8882 -OEChem-03282422033D 13 13 0 0 0 0 0 0 0999 V2000 0.0414 1.2591 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 0.4131 0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2341 0.3330 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7005 -0.9807 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6347 -1.0245 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0532 1.6205 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0703 2.1411 0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9861 0.6439 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6154 0.5653 1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6489 0.4582 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 0.5123 -0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -1.8503 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2138 -1.9339 -0.1085 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 6 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 M END > 8882 > 0.4 > 1 > 6 12 0.15 13 0.15 2 0.14 3 0.14 4 -0.29 5 -0.29 > 0.6 > 1 5 1 2 3 4 5 rings > 5 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000022B200000001 > 1.8995 > 5.074 > 16714656 1 18338248106350650380 20096714 4 18411704304585033073 21015797 1 9290854008958753127 21040471 1 18411138008931274369 5943 1 12583404645670800043 > 102.9 1.39 1.39 0.62 0.01 0.02 0 0.04 0.06 0 -0.05 0 0.01 -0.01 > 199.764 > 62.3 > 2 5 10 $$$$