1.28018444612} c5 0.0 C204 1 0
6 {-6.29581331335 -0.646331310902 2.23604767523} c43o 0.10700000000000001 C205 1 0
6 {-6.17768048245 -2.7521780797 0.801645449563} c2 -0.012999999999999999 C206 1 0
1 {-7.85793962111 -2.21132964283 2.1337247685} hc 0.052999999999999999 H245 1 0
1 {-7.75246013915 -1.20523488301 0.663893399401} hc 0.052999999999999999 H246 1 0
6 {-7.18389711756 -1.70412788232 1.44530601163} c2 -0.106 C207 1 0
16 {-0.888183905703 -0.816089008434 2.83220695464} sp 0.1268 S6 1 0
6 {4.70707897554 -6.70926243191 2.32559835004} c2 -0.106 C208 1 0
6 {4.19075370448 -5.73785092057 3.39947900238} c1 -0.052999999999999999 C209 1 0
6 {4.32862136038 -6.39827076361 4.80555928412} ? -0.052999999999999999 C210 1 0
6 {3.36968195273 -7.60095991974 4.93590456891} c2 -0.106 C211 1 0
6 {9.33584130185 -8.73254119526 1.36638488657} c2 -0.106 C212 1 0
6 {9.05900864217 -7.5131398207 2.27746389475} c2 -0.106 C213 1 0
6 {8.27588974456 -6.45887652154 1.47156916889} c1 -0.052999999999999999 C214 1 0
6 {6.90197969873 -7.03666309242 1.09997464554} c1 -0.052999999999999999 C215 1 0
6 {5.8325813367 -6.01335327352 1.53686910185} c1 -0.106 C216 1 0
6 {6.84117032017 -7.28020097863 -0.420058282137} c_1 0.56200000000000006 C217 1 0
8 {5.58507098946 -6.99047097229 -1.17950365331} o_2 -0.53500000000000003 O15 1 0
8 {7.93605100978 -7.77059246698 -1.07347101742} o_1 -0.45000000000000001 O16 1 0
1 {3.89396079671 -6.97632622123 1.65063891905} hc 0.052999999999999999 H251 1 0
1 {5.09618195644 -7.60835120703 2.80421236781} hc 0.052999999999999999 H252 1 0
1 {4.79260877908 -4.83394191975 3.37494552866} hc 0.052999999999999999 H253 1 0
1 {5.35413610174 -6.73964042623 4.94263945081} hc 0.052999999999999999 H255 1 0
1 {3.61211788655 -8.34887023329 4.18020371034} hc 0.052999999999999999 H256 1 0
1 {3.46413085133 -8.03960540514 5.93034733858} hc 0.052999999999999999 H258 1 0
1 {9.62294503931 -8.38153594173 0.374525051925} hc 0.052999999999999999 H259 1 0
1 {8.43242950307 -9.33743674855 1.28598539984} hc 0.052999999999999999 H260 1 0
1 {9.9997535435 -7.08785033606 2.6205364012} hc 0.052999999999999999 H261 1 0
1 {8.4643325674 -7.82787419868 3.13546066344} hc 0.052999999999999999 H262 1 0
1 {8.82595821451 -6.20266901176 0.565080036003} hc 0.052999999999999999 H264 1 0
1 {6.74682838153 -7.97701629583 1.62716226468} hc 0.052999999999999999 H265 1 0
1 {5.41668483852 -5.51383440912 0.661572987653} hc 0.052999999999999999 H266 1 0
1 {4.92017021658 -7.79495497413 -1.06965627549} ho2 0.42299999999999999 H269 1 0
6 {-2.55855556663 -9.81653016523 0.836205334878} c2 -0.106 C218 1 0
6 {-2.35702550495 -10.0004737535 2.36035140491} c_0 0.4214 C219 1 0
8 {-1.30863816888 -10.740074829 2.82104436485} o_1 -0.4214 O17 1 0
6 {-3.35121475175 -9.36074967161 3.36153928387} c2 -0.106 C220 1 0
6 {0.917903378033 -8.2282280353 5.05205275212} c2 -0.052999999999999999 C221 1 0
6 {-0.450025106058 -7.67072625081 4.72521333551} c1oe 0.10700000000000001 C222 1 0
6 {-0.525837540239 -7.43286736701 3.26587514162} c1 -0.052999999999999999 C223 1 0
8 {-1.59722931335 -8.58552868452 5.03084067907} oc -0.32000000000000001 O18 1 0
6 {-2.70068815113 -8.14143283176 4.05465197525} c1oe 0.054000000000000013 C224 1 0
6 {-2.00478360387 -7.2417112376 2.99446511716} c2 -0.106 C225 1 0
1 {-0.590351932722 -6.72676686005 5.25472864729} hc 0.052999999999999999 H272 1 0
1 {-3.45973445664 -7.56867047961 4.58933283719} hc 0.052999999999999999 H273 1 0
1 {-2.28765902568 -6.19753520849 3.13792836153} hc 0.052999999999999999 H275 1 0
1 {-2.25642387997 -7.57235733831 1.98884174239} hc 0.052999999999999999 H276 1 0
6 {0.339317133241 -6.23909265268 2.90630157952} c2 -0.106 C232 1 0
1 {-1.59808758784 -9.91937209334 0.32748954005} hc 0.052999999999999999 H271 1 0
1 {-2.96968876665 -8.8286552103 0.637940685841} hc 0.052999999999999999 H281 1 0
1 {-4.2405786497 -9.03344898276 2.82559383601} hc 0.052999999999999999 H282 1 0
1 {-3.63336400467 -10.0963871411 4.11211473239} hc 0.052999999999999999 H283 1 0
1 {1.12029572539 -9.10962464422 4.44713854728} hc 0.052999999999999999 H285 1 0
6 {-6.94784319829 5.03220015354 -2.10189901296} c1 0.1578 C231 1 0
6 {-6.43337792659 4.48013355205 -0.751197427055} c2 -0.106 C235 1 0
6 {-5.06236158109 3.79967215779 -0.986747238121} c2 -0.106 C236 1 0
6 {-4.01618352389 4.31727293364 0.0286830992002} cp 0.0 C237 1 0
6 {-3.53666995671 1.91228655466 2.74898303532} cp -0.050000000000000003 C238 1 0
6 {-4.19949311008 2.31120108768 1.56181010962} c5 -0.1268 C239 1 0
6 {-3.66814369401 3.57603857034 1.14318538035} cp 0.0 C240 1 0
6 {-2.70188975811 3.99190963009 2.01631828248} c5 -0.050000000000000003 C241 1 0
7 {-2.56131160486 2.98099122139 3.08455319936} nb -0.29249999999999998 N6 1 0
6 {-3.3492002359 5.55323079824 -0.175517246886} cp 0.042000000000000003 C242 1 0
6 {-2.33745189635 5.98220444481 0.758167942181} cp -0.1268 C243 1 0
6 {-2.01131622852 5.15505740906 1.86484036416} cp 0.042000000000000003 C244 1 0
1 {-1.91870187628 3.02761572995 3.9391008889} hn 0.39250000000000002 H292 1 0
1 {-4.98650113062 1.75521919318 1.05756689039} hc 0.1268 H294 1 0
1 {-1.82767006022 6.93467998664 0.61513930316} hc 0.1268 H296 1 0
8 {-3.68638010877 6.40047690633 -1.36506190681} oc -0.20200000000000001 O19 1 0
6 {-2.68972638029 6.14059397403 -2.45879593527} c3oe 0.0010000000000000148 C246 1 0
8 {13.6229161749 -8.68777587106 5.15242534146} oh -0.56999999999999995 O20 1 0
1 {-6.32596603934 4.67051820725 -2.91921326209} hc 0.052999999999999999 H298 1 0
1 {-7.14183242153 3.74770506628 -0.361848867911} hc 0.052999999999999999 H299 1 0
1 {-6.321392171 5.29698124621 -0.0367235805728} hc 0.052999999999999999 H300 1 0
1 {-4.72113820245 4.02715071893 -1.99721255486} hc 0.052999999999999999 H301 1 0
1 {-5.16975904879 2.72174032408 -0.877895701254} hc 0.052999999999999999 H302 1 0
1 {-2.95933712048 5.22583335907 -2.98846067515} hc 0.052999999999999999 H305 1 0
1 {-1.6952152825 6.0294356464 -2.02554481605} hc 0.052999999999999999 H306 1 0
1 {13.8961958303 -7.67430325217 5.24098469217} ho 0.40999999999999998 H310 1 0
8 {-0.9344365364 5.52694354938 2.83482432387} oc -0.20200000000000001 O25 1 0
1 {-6.55993076427 -0.637479972797 3.29275732569} hc 0.052999999999999999 H297 1 0
6 {7.61882929187 14.1400470225 1.28398316947} cp -0.1268 C248 1 0
6 {9.96562297091 14.6786855039 2.08099216343} c2 -0.106 C249 1 0
6 {8.71081291374 13.8027360948 2.08915179788} cp 0.0 C250 1 0
1 {10.2366217882 14.9301917313 3.1054178742} hc 0.052999999999999999 H316 1 0
1 {9.76304056578 15.5954456038 1.52532680763} hc 0.052999999999999999 H317 1 0
1 {9.50654802185 12.4224922638 3.54279233366} hc 0.1268 H319 1 0
1 {7.67821266787 15.0007082899 0.618124695285} hc 0.1268 H314 1 0
6 {11.1326475906 13.9249446219 1.41445071406} c_0 0.4214 C253 1 0
6 {12.3952913998 14.7053041787 1.03372207572} c2 -0.106 C254 1 0
8 {11.0432623701 12.5854473789 1.16949860528} o_1 -0.4214 O26 1 0
1 {12.1257154643 15.5001926231 0.33995282035} hc 0.052999999999999999 H315 1 0
1 {12.8283833865 15.144926567 1.93070454988} hc 0.052999999999999999 H324 1 0
1 {-9.67575623832 11.156898888 0.256137095447} hc 0.052999999999999999 H325 1 0
1 {-5.39971725106 -13.7819028815 1.22807957331} hc 0.052999999999999999 H326 1 0
1 {-3.74548722 -11.2811497196 2.43065886347} hc 0.052999999999999999 H327 1 0
1 {-5.0958025416 -11.8762670097 1.43579681183} hc 0.052999999999999999 H329 1 0
1 {-2.57998849468 -13.1313491206 0.63281797684} hc 0.052999999999999999 H330 1 0
1 {-4.29949092258 -14.4928823508 0.0239853891335} hc 0.052999999999999999 H331 1 0
8 {-6.44993040094 0.719954247362 1.64017605236} oh -0.56999999999999995 O27 1 0
1 {-7.47184355705 0.954653100823 1.5693038569} ho 0.40999999999999998 H312 1 0
1 {0.250621748422 -6.03344043439 1.84252448836} hc 0.052999999999999999 H336 1 0
6 {-11.3110511926 4.76535278378 -3.18676859786} cp 0.1137 C255 1 0
7 {-12.6684538888 4.8757353954 -3.46417609097} np -0.48099999999999998 N7 1 0
1 {-10.8413534818 3.78581191367 -3.13424527222} hc 0.1268 H335 1 0
6 {-2.83313499735 16.2429184886 -3.22591556788} c1 -0.052999999999999999 C256 1 0
6 {-1.99280081512 15.8946165337 -1.98842755504} c2 -0.106 C257 1 0
1 {-2.39026298785 15.7868711177 -4.11352920112} hc 0.052999999999999999 H338 1 0
1 {-2.59263658953 16.0571879179 -1.0911388056} hc 0.052999999999999999 H339 1 0
6 {1.9470074065 -7.10266493827 4.72797909595} c1 -0.052999999999999999 C258 1 0
1 {1.76896981434 -6.26197619028 5.39768808059} hc 0.052999999999999999 H342 1 0
1 {-4.31940723358 -17.6311875019 -1.40561373835} hc 0.052999999999999999 H343 1 0
1 {-6.29798969095 14.8955923094 -2.27275560428} hc 0.052999999999999999 H320 1 0
6 {-3.7838176026 0.631541187115 3.54971273547} c2 -0.106 C259 1 0
1 {-4.76643730374 0.683521060706 4.01534603342} hc 0.052999999999999999 H293 1 0
1 {-3.02105482834 0.537504304254 4.32368261524} hc 0.052999999999999999 H344 1 0
1 {10.412905634 -0.660512945321 -0.354346525429} hc 0.052999999999999999 H347 1 0
1 {12.9143310075 0.820323696494 2.67479514568} hc 0.052999999999999999 H349 1 0
1 {11.1774732047 -0.364350017239 3.17227476485} hc 0.052999999999999999 H350 1 0
1 {14.6484460343 -0.576829817518 1.57545877681} hc 0.052999999999999999 H353 1 0
1 {13.1867209745 -2.00096784342 2.89909168726} hc 0.052999999999999999 H354 1 0
1 {15.2905825923 -3.31926033234 2.24235278122} hc 0.052999999999999999 H357 1 0
1 {14.9925714747 -5.94923799765 2.32281419338} hc 0.052999999999999999 H358 1 0
1 {13.199795046 -4.50707296537 2.91179263189} hc 0.052999999999999999 H359 1 0
1 {12.6861829527 -6.58945240908 1.60743050537} hc 0.052999999999999999 H361 1 0
1 {16.4928600008 -4.82827584128 0.683815851113} hc 0.052999999999999999 H362 1 0
1 {15.1613644119 -4.72615202654 -0.4896338963} hc 0.052999999999999999 H363 1 0
1 {-16.7437058899 6.68694377956 -5.66169022299} ho 0.40999999999999998 H313 1 0
1 {-2.6903588977 6.97758533993 -3.15642498404} hc 0.052999999999999999 H308 1 0
6 {12.5649668973 -21.1292639619 4.67257956472} c2 -0.106 C261 1 0
6 {13.0168787169 -19.7404653648 4.15128162099} c1 -0.052999999999999999 C262 1 0
8 {13.4278471221 -22.1549630186 4.9273141958} hc 0.052999999999999999 O34 1 0
1 {13.4476563133 -19.8161727551 3.15384907012} hc 0.052999999999999999 H309 1 0
1 {1.98576078386 -1.58968923383 3.61087669232} hc 0.052999999999999999 H367 1 0
6 {1.8195876222 -6.60245293572 3.24926470494} c1 -0.052999999999999999 C245 1 0
6 {2.71522369669 -5.35587038877 3.10432106157} c1 -0.052999999999999999 C264 1 0
6 {2.61008433027 -4.76567120717 1.66784597874} c3 -0.159 C265 1 0
1 {2.16893194026 -7.38333654483 2.56951418974} hc 0.052999999999999999 H289 1 0
1 {2.39140755622 -4.60372650039 3.8223875106} hc 0.052999999999999999 H332 1 0
1 {3.40970118364 -4.04110661207 1.51262869394} hc 0.052999999999999999 H333 1 0
1 {10.8479903153 -4.47609535787 0.958531383848} hc 0.052999999999999999 H371 1 0
1 {0.0290990502262 -5.36730394255 3.47905482694} hc 0.052999999999999999 H372 1 0
1 {2.69762615336 -5.56772383908 0.934577243027} hc 0.052999999999999999 H373 1 0
1 {-1.10989863221 16.5293451408 -1.95553055638} hc 0.052999999999999999 H337 1 0
1 {-4.48273990598 15.6988849812 -1.95616625702} hc 0.052999999999999999 H340 1 0
1 {-4.9630990612 16.3558019254 -3.5367840412} hc 0.052999999999999999 H374 1 0
6 {9.10290194577 1.04953914956 1.55467787073} c1oe 0.10700000000000001 C251 1 0
1 {8.57500552994 1.62648589475 2.31368770112} hc 0.052999999999999999 H368 1 0
6 {10.8178041705 -3.05907317815 2.58630176939} c2 -0.106 C266 1 0
1 {11.2388154165 -2.97481887494 3.58719072613} hc 0.052999999999999999 H355 1 0
1 {10.8770143014 -5.21385875187 2.57507813635} hc 0.052999999999999999 H360 1 0
1 {13.0813448915 -3.25495897488 0.111255502485} hc 0.052999999999999999 H356 1 0
6 {10.5169769644 1.63695770575 1.30290308358} c2 -0.106 C268 1 0
6 {8.76953713077 -1.37577878852 0.982693857768} c3 -0.159 C263 1 0
1 {10.8176255706 2.2811853805 2.12801042178} hc 0.052999999999999999 H322 1 0
1 {10.5379047726 2.18553017496 0.360705844755} hc 0.052999999999999999 H323 1 0
1 {8.75685774253 -0.879616898805 0.0117160286128} hc 0.052999999999999999 H341 1 0
1 {8.8472198119 -0.572557484401 3.00163885985} hc 0.052999999999999999 H351 1 0
1 {7.75617264621 -1.66399548955 1.2557487534} hc 0.052999999999999999 H321 1 0
1 {9.40022196606 -2.26090602133 0.929483550563} hc 0.052999999999999999 H345 1 0
1 {11.4674228064 0.653471363555 -0.92242969822} hc 0.052999999999999999 H346 1 0
1 {-0.16987201611 -8.3153156223 2.7352325987} hc 0.052999999999999999 H348 1 0
1 {10.5888260212 -21.9592088803 4.21500263551} hc 0.052999999999999999 H311 1 0
1 {-7.80106611845 11.8744883273 1.36562134253} hc 0.052999999999999999 H369 1 0
6 {11.484089245 -17.6816109767 3.74461628197} cp -0.1268 C267 1 0
6 {9.32220868186 -19.2992701046 4.56010739747} cp -0.1268 C269 1 0
6 {9.11803082256 -17.9185305131 4.322117708} cp -0.1268 C270 1 0
6 {10.2107067546 -17.1124518273 3.88396440704} cp -0.1268 C275 1 0
1 {8.13730681805 -17.4713070677 4.48809056625} hc 0.1268 H307 1 0
6 {8.04201731605 -5.18356985057 2.32086141075} c2 -0.106 C272 1 0
6 {6.52746448856 -4.98052291608 2.44923139405} c2 -0.106 C273 1 0
1 {8.48555601887 -5.30858023705 3.30870300114} hc 0.052999999999999999 H370 1 0
1 {6.2619911463 -3.97073888179 2.13559164636} hc 0.052999999999999999 H376 1 0
1 {6.22571898401 -5.1374726647 3.48447427591} hc 0.052999999999999999 H377 1 0
1 {-16.9426912193 9.89115924378 -3.95651741796} hc 0.052999999999999999 H366 1 0
1 {-14.703214515 10.737854495 -3.80627002532} hc 0.052999999999999999 H378 1 0
1 {-17.7645960631 8.89865134557 -6.15675421547} hc 0.052999999999999999 H379 1 0
1 {-17.2410726963 7.53283268882 -4.17663189192} hc 0.052999999999999999 H380 1 0
6 {-6.98498321743 6.63598401861 -2.10168960599} c2 -0.106 C274 1 0
1 {-6.30759746831 7.03722484503 -2.85720753967} hc 0.052999999999999999 H295 1 0
1 {-6.73878837042 7.02805294062 -1.11434473975} hc 0.052999999999999999 H381 1 0
6 {7.51225994732 11.8710698662 2.91497140168} cp 0.0 C276 1 0
1 {6.30993501407 15.4911738296 -0.272279513708} hc 0.0 H384 1 0
1 {7.48530015838 10.9670862548 3.52382159482} hc 0.0 H385 1 0
1 {-4.36547549328 -4.50775803869 -0.287432073835} hc 0.0 H386 1 0
1 {-6.38322501479 -3.75790350443 1.1684164501} hc 0.0 H387 1 0
1 {-6.23013474724 -2.71987750205 -0.286050033902} hc 0.0 H388 1 0
1 {4.53684612909 -17.1654870166 3.02775661753} hc 0.0 H389 1 0
1 {6.44474657603 -18.4048415383 2.16867244107} hc 0.0 H390 1 0
1 {4.33223643261 -19.6028583538 2.9755511709} hc 0.0 H391 1 0
1 {2.98548992929 -20.7628497832 1.28698550468} hc 0.0 H392 1 0
6 {12.5993669339 4.22924655125 1.02554094421} c2 0.0 C277 1 0
1 {12.2066218532 3.88656628162 0.0689125892009} hc 0.0 H328 1 0
1 {11.7841969473 4.60800577291 1.64453326934} hc 0.0 H393 1 0
1 {0.370733635887 -5.66319981838 0.263652356087} hc 0.0 H394 1 0
1 {-3.01234368067 -11.5239249919 -0.410261980237} hc 0.0 H395 1 0
1 {0.971204609059 -8.4820204182 6.11272761229} hc 0.0 H396 1 0
1 {4.08858750809 -5.66322903765 5.5721776344} {} 0.0 H397 1 0
6 {2.88695747911 -14.9183849108 1.39829193974} {} 0.0 C278 1 0
16 {1.62121063902 -13.7713464488 0.971954645068} {} 0.0 S4 1 0
6 {0.531304005272 -15.0587276036 0.458414293685} {} 0.0 C279 1 0
1 {6.18821344489 1.99091203209 -1.45325122035} {} 0.0 H318 1 0
1 {4.58129747093 2.6373789506 0.434001178726} {} 0.0 H334 1 0
1 {-0.483536697876 -14.9049385999 0.0943842730733} {} 0.0 H398 1 0
1 {3.84270070594 -14.6514985249 1.85167006313} {} 0.0 H399 1 0
6 {8.65381481768 -3.95182801576 1.61973416578} {} 0.0 C280 1 0
6 {9.27563369983 -3.00669585168 2.67467937099} {} 0.0 C281 1 0
1 {7.86975334219 -3.42076395519 1.07982872768} {} 0.0 H352 1 0
1 {9.41669953969 -4.27332507376 0.921048380743} {} 0.0 H375 1 0
1 {8.93590694065 -1.99450826438 2.49878261638} {} 0.0 H383 1 0
1 {8.96203540004 -3.32341206519 3.67078481529} {} 0.0 H400 1 0
1 {10.796095036 -21.4464682169 5.93018151867} {} 0.0 H364 1 0
6 {10.0024004404 -15.6259319655 3.54353505842} {} 0.0 C271 1 0
6 {8.81049894875 -15.4875282129 2.5878914966} {} 0.0 C282 1 0
1 {10.899620621 -15.2375471778 3.06031877377} {} 0.0 H365 1 0
1 {9.80853179511 -15.0622963711 4.45619122494} {} 0.0 H382 1 0
1 {8.06999151665 -16.2510790807 2.82063064921} {} 0.0 H402 1 0
1 {9.15279214295 -15.6144248529 1.56130759339} {} 0.0 H403 1 0
1 {13.7053450113 -19.2627559457 4.84748606114} {} 0.0 H404 1 0
6 {9.88870311173 -14.2758606299 0.169095445631} {} 0.0 C284 1 0
1 {10.3375655877 -16.3998248302 -0.0617835563504} {} 0.0 H401 1 0
8 {2.12743135321 16.0206984193 -2.71319332616} {} 0.0 O24 1 0
1 {1.40543080761 16.7094079041 -2.39365874005} {} 0.0 H405 1 0
8 {-7.70720835475 -7.46580224471 2.34098985938} {} 0.0 O32 1 0
1 {-6.91584031771 -8.94963116987 -1.07352610675} {} 0.0 H406 1 0
1 {-4.53902112664 -8.85148796012 1.29300341065} {} 0.0 H407 1 0
1 {-5.66409521085 14.7586579404 -0.615816389692} {} 0.0 H408 1 0
1 {-7.56686389404 12.8792640388 -0.0829317439862} {} 0.0 H409 1 0
1 {-3.49815844018 13.6735060245 -1.68416004297} {} 0.0 H410 1 0
1 {-2.34201681601 13.8409852268 -2.56061660792} {} 0.0 H411 1 0
1 {9.05029004545 -14.267051921 -0.530141982985} {} 0.0 H303 1 0
1 {8.36505158399 -14.5008209615 2.70331224412} {} 0.0 H304 1 0
@end
@Columns Bond
	Atom1	reference	Atom
	Atom2	reference	Atom
	Key	int	0
	Order	int	0
@end
@data
3 0 0 0
15 0 0 0
2 1 0 0
3 2 0 0
4 2 0 0
7 3 0 0
5 4 0 0
6 5 0 0
10 5 0 0
7 6 0 0
19 6 0 0
9 8 0 0
10 9 0 0
11 9 0 0
14 10 0 0
12 11 0 0
17 11 0 0
13 12 0 0
14 13 0 0
18 14 0 0
20 21 0 0
12 23 0 0
23 24 0 0
24 25 0 0
25 26 0 0
26 27 0 0
28 29 0 1
32 29 0 1
27 28 0 1
38 28 0 0
30 27 0 1
31 30 0 1
39 30 0 0
32 31 0 1
33 31 0 1
34 33 0 1
35 33 0 1
36 35 0 1
40 35 0 0
37 36 0 1
32 41 0 0
34 41 0 0
22 43 0 0
43 44 0 0
7 45 0 0
45 46 0 0
46 47 0 0
47 48 0 0
48 49 0 0
48 50 0 0
50 51 0 0
51 52 0 0
52 53 0 0
54 55 0 0
56 57 0 0
59 57 0 0
60 57 0 0
55 56 0 1
61 56 0 0
58 55 0 1
59 58 0 1
58 62 0 1
62 63 0 1
63 64 0 1
59 65 0 1
64 65 0 1
21 66 0 0
21 67 0 0
24 69 0 0
24 70 0 0
25 71 0 0
25 72 0 0
26 73 0 0
42 74 0 0
43 75 0 0
43 76 0 0
46 77 0 0
47 78 0 0
47 79 0 0
48 80 0 0
49 81 0 0
49 82 0 0
50 83 0 2
51 84 0 0
51 85 0 0
52 86 0 0
53 87 0 0
53 88 0 0
54 89 0 0
54 90 0 0
62 91 0 0
64 92 0 0
65 93 0 0
44 94 0 0
94 95 0 0
95 96 0 0
96 97 0 0
97 98 0 0
96 99 0 0
99 100 0 0
100 101 0 0
101 102 0 0
103 116 0 0
104 116 0 0
105 116 0 0
102 116 0 0
106 105 0 0
107 105 0 0
108 105 0 0
109 108 0 0
110 108 0 0
111 110 0 0
112 110 0 0
113 110 0 0
114 113 0 0
115 113 0 0
102 113 0 0
117 102 0 0
108 118 0 0
118 119 0 0
119 120 0 0
98 121 0 0
122 133 0 1
126 133 0 1
137 133 0 0
123 122 0 1
124 123 0 1
125 124 0 1
127 124 0 1
126 125 0 1
130 125 0 1
121 126 0 1
128 127 0 1
129 128 0 1
139 128 0 0
130 129 0 1
134 129 0 1
131 130 0 1
132 131 0 1
136 131 0 1
121 132 0 1
141 132 0 0
135 134 0 1
136 135 0 1
140 136 0 0
135 142 0 0
142 143 0 0
144 145 0 0
145 146 0 0
147 148 0 0
148 149 0 2
148 150 0 0
94 151 0 0
94 152 0 0
95 153 0 0
95 154 0 0
96 155 0 0
97 156 0 0
97 157 0 0
98 158 0 0
98 159 0 0
99 160 0 0
99 161 0 0
100 162 0 0
100 163 0 0
101 164 0 0
119 165 0 0
119 166 0 0
120 167 0 0
142 168 0 0
142 169 0 0
143 170 0 0
144 171 0 0
145 172 0 0
145 173 0 0
147 174 0 0
147 175 0 0
150 176 0 0
53 177 0 0
177 178 0 0
36 179 0 0
179 180 0 0
183 184 0 0
184 185 0 0
182 187 0 0
189 190 0 0
193 190 0 0
202 190 0 0
188 189 0 0
203 189 0 0
191 188 0 0
192 191 0 0
204 191 0 0
193 192 0 1
194 192 0 1
197 193 0 1
195 194 0 1
198 194 0 1
196 195 0 1
201 195 0 1
197 196 0 1
199 198 0 1
205 198 0 0
200 199 0 1
206 199 0 0
201 200 0 1
207 201 0 0
200 208 0 0
208 209 0 0
209 210 0 0
210 211 0 0
211 212 0 0
212 213 0 0
214 215 0 0
215 213 0 0
215 216 0 0
41 217 0 0
179 218 0 0
179 219 0 0
180 220 0 0
180 221 0 0
183 222 0 0
183 223 0 0
184 224 0 0
184 225 0 0
185 226 0 2
186 227 0 0
186 228 0 0
209 229 0 0
210 230 0 0
210 231 0 0
211 232 0 0
211 233 0 0
212 234 0 0
212 235 0 0
214 236 0 0
236 237 0 0
239 240 0 0
245 240 0 0
241 238 0 0
242 238 0 0
243 242 0 0
244 242 0 0
248 242 0 0
246 245 0 0
247 245 0 0
248 245 0 0
240 249 0 0
249 250 0 0
251 252 0 0
253 257 0 0
256 257 0 0
261 257 0 0
254 253 0 1
262 253 0 0
255 254 0 1
263 254 0 0
256 255 0 1
252 255 0 0
260 256 0 1
258 252 0 1
259 258 0 1
264 258 0 0
260 259 0 1
265 260 0 0
259 266 0 0
266 267 0 0
267 268 0 0
268 269 0 0
269 270 0 0
270 271 0 0
271 272 0 0
272 273 0 0
274 275 0 1
278 275 0 1
273 274 0 1
276 273 0 1
277 276 0 1
278 277 0 1
279 277 0 1
282 278 0 1
280 279 0 1
283 279 0 1
281 280 0 1
286 280 0 1
282 281 0 1
295 281 0 0
296 282 0 0
284 283 0 1
285 284 0 1
291 284 0 0
286 285 0 1
287 285 0 0
290 286 0 0
288 287 0 0
289 288 0 0
292 288 0 0
290 289 0 0
293 289 0 0
294 290 0 0
275 297 0 0
297 298 0 0
298 299 0 0
299 300 0 0
300 301 0 0
301 302 0 0
302 303 0 0
303 304 0 0
237 305 0 0
237 306 0 0
249 307 0 0
249 308 0 0
250 309 0 0
251 311 0 0
251 312 0 0
266 313 0 0
266 314 0 0
267 315 0 0
267 316 0 0
268 317 0 0
268 318 0 0
270 319 0 0
270 320 0 0
271 321 0 0
271 322 0 0
297 323 0 0
297 324 0 0
298 325 0 0
298 326 0 0
299 327 0 0
301 328 0 0
301 329 0 0
302 330 0 2
303 331 0 0
304 332 0 0
120 333 0 0
334 341 0 1
339 341 0 1
335 334 0 1
336 335 0 1
337 336 0 0
338 336 0 1
339 338 0 1
343 338 0 1
340 339 0 1
333 340 0 1
342 333 0 1
343 342 0 1
341 344 0 1
344 345 0 1
345 346 0 1
346 347 0 1
349 347 0 0
348 346 0 0
352 348 0 0
352 349 0 0
352 350 0 0
352 351 0 0
334 347 0 1
344 353 0 0
354 355 0 0
355 356 0 0
356 357 0 0
358 359 0 0
359 360 0 0
360 361 0 0
361 362 0 0
361 363 0 0
363 364 0 0
363 365 0 2
354 366 0 0
354 367 0 0
355 368 0 0
356 369 0 0
357 370 0 0
357 371 0 0
358 372 0 0
358 373 0 0
359 374 0 0
359 375 0 0
360 376 0 0
361 377 0 0
362 378 0 0
364 379 0 0
380 381 0 0
381 382 0 2
381 383 0 0
384 385 0 0
386 389 0 0
386 385 0 0
385 387 0 0
385 390 0 0
387 388 0 0
388 389 0 0
388 391 0 0
389 393 0 0
389 392 0 0
380 395 0 0
380 396 0 0
383 397 0 0
383 398 0 0
384 399 0 0
272 400 0 0
400 401 0 0
401 402 0 0
402 403 0 0
404 408 0 0
407 408 0 0
412 408 0 0
405 404 0 1
406 405 0 1
413 405 0 0
407 406 0 1
403 406 0 1
411 407 0 1
409 403 0 1
410 409 0 1
411 410 0 1
414 410 0 0
415 416 0 0
26 417 0 0
400 418 0 0
401 419 0 0
401 420 0 0
402 421 0 0
402 422 0 0
416 423 0 0
416 424 0 0
417 425 0 0
101 426 0 0
411 426 0 0
348 427 0 0
123 428 0 1
428 430 0 1
429 431 0 0
429 432 0 0
138 430 0 1
138 433 0 0
429 430 0 0
428 434 0 0
429 435 0 0
435 436 0 0
435 437 0 2
436 438 0 0
436 439 0 0
299 440 0 0
214 442 0 0
214 443 0 0
215 444 0 0
213 445 0 0
348 446 0 0
446 447 0 0
394 448 0 0
386 394 0 0
276 449 0 1
283 450 0 1
449 450 0 1
449 451 0 0
146 452 0 0
143 453 0 0
452 453 0 0
452 454 0 0
453 455 0 0
357 456 0 0
384 456 0 0
456 457 0 0
209 458 0 0
63 436 0 0
304 459 0 0
345 460 0 0
404 460 0 0
460 461 0 0
460 462 0 0
0 463 0 0
7 464 0 0
2 465 0 0
6 466 0 0
5 467 0 0
14 468 0 0
12 469 0 0
9 470 0 0
11 471 0 0
13 472 0 0
13 473 0 0
416 475 0 0
409 415 0 0
187 476 0 0
476 477 0 0
476 478 0 2
477 479 0 0
181 477 0 0
120 480 0 0
394 481 0 0
481 482 0 0
482 483 0 0
481 484 0 0
482 485 0 0
483 486 0 0
8 487 0 0
394 488 0 0
483 489 0 0
453 490 0 0
147 452 0 0
146 491 0 0
146 492 0 0
20 493 0 0
1 493 0 0
493 494 0 0
4 495 0 0
8 495 0 0
4 16 0 0
495 496 0 0
8 497 0 0
10 498 0 0
456 481 0 0
355 482 0 0
3 499 0 0
1 500 0 0
499 501 0 0
499 502 0 0
500 503 0 0
1 504 0 0
500 505 0 0
500 506 0 0
493 499 0 0
0 507 0 0
386 508 0 0
187 509 0 0
300 510 0 0
181 182 0 1
181 511 0 1
182 512 0 1
512 513 0 1
513 514 0 1
511 514 0 1
513 515 0 0
360 516 0 0
362 517 0 0
516 517 0 0
516 518 0 0
517 519 0 0
517 520 0 0
289 521 0 0
290 522 0 0
288 523 0 0
287 524 0 0
400 525 0 0
274 525 0 0
525 526 0 0
525 527 0 0
186 188 0 0
122 528 0 1
138 528 0 1
127 529 0 0
528 530 0 0
340 353 0 0
335 531 0 0
349 532 0 0
349 533 0 0
190 534 0 0
189 535 0 0
188 536 0 0
191 537 0 0
213 441 0 0
49 538 0 0
46 538 0 0
538 539 0 0
538 540 0 0
29 358 0 0
343 541 0 0
236 542 0 0
354 362 0 0
383 388 0 0
384 543 0 0
236 380 0 0
356 544 0 0
342 483 0 0
197 545 0 1
545 546 0 0
196 547 0 1
546 547 0 0
42 548 0 0
22 549 0 0
547 550 0 0
545 551 0 0
21 42 0 0
22 68 0 0
22 42 0 0
52 54 0 0
516 552 0 0
552 553 0 0
495 553 0 0
552 554 0 0
552 555 0 0
553 556 0 0
553 557 0 0
187 558 0 0
183 512 0 0
514 559 0 0
559 560 0 0
559 561 0 0
559 562 0 0
560 563 0 0
560 564 0 0
180 511 0 0
477 565 0 0
185 186 0 0
250 251 0 0
250 310 0 0
37 566 0 1
37 567 0 0
34 566 0 1
287 474 0 0
134 568 0 0
568 569 0 0
248 570 0 2
237 238 0 0
240 571 0 0
238 572 0 0
304 573 0 0
300 574 0 0
144 303 0 0
144 575 0 0
143 576 0 0
566 577 0 0
560 578 0 0
@end
@Columns HalfBond
	AtomEnd	reference	Atom
	Key	int	0
	StubEnd	double	{{0.0 0.0 0.0}}
@end
@data
@end
@Columns Subset
	Criteria	string	{{}}
	Dynamic	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
@end
@data
@end
