11775 -OEChem-03282416293D 34 36 0 0 0 0 0 0 0999 V2000 0.0000 0.0354 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 1.4458 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2475 -0.7305 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2567 -0.7154 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2211 2.1356 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7957 -1.0681 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 -1.0449 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1948 2.1509 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7964 -1.0675 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8082 -1.0473 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 3.5305 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9841 -1.7986 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0072 -1.7611 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 3.5457 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9846 -1.7982 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 -1.7636 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 4.2355 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5784 -2.1637 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6046 -2.1205 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1852 1.6368 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3383 -0.7835 2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3503 -0.7646 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 1.6642 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3394 -0.7826 -2.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3469 -0.7691 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1737 4.0683 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4469 -2.0825 2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4744 -2.0381 -2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1227 4.0955 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4478 -2.0817 -2.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 -2.0428 2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 5.3215 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5038 -2.7322 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5368 -2.6777 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 8 14 2 0 0 0 0 8 23 1 0 0 0 0 9 15 2 0 0 0 0 9 24 1 0 0 0 0 10 16 2 0 0 0 0 10 25 1 0 0 0 0 11 17 2 0 0 0 0 11 26 1 0 0 0 0 12 18 2 0 0 0 0 12 27 1 0 0 0 0 13 19 2 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 M END > 11775 > 0.6 > 1 2 3 4 > 34 1 -0.3 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 0.1 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 0.1 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 4 0.1 5 -0.15 6 -0.15 7 -0.15 8 -0.15 9 -0.15 > 3 > 4 1 1 cation 6 2 5 8 11 14 17 rings 6 3 6 9 12 15 18 rings 6 4 7 10 13 16 19 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00002DFF00000001 > 90.3161 > 20.297 > 1100329 8 18265048038275414065 116883 192 18342447098260111253 12532896 13 17476069134131256542 12553582 1 18410866455245212582 12592029 89 17617084146267677091 12707595 3 18334858359057739051 12730499 353 17686333575246037815 12788726 201 18118413851389597131 13140716 1 18410575041724124705 13149001 5 18118936171300707861 13538477 17 17826524262307784738 136203 1 18122342380681336458 13681431 1 18340198721313704179 15042514 8 18049729516234086611 15309172 13 17255961698392474009 15906896 17 17903643986167819155 16945 1 18122626325243123588 1813 80 18272666648474832638 19591789 44 17112410572386779902 20028762 73 17985547754942596533 20097449 115 18411138047501655546 20361792 2 18413107272975130743 20645476 183 17543361457907322526 20711985 344 18193552268429194186 20905425 154 18413113857660967204 21041028 32 18409177609879642065 21304303 282 17252824336309263508 21524375 3 17112970228089735677 21731228 192 17257370739517421792 22112679 90 18268454385005176538 2255824 54 17908991246041600023 23419403 2 17609732644110209436 23557571 272 18127405658235734690 23559900 14 17551506653601650342 23598288 3 17901977169516228778 23728640 28 17687740541337513154 2748010 2 18269538507923509876 3060560 45 17618213353130675653 3091708 16 9065995072158743921 31174 14 18118410780984073459 3187 122 17975935931329047792 474 4 17692820701964558025 6138700 20 18122915489103409636 633830 44 17407423776020754805 6442390 28 17334507003376043545 7364860 26 18123191474357132431 81228 2 18196081153836554897 8272917 22 17979361086095541167 > 386.03 5.07 4.96 1.23 0.12 7.45 0 -6.32 0 -0.12 0 0.01 -0.88 0 > 848.315 > 206.2 > 2 5 10 $$$$