HMDB0034335
     RDKit          3D
Thermophillin
 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.5577    0.7225   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8288   -0.4613    0.0052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4523   -0.5324   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -1.6900    0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6275   -1.7563    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1798   -2.8721    0.1075 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4217   -0.5537   -0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.5960   -0.1948 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    0.4423    0.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7730    0.6104   -0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6844    0.6963   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2476    1.8150   -0.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6482    0.4415   -0.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3855    1.4286    0.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4382    1.2792   -1.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3821   -2.6234    0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4803    0.6461    1.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6909    0.1218    0.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5197    1.3768   -0.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3473    1.5048   -0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  2  0
 11  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
 10 20  1  0
M  END