6276 -OEChem-09042100423D 18 17 0 0 0 0 0 0 0999 V2000 3.0664 0.2470 -0.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6349 -0.3969 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6762 0.3859 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8422 0.5402 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8838 -0.5404 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1493 -0.2359 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -1.0344 0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -1.0597 -0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 1.0406 0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 1.0511 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8261 1.1891 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7933 1.1904 -0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8805 -1.1880 -0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9095 -1.1718 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2109 -0.8695 -0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2449 -0.8746 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9992 0.4536 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0506 0.7804 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 M END > 6276 > 0.4 > 1 19 13 17 9 11 18 7 14 15 3 10 16 8 6 5 4 12 2 > 3 1 -0.68 18 0.4 5 0.28 > 3 > 3 1 1 acceptor 1 1 donor 1 6 hydrophobe > 6 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000188400000001 > -1.998 > 15.223 > 11062470 55 16008465434686490815 14325111 11 18410575063341307691 14390081 3 18411979156775070280 16714656 1 18410572881608600263 29004967 10 18410016519960970234 5460574 1 9223229645825110539 > 117.61 4.85 0.77 0.6 0.04 0.01 0 0.09 0.07 -0.03 0 -0.05 0 0 > 198.371 > 80.4 > 2 5 10 $$$$