HMDB0031310
     RDKit          3D
Benzyl acetate
 21 21  0  0  0  0  0  0  0  0999 V2000
   -3.4362    0.8896   -0.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2564    0.1836   -0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7920    0.5180    0.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6412   -0.8665   -0.9479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5324   -1.5861   -0.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675   -0.7368   -0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0463   -0.3240    1.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1609    0.4673    1.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9509    0.8844    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744    0.4727   -1.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4630   -0.3169   -1.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0933    0.1546   -1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0700    1.5869   -1.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0673    1.3533   -0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7887   -2.1516    0.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2689   -2.3364   -1.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4411   -0.6401    1.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4611    0.7941    2.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8320    1.5088    0.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1665    0.7759   -1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1827   -0.6306   -2.2856 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  5 15  1  0
  5 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
M  END