1030 -OEChem-03282412493D 13 12 0 1 0 0 0 0 0999 V2000 -0.4721 -1.3536 -0.1558 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 0.0013 0.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4535 -0.0168 0.3428 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7489 0.7009 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7573 0.6681 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3491 -0.0765 1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7012 0.7211 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 1.7275 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 0.1308 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7824 1.7013 0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8983 0.6691 -1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2339 -1.8054 0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 -0.9097 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 M END > 1030 > 0.4 > 1 3 4 6 5 2 > 6 1 -0.68 12 0.4 13 0.4 2 -0.68 3 0.28 4 0.28 > 1 > 4 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor > 5 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0000040600000001 > 4.4699 > 20.306 > 139733 1 8861018625503705223 16714656 1 18334301933180102884 20096714 4 18334579048585757289 21015797 1 9652537233723985521 21040471 1 18411140207912286433 5460574 1 9511460021977043184 5943 1 13204420109008349723 > 91.16 2.08 1.08 0.62 0.28 0.31 -0.01 -0.42 -0.03 -0.17 0.09 -0.03 -0.02 -0.03 > 155.098 > 62.1 > 2 5 10 $$$$