71374512 -OEChem-03282413533D 26 26 0 1 0 0 0 0 0999 V2000 3.9260 0.1813 0.6506 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8764 -0.6100 0.0843 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0245 -0.7287 -1.8442 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 1.8744 0.2632 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 -0.4156 0.5363 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1571 0.3500 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5704 0.6853 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6772 -1.3935 -0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3292 -0.7643 0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7123 1.1417 -0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5538 -0.2951 0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 -1.0869 0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0677 0.8192 -0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7088 0.2421 -0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4556 -0.9369 1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4432 -2.1553 -0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 -1.8927 -0.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3151 -1.3956 1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3504 2.0107 -1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -1.9544 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6867 1.4759 -1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1396 0.5925 -0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0432 -1.4032 -2.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7271 -0.1556 -0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4206 0.2235 -1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7386 1.2596 -0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 22 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 8 1 0 0 0 0 3 23 1 0 0 0 0 4 7 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 10 13 2 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > 71374512 > 0.6 > 1 40 5 36 31 24 30 12 45 27 8 47 2 39 29 26 32 14 22 38 42 25 44 18 33 9 28 6 10 41 11 46 21 43 20 7 23 37 35 4 16 13 17 34 19 3 15 > 20 1 -0.68 10 -0.15 11 0.08 12 -0.15 13 -0.15 14 0.28 18 0.15 19 0.15 2 -0.36 20 0.15 21 0.15 22 0.4 23 0.4 3 -0.68 4 -0.57 5 0.34 6 0.09 7 0.42 8 0.28 9 -0.15 > 4 > 7 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 6 6 9 10 11 12 13 rings > 14 > 0 > 1 > 0 > 0 > 0 > 1 > 5 > 044116B000000001 > 40.8456 > 35.539 > 12032990 46 18187086182865415131 12251169 10 12391503157844506918 13296908 3 17988363659285116260 14115302 16 17313106349919053762 14251717 144 18059855068953670838 14252887 29 18131072632118777258 14350558 41 17132116835786677110 14911166 2 18113614582292830531 14993402 34 16587748620327068863 15219456 202 18263643025196170704 15375358 24 18410006663142862322 16945 1 18261118451998772123 18186145 218 18334010588748379969 18522853 295 18040716960996787651 19026448 5 17275107254075330113 200 152 17846212263242741779 20201158 50 18410855460386852226 20279233 1 18410294709440875162 20523700 14 17676494955514950058 20645476 183 16298677160672051779 20645477 70 18201718461758663751 20871999 31 18190192208392364092 22485316 2 17060330834359029023 23048698 100 16057161709353370018 23402539 116 18261376871570010103 23402655 69 18410283697397890349 23557571 272 18041275474829552892 23559900 14 18186519917392309610 2748010 2 17970636409398991867 474 4 15983674836515346578 4990 188 18409443687810144183 57812782 119 18412541015996429579 581208 293 18131911580912859214 69090 78 18340758325783254263 7364860 26 18265898140978302988 81228 2 18264216811510803152 > 264.64 7.11 1.35 1.08 3.15 0.2 0.38 -0.61 1.57 -0.28 -0.09 -0.74 -0.19 0.75 > 544.902 > 152.5 > 2 5 10 $$$$