HMDB0255095
     RDKit          3D
n-Butylhydroperoxide
 16 15  0  0  0  0  0  0  0  0999 V2000
   -1.9674    0.3257   -0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0674   -0.5324    0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2320   -0.8977   -0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1849    0.2695   -0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819    0.6846    0.9454 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5145    1.3365    1.0231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9296    0.1314   -1.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8633    1.4135   -0.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0232    0.0869   -0.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5880   -1.4955    0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8895   -0.0137    1.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7259   -1.6393    0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836   -1.4130   -1.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414   -0.0920   -0.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8164    1.0911   -1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2480    0.7443    0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  6 16  1  0
M  END