mcule 29032407162D 18 20 0 0 0 0 0 0 0 0999 V2000 -0.4125 1.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 3.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6001 0.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9666 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 0.6833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 2.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 1.3624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9666 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -0.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -3.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -3.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7874 3.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 3.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 6 2 0 0 0 0 14 16 2 0 0 0 0 15 11 2 0 0 0 0 16 13 1 0 0 0 0 17 3 2 0 0 0 0 18 8 2 0 0 0 0 2 8 1 0 0 0 0 14 10 1 0 0 0 0 12 15 1 0 0 0 0 M END > MCULE-2303152939 $$$$