butanerp.mol
  -ISIS-            3D

 14 12  0  0  0  0  0  0  0  0  0
    0.0476   -0.0141    0.0010 C   0  0  0  0  0
    1.8951    0.0142   -0.0009 C   0  0  0  0  0
    2.3218    1.4296    0.0000 C   0  0  0  0  0
    2.0756    1.9919    0.9172 H   0  0  0  0  0
    3.4512    1.3686   -0.0005 H   0  0  0  0  0
    2.0776    1.9928   -0.9174 H   0  0  0  0  0
    2.0754   -0.5577    0.9234 H   0  0  0  0  0
    2.0787   -0.5576   -0.9247 H   0  0  0  0  0
   -0.3790   -1.4296    0.0026 C   0  0  0  0  0
   -0.1350   -1.9909    0.9213 H   0  0  0  0  0
   -1.5084   -1.3686    0.0028 H   0  0  0  0  0
   -0.1324   -1.9937   -0.9133 H   0  0  0  0  0
   -0.1323    0.5562   -0.9244 H   0  0  0  0  0
   -0.1361    0.5593    0.9237 H   0  0  0  0  0
  1  9  1  0  0  0
  1 13  1  0  0  0
  1 14  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  5  1  0  0  0
  3  6  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
  9 12  1  0  0  0
<CHARGE>
 1 
<MULTIPLICITY>
 2