3-Oxo-4,6-choladienoic acid.mol Mrv0541 02231218322D 30 33 0 0 0 0 999 V2000 -3.1441 -2.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1441 -1.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4296 -1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4296 -2.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7151 -2.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0006 -2.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2862 -2.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2862 -1.5302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4283 -1.1177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2129 -1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6978 -0.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2129 -0.0378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4679 0.7469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2647 0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2752 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8845 1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 -0.2927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4283 0.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2862 0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0006 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0006 -1.1177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7151 -1.5302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7151 -0.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8585 1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4887 2.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8585 -2.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0006 -1.9427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2862 -0.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 -1.9427 0.0000 H 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 1 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 13 17 1 6 0 0 0 12 18 1 0 0 0 0 9 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 3 23 1 0 0 0 0 5 23 1 0 0 0 0 23 24 1 1 0 0 0 16 25 2 0 0 0 0 16 26 1 0 0 0 0 1 27 2 0 0 0 0 22 28 1 6 0 0 0 8 29 1 1 0 0 0 9 30 1 6 0 0 0 M END