mcule 29032416302D 20 22 0 0 0 0 0 0 0 0999 V2000 -1.8918 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2043 0.3249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3959 0.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5667 -1.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8959 -0.6333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5376 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8041 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3959 1.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6416 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8999 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2042 -1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 3 2 3 0 0 0 8 5 1 0 0 0 0 9 16 2 0 0 0 0 10 18 2 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 4 2 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 8 2 0 0 0 0 18 19 1 0 0 0 0 19 12 2 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 10 9 1 0 0 0 0 15 13 1 0 0 0 0 M END > MCULE-2594494867 $$$$