HMDB0013311
     RDKit          3D
trans-2-Hexenedioic acid
 18 17  0  0  0  0  0  0  0  0999 V2000
    3.8943    0.1068    1.7042 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1694   -0.1082    0.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7210   -0.1161   -0.5327 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7401   -0.3437    0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9323   -0.5776   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5157   -0.8149    0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3525    0.2310   -0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7899   -0.0260   -0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -0.9947    0.4514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7575    0.8257   -0.8361 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8362   -0.9853   -1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3122   -0.3364    1.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3123   -0.5960   -1.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7394   -1.8221   -0.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7280   -0.8545    1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1289    0.1302   -1.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560    1.2477   -0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7261    0.6548   -0.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  3 11  1  0
  4 12  1  0
  5 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
 10 18  1  0
M  END