allyl+.mol
  -ISIS-            3D

  8  7  0  0  0  0  0  0  0  0  0
   -0.0090    0.0172    0.0026 C   0  0  0  0  0
    1.3839   -0.0030    0.0013 C   0  0  0  0  0
    1.9715    0.9260   -0.0155 H   0  0  0  0  0
    1.9392   -0.9525    0.0187 H   0  0  0  0  0
   -0.6959   -1.1943    0.0354 C   0  0  0  0  0
   -0.1568   -2.1532    0.0545 H   0  0  0  0  0
   -1.7944   -1.2320    0.0462 H   0  0  0  0  0
   -0.5547    0.9698   -0.0178 H   0  0  0  0  0
  1  2  2  0  0  0
  1  5  2  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
M  END
<CHARGE>
1