3a,6a,7b-Trihydroxy-5b-cholanoic acid.mol
Mrv1652305261923582D
33 36 0 0 0 0 999 V2000
-2.4539 -2.1276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4539 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7395 -0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7395 -2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0250 -2.1276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3105 -2.5401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4040 -2.1276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4040 -1.3026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1184 -0.8901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9030 -1.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3880 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9030 0.1898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1580 0.9744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5746 1.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7881 2.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5850 2.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9650 1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1184 -0.0651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1184 0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4040 0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3105 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3105 -0.8901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0250 -1.3026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0250 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7986 3.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1684 1.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1184 -2.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3105 -3.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1684 -2.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0250 -2.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3105 -1.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4040 -0.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1184 -1.7151 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 1 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
7 27 1 1 0 0 0
6 28 1 6 0 0 0
1 29 1 6 0 0 0
5 30 1 1 0 0 0
22 31 1 6 0 0 0
8 32 1 1 0 0 0
9 33 1 6 0 0 0
M END