C6H12
APtclcactv08041422553D 0   0.00000     0.00000
 
 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0335   -1.4421    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2321   -0.7501   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657    0.6920    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0335    1.4421   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2321    0.7501    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2657   -0.6920   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0335   -1.4421    1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574   -2.4695   -0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2321   -0.7501   -1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1100   -1.2844    0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1673    1.1851   -0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657    0.6920    1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0335    1.4421   -1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0574    2.4695    0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1100    1.2844   -0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2321    0.7501    1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1673   -1.1851    0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2657   -0.6920   -1.3450 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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
> <JMOL_PARTIAL_CHARGES>
18
1 -.4226
2 -.4226
3 -.4226
4 -.4226
5 -.4226
6 -.4226
7  .2113
8  .2113
9  .2113
10 .2113
11 .2113
12 .2113
13 .2113
14 .2113
15 .2113
16 .2113
17 .2113
18 .2113
$$$$
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