2-Propanethiol
-ISIS- 3D
s98 C3H8S CC(C)S
12 11 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0
1.5069 0.0000 0.0000 C 0 0 0 0 0
2.0706 1.3955 0.0000 C 0 0 0 0 0
1.9885 -0.9227 1.4529 S 0 0 0 0 0
-0.3918 -1.0456 0.0480 H 0 0 0 0 0
-0.3814 0.4795 -0.9349 H 0 0 0 0 0
-0.3965 0.5695 0.8758 H 0 0 0 0 0
1.8817 -0.5505 -0.9024 H 0 0 0 0 0
3.1873 1.3713 -0.0183 H 0 0 0 0 0
1.7414 1.9570 0.9082 H 0 0 0 0 0
1.7176 1.9519 -0.9036 H 0 0 0 0 0
3.2943 -0.7339 1.4042 H 0 0 0 0 0
1 2 1 0 0 0
1 5 1 0 0 0
1 6 1 0 0 0
1 7 1 0 0 0
2 3 1 0 0 0
2 4 1 0 0 0
2 8 1 0 0 0
3 9 1 0 0 0
3 10 1 0 0 0
3 11 1 0 0 0
4 12 1 0 0 0
M END