B1XM3E -OEChem-04022108183D 27 28 0 0 0 0 0 0 0999 V2000 2.9545 1.7560 0.9998 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 1.8351 -0.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4796 -0.5433 0.4068 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3188 -0.2296 -0.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3893 -0.4587 1.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9487 -0.4455 0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4078 0.7013 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 0.3464 0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6053 -1.5783 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7357 -1.5970 0.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7035 -1.3870 -1.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6537 0.6967 -0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9817 -1.6017 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4408 -0.4548 -0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 2.9603 -0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4942 0.4324 1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 -1.3167 2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9009 -2.3926 -0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3917 -2.4989 1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1714 0.1385 -1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 -1.9918 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0758 1.5484 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5943 -2.4983 0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4111 -0.4597 -1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4671 3.7704 -0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1181 3.3172 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3368 2.7564 -1.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 12 2 0 0 0 0 9 11 2 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 M END $$$$