Difference between revisions of "Models/2-propanol"

Revision as of 19:08, 27 February 2019

1-propanol APtclcactv02271913073D 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