1-Butanethiol
-ISIS- 3D
s99 C4H10S CCCCS
15 14 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 S 0 0 0 0 0
1.7727 0.0000 0.0000 C 0 0 0 0 0
2.2185 1.4400 0.0000 C 0 0 0 0 0
3.7307 1.5403 0.0000 C 0 0 0 0 0
4.1839 2.9774 0.0000 C 0 0 0 0 0
-0.2082 -1.3040 -0.0000 H 0 0 0 0 0
2.1607 -0.5302 -0.9028 H 0 0 0 0 0
2.1609 -0.5303 0.9026 H 0 0 0 0 0
1.8075 1.9640 0.9039 H 0 0 0 0 0
1.8082 1.9636 -0.9044 H 0 0 0 0 0
4.1403 1.0151 -0.9030 H 0 0 0 0 0
4.1405 1.0150 0.9029 H 0 0 0 0 0
5.2993 3.0317 0.0000 H 0 0 0 0 0
3.8040 3.5108 0.9048 H 0 0 0 0 0
3.8047 3.5104 -0.9054 H 0 0 0 0 0
1 2 1 0 0 0
1 6 1 0 0 0
2 3 1 0 0 0
2 7 1 0 0 0
2 8 1 0 0 0
3 4 1 0 0 0
3 9 1 0 0 0
3 10 1 0 0 0
4 5 1 0 0 0
4 11 1 0 0 0
4 12 1 0 0 0
5 13 1 0 0 0
5 14 1 0 0 0
5 15 1 0 0 0
M END