mcule 28032412162D 23 24 0 0 0 0 0 0 0 0999 V2000 -1.0839 -0.9548 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 -1.3673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 0.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0839 -0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 0.4221 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 1.8904 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0596 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4884 1.4778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1865 2.6048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8964 -0.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 -1.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 -2.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0595 -2.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7739 -2.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4884 -2.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0595 0.2826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7739 -0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4884 0.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 8 10 1 0 0 0 0 1 14 2 0 0 0 0 1 15 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 18 19 1 0 0 0 0 2 16 1 0 0 0 0 22 23 1 0 0 0 0 21 22 1 0 0 0 0 4 21 1 1 0 0 0 M END > P-596939167 > unknown (not confirmed) $$$$