Deoxycholic acid disulfate.mol
Mrv1652305231919102D
40 43 0 0 0 0 999 V2000
-2.4565 -2.0378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4565 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7420 -0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7420 -2.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0276 -2.0378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3131 -2.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 -2.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 -1.2128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1158 -0.8003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9005 -1.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3854 -0.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9005 0.2796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1554 1.0643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9702 1.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2659 1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0807 2.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6034 1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1158 0.0247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1158 0.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 0.4372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3131 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3131 -0.8003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0276 -1.2128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0276 -0.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3764 2.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5999 1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 1.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3131 1.6747 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
0.0994 2.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7256 0.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0276 2.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1710 -2.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8855 -2.0378 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.4730 -1.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2980 -2.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5999 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0276 -2.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3131 -1.6253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 -0.3878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1158 -1.6253 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 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 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
28 29 2 0 0 0 0
28 30 2 0 0 0 0
28 31 1 0 0 0 0
27 28 1 0 0 0 0
20 27 1 6 0 0 0
33 34 2 0 0 0 0
33 35 2 0 0 0 0
33 36 1 0 0 0 0
32 33 1 0 0 0 0
1 32 1 6 0 0 0
5 37 1 1 0 0 0
22 38 1 6 0 0 0
8 39 1 1 0 0 0
9 40 1 6 0 0 0
M END