mcule 28032418432D 21 20 0 0 0 0 0 0 0 0999 V2000 -2.3125 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 0.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4334 -0.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5501 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0959 1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0959 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5501 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3334 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 1.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 -0.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 0.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 13 1 0 0 0 0 8 2 2 0 0 0 0 9 4 2 0 0 0 0 10 14 1 0 0 0 0 11 5 2 0 0 0 0 12 7 2 0 0 0 0 13 6 1 0 0 0 0 14 15 1 0 0 0 0 15 5 1 0 0 0 0 16 4 1 0 0 0 0 10 17 1 6 0 0 0 18 20 1 0 0 0 0 19 7 1 0 0 0 0 1 20 1 6 0 0 0 10 21 1 1 0 0 0 M END > MCULE-3371744018 > unknown (not confirmed) $$$$