HMDB0246473
     RDKit          3D
Iniparib
 18 18  0  0  0  0  0  0  0  0999 V2000
   -3.2766   -0.0081   -0.0190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1224    0.4409   -0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    1.1172   -1.7500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8214    0.0936   -0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6563   -0.6540    0.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.9741    1.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7141   -0.5332    0.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6239   -1.0060    1.5655 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    0.2227   -0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7590    0.6770   -1.0161 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.7951    0.0152   -1.0069 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7077    1.8628   -1.6844 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.3234    0.5169   -0.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0864    0.6481    0.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3144   -0.9647    0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -0.9947    1.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320   -1.5659    2.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2640    1.1063   -1.7023 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9 13  2  0
 13  4  1  0
  1 14  1  0
  1 15  1  0
  5 16  1  0
  6 17  1  0
 13 18  1  0
M  CHG  2  10   1  12  -1
M  END