mcule 28032420102D 19 20 0 0 0 0 0 0 0 0999 V2000 -2.7289 2.8270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1054 2.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 1.2178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6163 1.4795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6642 2.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6642 -3.7973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1044 2.0879 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1213 -2.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4392 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9756 0.4395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 2.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5701 1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5763 -2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5165 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4585 3.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0428 -1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5774 -2.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 -0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0476 -1.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 8 3 0 0 0 0 7 2 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 9 1 0 0 0 0 11 9 2 0 0 0 0 12 7 1 0 0 0 0 13 17 2 0 0 0 0 14 10 1 0 0 0 0 15 1 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 18 14 1 0 0 0 0 19 14 2 0 0 0 0 3 4 1 0 0 0 0 13 16 1 0 0 0 0 M END > MCULE-2702886047 $$$$