mcule 29032405592D 31 33 0 0 0 0 0 0 0 0999 V2000 3.0916 -1.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -2.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.5792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -1.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9291 -1.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -3.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2249 -2.9126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9666 0.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9124 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -4.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7999 1.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9291 -2.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -4.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 1.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.0207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.9668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 2 2 0 0 0 0 13 11 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 9 1 0 0 0 0 17 16 1 0 0 0 0 18 19 2 0 0 0 0 19 15 1 0 0 0 0 20 14 2 0 0 0 0 21 6 1 0 0 0 0 22 18 1 0 0 0 0 23 7 1 0 0 0 0 24 11 1 0 0 0 0 25 17 1 0 0 0 0 26 17 1 0 0 0 0 27 22 1 0 0 0 0 28 21 2 0 0 0 0 29 23 2 0 0 0 0 5 30 1 6 0 0 0 1 31 1 6 0 0 0 6 7 2 0 0 0 0 18 20 1 0 0 0 0 29 28 1 0 0 0 0 M END > MCULE-9931403933 > unknown (not confirmed) $$$$