KEGG:C11623  Triton X-100
  ISISHOST03240423292D 1   1.00000     0.00000 12473
 18 18  0     0  0            999 V2000
   12.4125  -14.4667    0.0000 O   0  0  0  0  0  0           0  0  0
   13.4333  -14.0542    0.0000 C   0  0  0  0  0  0           0  0  0
   14.1458  -14.4667    0.0000 C   0  0  0  0  0  0           0  0  0
   14.8625  -14.0542    0.0000 O   0  0  0  0  0  0           0  0  0
   15.9292  -14.4667    0.0000 C   0  0  0  0  0  0           0  0  0
   15.9282  -15.2941    0.0000 C   0  0  0  0  0  0           0  0  0
   16.6407  -15.7108    0.0000 C   0  0  0  0  0  0           0  0  0
   17.3583  -15.2958    0.0000 C   0  0  0  0  0  0           0  0  0
   17.3593  -14.4684    0.0000 C   0  0  0  0  0  0           0  0  0
   16.6427  -14.0559    0.0000 C   0  0  0  0  0  0           0  0  0
   18.0765  -15.7134    0.0000 C   0  0  3  0  0  0           0  0  0
   18.5463  -16.3967    0.0000 C   0  0  0  0  0  0           0  0  0
   18.7956  -15.2975    0.0000 C   0  0  0  0  0  0           0  0  0
   19.5138  -15.7151    0.0000 C   0  0  3  0  0  0           0  0  0
   17.6625  -16.4292    0.0000 C   0  0  0  0  0  0           0  0  0
   19.5128  -16.5442    0.0000 C   0  0  0  0  0  0           0  0  0
   20.2329  -15.2993    0.0000 C   0  0  0  0  0  0           0  0  0
   20.2292  -16.1250    0.0000 C   0  0  0  0  0  0           0  0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10  5  1  0     0  0
  2  3  1  0     0  0
  8 11  1  0     0  0
  1  2  1  0     0  0
 11 12  1  0     0  0
  3  4  1  0     0  0
 11 13  1  0     0  0
 13 14  1  0     0  0
  4  5  1  0     0  0
 11 15  1  0     0  0
  5  6  2  0     0  0
 14 16  1  0     0  0
  6  7  1  0     0  0
 14 17  1  0     0  0
  7  8  2  0     0  0
 14 18  1  0     0  0
M  STY  1   1 SRU
M  SLB  1   1   1
M  SCN  1   1 HT
M  SAL   1  3   2   3   4
M  SBL   1  2   6  11
M  SDI   1  4   13.0400  -14.9200   13.0400  -13.6200
M  SDI   1  4   15.4900  -13.6200   15.4900  -14.9200
M  END