ChEBI


 16 15  0  0  1  0  0  0  0  0  1 V2000
    5.1394  -29.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1394  -28.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1394  -30.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3325  -29.9672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1428  -28.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3325  -28.9293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1359  -31.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9463  -30.7741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1428  -27.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9497  -28.1259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8359  -31.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8428  -26.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2307  -28.1453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9407  -28.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0787  -30.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0927  -29.9313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  5 13  1  1  0  0  0
  2 14  1  1  0  0  0
  3 15  1  1  0  0  0
  1 16  1  1  0  0  0
M  END