626950 -OEChem-10111918493D 32 34 0 0 0 0 0 0 0999 V2000 2.2854 -2.8418 0.0002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 2.5729 0.0002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9663 -0.0532 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8215 0.0520 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4122 -0.1073 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2674 0.1073 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2688 -0.0271 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2697 -0.0267 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 0.0256 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 0.0258 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1065 -1.3195 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1208 1.0965 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9181 1.3413 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0107 -1.0730 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5157 1.0882 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5014 -1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3119 1.3949 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4046 -1.0192 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2059 -0.1237 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0551 0.2146 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7964 -0.0474 -2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7978 -0.0467 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6531 0.0454 -2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6519 0.0458 2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5874 2.0457 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 2.2710 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5197 -2.0433 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0552 -2.2632 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8185 2.3555 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9837 -1.9381 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2927 -0.1453 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1403 0.2563 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 15 1 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 13 2 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 8 10 2 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 14 18 2 0 0 0 0 14 27 1 0 0 0 0 15 19 1 0 0 0 0 16 19 2 0 0 0 0 16 28 1 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 M END > 626950 > 0.6 > 1 3 4 2 > 28 1 -0.18 10 -0.15 11 0.18 12 -0.15 13 -0.15 14 -0.15 15 0.18 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.18 20 -0.15 21 0.15 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 30 0.15 31 0.15 32 0.15 7 -0.15 8 -0.15 9 -0.15 > 2 > 3 6 3 4 7 8 9 10 rings 6 5 11 12 15 16 19 rings 6 6 13 14 17 18 20 rings > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0009910600000001 > 66.0644 > 15.223 > 10411042 1 17978792304004501422 10595046 47 18412825789687449609 10835480 77 18408879625450072533 10906281 52 17386587832947583740 11287383 113 18409449193398944523 12107183 9 17548138831555862675 12236239 1 17917992772113976278 12616971 3 18130776863738773718 12730499 353 18335427876305728426 12788726 201 17203616947332812611 13167823 11 18413106139340901015 13533116 47 18272089362226337338 13583140 156 18271809072670825187 13760787 19 18202560691934166111 13862211 1 15285355141543366865 13955234 65 18335979775545973058 14251732 16 18337391646964378899 14341114 176 18410860958098010661 14461889 52 18263080084096474106 14528608 73 18411703209774541644 14863182 85 14996279181036638210 15048467 5 18412262852402931629 15250474 111 18270664433732960967 15342168 16 18190463947195471716 15788980 27 17917989464862577503 15848702 151 18259985946680174047 17349148 13 14345797127965103519 17834072 33 18412262835159544591 17844677 252 18411426072519932765 17980427 23 16879354630768490990 1813 80 16805611330501529735 19427546 62 18335985389125854330 200 152 18343582927841178763 20157964 124 18410575076115556781 20645477 70 18342178813196889062 21267235 1 18272939285004531182 21641784 216 16916803876024541072 220451 1 17847063302839494343 23402539 116 18408601457613529845 23536379 177 18410855438969856113 23557571 272 16950562125834144230 23559900 14 18410290328363080921 23569943 247 17170105933305518739 239999 70 18272375231171071366 2916195 48 18040994059592130209 29717793 49 17560527222613933780 300161 21 18333725815168025847 3004659 81 18342740676713371458 314173 85 16660363671303147285 34797466 226 18131079250457743245 3545911 37 18409450280041617981 4073 2 18113905999739426659 4214541 1 18410573951372110881 42630746 31 18411981352136413214 4340502 62 18411419522673791818 474 4 18338518651015823056 5104073 3 18333733494353287073 542803 24 17704356558962004201 621550 34 18113892745971075774 7495541 125 17917708045767914633 77779 3 18410855434706543619 8272917 22 18341334396977816126 9971528 1 17821451248526828412 9981440 41 16960151272026281885 > 415.33 14.17 2.01 0.91 7.03 0.3 0 -3.84 0 -2.6 0 0.12 0 0 > 900.201 > 218 > 2 5 10 $$$$