KEGG:C07455  Nitroglycerin
  ISISHOST03240423172D 1   1.00000     0.00000  6501
 15 14  0     0  0            999 V2000
   -0.4379   -0.1655    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.4345    0.6586    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4448   -0.9897    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2655   -0.1655    0.0000 O   0  0  0  0  0  0           0  0  0
    0.3897    0.6586    0.0000 O   0  0  0  0  0  0           0  0  0
    0.3828   -0.9897    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.0897   -0.1621    0.0000 N   0  3  0  0  0  0           0  0  0
    1.2138    0.6586    0.0000 N   0  3  0  0  0  0           0  0  0
    1.2069   -0.9897    0.0000 N   0  3  0  0  0  0           0  0  0
   -2.0931    0.6621    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.9138   -0.1586    0.0000 O   0  5  0  0  0  0           0  0  0
    1.2103    1.4828    0.0000 O   0  0  0  0  0  0           0  0  0
    2.0414    0.6586    0.0000 O   0  5  0  0  0  0           0  0  0
    1.2034   -0.1655    0.0000 O   0  0  0  0  0  0           0  0  0
    2.0310   -0.9897    0.0000 O   0  5  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  5  8  1  0     0  0
  6  9  1  0     0  0
  7 10  2  0     0  0
  7 11  1  0     0  0
  8 12  2  0     0  0
  8 13  1  0     0  0
  9 14  2  0     0  0
  9 15  1  0     0  0
M  CHG  6   7   1   8   1   9   1  11  -1  13  -1  15  -1
M  END