C4H10
APtclcactv08041422513D 0   0.00000     0.00000
 
 14 13  0  0  0  0  0  0  0  0999 V2000
    1.9203   -0.1373   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5462    0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5462   -0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203    0.1373   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206   -0.7585    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206   -0.7585   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6986    0.6259   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459    1.1569    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459    1.1569   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4459   -1.1569   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4459   -1.1569    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0206    0.7585    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0206    0.7585   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986   -0.6259   -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
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  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
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
> <JMOL_PARTIAL_CHARGES>
14
1 -.5828
2 -.4226
3 -.4226
4 -.5828
5  .1973
6  .1973
7  .1989
8 .2036
9 .2036
10 .2036
11 .2036
12 .1973
13 .1973
14 .1989
$$$$
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