67471 -OEChem-10091908243D 48 54 0 0 0 0 0 0 0999 V2000 1.3432 0.4436 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3433 -0.4438 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0613 -0.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0613 0.9304 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 -0.0318 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 0.0318 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 -1.4124 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 1.4123 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 1.3602 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 -1.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6858 0.8694 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6858 -0.8695 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1271 -1.8411 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 1.8409 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1637 0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1638 -0.3733 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 -0.6205 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1769 0.6206 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4912 -2.3620 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4912 2.3620 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8264 -1.9723 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8263 1.9724 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5985 1.7228 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5986 -1.7227 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5351 -0.2589 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5351 0.2590 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9527 2.0692 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9526 -2.0690 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9212 1.0777 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9213 -1.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4934 2.4288 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4934 -2.4289 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8682 1.9428 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8683 -1.9428 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9087 -2.9097 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9086 2.9095 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2628 -3.4263 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2627 3.4263 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5924 -2.7456 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5922 2.7457 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8856 2.5433 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8857 -2.5432 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3109 -1.0226 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3109 1.0227 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2441 3.1155 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2441 -3.1153 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9744 1.3415 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9745 -1.3415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 4 1 0 0 0 0 2 10 2 0 0 0 0 2 12 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 9 2 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 6 16 1 0 0 0 0 7 13 2 0 0 0 0 7 19 1 0 0 0 0 8 14 2 0 0 0 0 8 20 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 15 23 2 0 0 0 0 16 18 1 0 0 0 0 16 24 2 0 0 0 0 17 21 1 0 0 0 0 17 25 2 0 0 0 0 18 22 1 0 0 0 0 18 26 2 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 27 1 0 0 0 0 23 41 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 29 1 0 0 0 0 25 43 1 0 0 0 0 26 30 1 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M END > 67471 > 0.6 > 1 > 36 10 -0.15 11 -0.15 12 -0.15 13 -0.15 14 -0.15 19 -0.15 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 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 9 -0.15 > 0 > 7 6 1 2 3 4 9 10 rings 6 1 3 5 7 11 13 rings 6 15 17 23 25 27 29 rings 6 16 18 24 26 28 30 rings 6 2 4 6 8 12 14 rings 6 5 7 15 17 19 21 rings 6 6 8 16 18 20 22 rings > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0001078F00000001 > 112.749 > 35.671 > 10 15 18186519921618945536 10050765 1 18194402178000531266 10299344 5 18272371979284124731 10391435 84 18260824947388676515 10462674 296 17408234124602402367 10595046 47 18410855425773704898 10835480 77 18336823087805385429 10939801 23 18412543249364151598 11007060 377 18334021583748509995 11315181 36 18343585132288302625 11524674 6 16415477169243194943 11578080 2 13972865805444686841 11719270 70 18201717328014352862 11724838 91 18260829311112066956 12166972 35 18407762538325673173 12236239 1 18410575063188242452 12516196 113 18342738511522314192 13811026 1 18334859432630102090 14251764 18 18410855468718096415 14394314 77 18410296865958212601 14461889 52 18408601487667979266 1454969 45 18412543227751924767 14849402 71 18341334486766532217 14856354 85 16128653072863701453 14933364 13 18412545400936505688 15131766 46 15287635645009062614 15183329 4 18410293588211532120 15196674 1 18410575050303340545 15347591 1 18191864530928140289 15419008 145 18116420468033922368 15728490 51 18412543240610355519 1577012 14 18409448050953591465 15840311 113 18113903797766304764 15849732 13 18409729581701443997 15890870 6 18337957922230965388 15927050 60 17624690550238969076 16087824 20 18337390428349799149 16989713 51 17417237879756719199 18335252 98 18411703201026578779 18608769 82 18412543245200624259 18681886 176 18410849988545860729 19315958 150 18057051216773907105 19611394 137 18043261326009966363 21049683 271 18341895229080493641 21130935 74 18341613663961879386 21236236 1 18411419488983485771 21267235 1 18412267224621512807 21315763 28 18410011010003200058 21792961 116 17632301146962777786 22149856 69 18059584541880071282 22224240 67 17822008722602811802 23516275 137 17844832337591493671 23522609 53 18195840455686489225 23559900 14 18339354267110566345 23569917 315 18342182120918449110 23569943 247 17534336735123464962 24771293 8 18259708895705025076 24771750 20 18124881411319753092 255183 451 17842567241576814806 3004659 81 18259703389081573817 335352 9 18410855494487900549 335507 130 18343301491698703998 3383291 50 17676779764088195931 34797466 226 17775573044138006844 350125 39 18412824694180866137 4073 2 18186525431429295722 4098825 35 18410291402089152097 4258327 124 17313966232726296966 4325135 7 18410856572524691725 44317340 157 17417805193280504000 4461854 278 18129954493714776455 44802255 64 14045462186625664369 45377200 153 16486693696477411527 4625314 4 18410573942207066191 5104073 3 18338517439085544256 5109719 28 18270401732400887600 5265222 85 18060134387920245462 9831232 110 18055639421884483390 99344 41 18408885105226429158 9996256 80 18411418393260565963 > 617.39 24.56 2.45 0.62 0 0 0 0 0 0 0 0 0 0 > 1453.181 > 276.7 > 2 5 10 $$$$