Difference between revisions of "Models/Propanol.mol"

Latest revision as of 19:22, 18 February 2019

C3H8O |APtclcactv02181912073D 0 0.00000 0.00000 | | 12 11 0 0 0 0 0 0 0 0999 V2000 | 0.5267 -0.4947 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | -0.5950 0.5458 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | -1.9499 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 1.7922 0.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 0.4436 -1.1185 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 | 0.4436 -1.1185 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 | -0.5119 1.1696 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 | -0.5119 1.1696 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 | -2.0330 -0.7887 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 | -2.0330 -0.7887 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 | -2.7490 0.5764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | 2.5508 -0.4305 -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 | 1 5 1 0 0 0 0 | 1 6 1 0 0 0 0 | 2 7 1 0 0 0 0 | 2 8 1 0 0 0 0 | 3 9 1 0 0 0 0 | 3 10 1 0 0 0 0 | 3 11 1 0 0 0 0 | 4 12 1 0 0 0 0 |M END