HMDB0255203
     RDKit          3D
N-NITROSODIETHANOLAMINE
 19 18  0  0  0  0  0  0  0  0999 V2000
    0.0156   -1.7619    1.8375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2856   -1.8771    0.6099 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0278   -0.7536   -0.1706 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056   -0.6399   -0.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0579    0.4765   -0.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    0.1506    1.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9537    0.3543   -0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2736    0.0938    0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1499    1.1739    0.2626 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9991   -0.3642   -1.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8210   -1.5606   -0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063    1.4395   -0.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931    0.5917   -0.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2315   -0.1751    1.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1077    0.5138   -1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    1.2906    0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2301   -0.2140    1.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7760   -0.7439   -0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8132    2.0054    0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  0
  8  9  1  0
  4 10  1  0
  4 11  1  0
  5 12  1  0
  5 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
M  END