67229443 -OEChem-03292401403D 33 35 0 0 0 0 0 0 0999 V2000 1.3003 2.3660 0.3182 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9546 1.8150 0.0962 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0763 -0.8647 -0.0182 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9079 0.7631 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4395 -0.5548 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8037 0.0832 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4092 1.5405 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2921 0.9989 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 -1.6154 -0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7263 -1.3727 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2377 -0.2849 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1944 -0.0646 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 3.1991 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6872 -2.5106 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0512 0.2065 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7748 -1.1219 0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4019 -0.1391 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1254 -1.4675 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9391 -0.9762 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7009 2.0048 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9862 -2.6390 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2608 0.1446 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0167 3.3423 1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 3.4350 -0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 3.8919 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8731 -2.7870 -1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2978 -3.3854 0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6424 -2.2504 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6447 0.8551 -1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1527 -1.5091 1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 0.2425 -1.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5439 -2.1187 1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9907 -1.2455 -0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 8 12 2 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 M END > 67229443 > 0.6 > 1 2 > 27 1 -0.57 10 -0.14 11 0.09 12 -0.15 13 0.3 14 0.14 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.48 20 0.15 21 0.15 22 0.15 29 0.15 3 -0.63 30 0.15 31 0.15 32 0.15 33 0.15 4 0.12 5 0.18 6 0.36 7 0.63 8 -0.15 9 -0.15 > 1 > 5 1 1 acceptor 1 3 acceptor 6 11 15 16 17 18 19 rings 6 2 3 4 5 6 7 rings 6 4 5 8 9 10 12 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0401D70300000001 > 60.8164 > 25.402 > 10062212 137 18408040702140606671 10319926 262 18054202386230473602 10411042 1 18339642356083510047 10616163 171 18339362959343664398 11045515 52 17967250897117596405 11046707 91 18412262835301962855 11543360 7 16443067243887286039 11578080 2 17750769135389101140 12032990 46 18340488966940667799 12107183 9 17469314834655711106 12236239 1 18041000605707520510 12553582 1 18340198682696486975 12788726 201 18335985246859275217 13103583 49 18047789076476215739 13140716 1 18341894108547040905 13288520 33 18412547599954733503 13862211 1 18412541033324687031 14576447 43 18260548944121198798 14790565 3 17836089970462689337 15196674 1 18411418448905288725 15375462 189 18259987054465316442 15536298 74 18271241745702851400 16752209 62 18337662006212273737 16945 1 18340768135451628585 17492 89 18336828568257819738 17804303 29 18343019999652685737 18186145 218 13551196575856773950 18222031 100 18129936892547633999 200 152 18040719160231188962 20028762 73 17845089761146862799 20281475 54 18407758127303965763 20374829 77 18411698798822100999 20510252 161 18128817439196733760 21033648 29 16486681485579368187 21267235 1 18410301328154491067 21634736 98 18336549425088907652 221490 88 18119534481666947163 22182313 1 18194378178135277213 22950370 63 18409737287189640923 2297311 6 18272100370227257350 23366157 5 18043809999123401468 23402539 116 18411413990571038695 23557571 272 17987239932927299924 23559900 14 18341326717729200048 2748010 2 18268418200270061853 3004659 81 18113897156702411550 3091708 16 9136087877741905641 335352 9 18411417311598623357 465052 167 18270125750381425367 474 4 17314244413648117164 5104073 3 18270965747315534235 573450 72 18262512585798903634 67856867 119 18259984907889237356 68521 5 18411139104068937085 7164475 11 18262236608596538182 7364860 26 18055916747173270369 77492 1 17895763881284779752 7970288 3 18340201985416204511 8863177 126 17826525654336904915 9709674 26 18336554815563482090 > 375.18 9.55 2.62 0.83 2.9 1.48 -0.04 -6.16 -0.85 -2.27 0.3 0.78 -0.11 -0.64 > 824.521 > 202.3 > 2 5 10 $$$$