BS79XP -OEChem-04022115243D 31 31 0 0 0 0 0 0 0999 V2000 2.6971 -1.0120 -0.2681 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5404 -0.7824 0.1175 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0327 0.5548 1.3136 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9299 0.2357 -0.6485 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 -1.3399 0.8544 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.5263 0.8627 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0082 -1.8613 -1.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3482 -0.2038 1.1821 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1047 -0.9364 -1.2162 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9599 0.4134 -0.8476 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9444 -2.2965 0.6387 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5724 2.3786 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 1.5692 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7073 1.5860 -0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1658 0.8802 -1.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4016 1.5795 0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0589 0.1326 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3494 0.1487 -1.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5851 0.8480 1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2265 -0.3680 0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5097 3.2656 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 2.7631 -1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 2.2041 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7182 1.2320 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1738 0.6763 -1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6232 0.8871 -2.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 2.1307 1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6969 -0.4056 -2.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1175 0.8441 2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1365 -2.5765 1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9691 -3.0749 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 20 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 5 20 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 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 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 26 1 0 0 0 0 16 19 2 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$