HMDB0041605
     RDKit          3D
Propyleneglycol diacetate
 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.2038    1.1073    0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0202    0.4715   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2607    1.2138   -0.8306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7082   -0.8461   -0.0795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6536   -1.5554   -0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7237   -1.2147   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6443   -2.1912   -0.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0730    0.1042   -0.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5361    0.9664    0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110    2.3633    0.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6340    0.4971    1.7919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8579    0.3896    0.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7941    1.5757   -0.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9173    1.9209    1.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -1.5191   -1.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866   -2.6514   -0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8351   -1.4506    0.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3173   -3.2043   -0.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6872   -2.0614   -0.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4065   -2.0889   -1.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0845    3.0818    0.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7084    2.6393    1.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453    2.4521   -0.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  5 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
 10 21  1  0
 10 22  1  0
 10 23  1  0
M  END