HMDB0245844
     RDKit          3D
3-Cyanoalanine
 14 13  0  0  0  0  0  0  0  0999 V2000
    1.6157    1.2220    2.2567 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4668    0.7853    1.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2775    0.2202   -0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -0.4439   -0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2825   -0.9960   -1.5731 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1775    0.4872    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0895    0.6839   -0.7429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2357    1.1549    1.3144 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2846    1.0724   -0.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0504   -0.5221   -0.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0869   -1.3074    0.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4380   -1.7440   -1.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2401   -1.4239   -1.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9188    0.8114    2.0001 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  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  3  9  1  0
  3 10  1  0
  4 11  1  0
  5 12  1  0
  5 13  1  0
  8 14  1  0
M  END