74060 -OEChem-05072417053D 50 53 0 0 0 0 0 0 0999 V2000 1.8335 -0.3101 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9284 0.1607 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 0.6376 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 -1.7823 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1668 -0.6019 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8975 1.6648 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5995 0.2436 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6902 -0.4243 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4924 1.0467 -1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -2.4278 1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7503 -0.9585 -1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8945 2.3031 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 1.0751 1.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -2.4563 -1.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7711 -0.9768 1.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8739 2.3214 -1.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 1.9351 -1.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3151 -3.8096 1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9381 -1.6897 -1.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8661 3.6976 1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5673 1.9636 1.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3155 -3.8381 -1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9589 -1.7080 1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8454 3.7159 -1.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 2.3935 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4101 -4.5147 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5422 -2.0645 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8415 4.4039 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5702 1.3316 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6605 -1.5128 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0812 0.6971 -2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0515 -1.8893 2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -0.6754 -2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9127 1.7609 2.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0808 0.7477 2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0525 -1.9400 -2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3291 -0.7081 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8763 1.7936 -2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9863 2.2702 -2.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 -4.3366 2.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3923 -1.9676 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8626 4.2334 2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9857 2.3209 2.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3891 -4.3874 -2.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4295 -2.0002 2.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8259 4.2660 -2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 3.0854 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 -5.5906 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4669 -2.6340 -0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8192 5.4898 0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 7 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 3 13 1 0 0 0 0 4 10 2 0 0 0 0 4 14 1 0 0 0 0 5 11 2 0 0 0 0 5 15 1 0 0 0 0 6 12 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 9 17 1 0 0 0 0 9 31 1 0 0 0 0 10 18 1 0 0 0 0 10 32 1 0 0 0 0 11 19 1 0 0 0 0 11 33 1 0 0 0 0 12 20 1 0 0 0 0 12 34 1 0 0 0 0 13 21 2 0 0 0 0 13 35 1 0 0 0 0 14 22 2 0 0 0 0 14 36 1 0 0 0 0 15 23 2 0 0 0 0 15 37 1 0 0 0 0 16 24 2 0 0 0 0 16 38 1 0 0 0 0 17 25 2 0 0 0 0 17 39 1 0 0 0 0 18 26 2 0 0 0 0 18 40 1 0 0 0 0 19 27 2 0 0 0 0 19 41 1 0 0 0 0 20 28 2 0 0 0 0 20 42 1 0 0 0 0 21 25 1 0 0 0 0 21 43 1 0 0 0 0 22 26 1 0 0 0 0 22 44 1 0 0 0 0 23 27 1 0 0 0 0 23 45 1 0 0 0 0 24 28 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > 74060 > 0.8 > 1 2 > 50 1 -0.06 10 -0.15 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.06 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 3 0.03 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 4 0.03 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 49 0.15 5 0.03 50 0.15 6 0.03 7 -0.15 8 -0.15 9 -0.15 > 5 > 4 6 3 9 13 17 21 25 rings 6 4 10 14 18 22 26 rings 6 5 11 15 19 23 27 rings 6 6 12 16 20 24 28 rings > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0001214C00000001 > 107.8509 > 20.3 > 10074138 170 17691378121656320234 10090160 65 18263641925689798182 102385 1 18266458698354917396 10670039 82 18335713762610023956 10675989 125 18189601758301780103 10906281 52 18041856119831806153 10940486 97 17907863903516765942 1100329 8 17834395996346679653 11377469 6 17272272816521290823 11421498 54 18412548746869029907 12553582 1 18341609386574904727 12788726 201 18261664948265181897 13004483 165 18341045221551991919 13140716 1 18050849123844918769 13690498 29 18124898771018096103 13911987 19 18044666531381192389 140371 6 18187939433805802953 14068700 686 18409727382852859068 14223421 5 18410575046024204012 14840074 17 18200878508121329391 16728300 4 17826193429957169832 17492 89 18338794490563255819 1813 80 18199481033311979725 20286276 3 18267027141550372247 20567600 347 18409451427415460746 20775438 99 17830975145538467245 21033650 10 14491027143501560375 21703447 108 18337664218194836523 23558518 356 18191304879799889379 23559900 14 18195796371671950075 23569914 2 15409182020487899769 25019877 29 17915466197736651612 283562 15 18411985801195414064 340366 18 17762622789357717524 350125 39 18339931411439796534 3737641 26 18271257066093769675 469060 322 18336558204087087353 5486654 2 18193842767432516828 5912855 24 18341620270159390929 6004065 56 18122058969460826475 7164475 11 18337948979063614853 7399639 24 18413384354299959176 9709674 26 18195518191130145943 > 576.23 10.53 6.11 1.45 3.19 0.41 0 1.4 -0.17 -1.76 0.1 -0.01 -0.01 -0.15 > 1272.65 > 288.7 > 2 5 10 $$$$