HMDB0006524
     RDKit          3D
3-Indoleacetonitrile
 20 21  0  0  0  0  0  0  0  0999 V2000
    2.7048   -2.6089    1.2056 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567   -1.7595    0.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578   -0.7155   -0.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2972    0.2264   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4327    1.4921    0.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2081    1.9718    0.6669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7537    1.0587    0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1307    1.0757    0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8502   -0.0230    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1598   -1.1068   -0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -1.1270   -0.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0549   -0.0262   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0810   -1.2155   -1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2935   -0.1632   -0.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3728    2.0268    0.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0462    2.9138    1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6092    1.9692    0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9527   -0.0251    0.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7197   -1.9723   -0.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2402   -1.9915   -0.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  4  1  0
 12  7  1  0
  3 13  1  0
  3 14  1  0
  5 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
 11 20  1  0
M  END