BK4H7S
  -OEChem-04022101433D

 18 18  0     0  0  0  0  0  0999 V2000
   -2.4759   -1.8714    0.0100 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5333    0.0467    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4404   -1.8572   -0.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4596   -0.6026   -0.0008 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.6243    0.1135   -0.0039 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879    0.1004   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280    0.1044    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0213   -0.5950   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1902    1.4953   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2257    1.4993    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0165    2.1948    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4466   -0.6283   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0111   -1.6825   -0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0891    2.0998    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462    2.0775    0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0156    3.2810    0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6916    1.1229   -0.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5161   -0.3717    0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
  4  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  CHG  2   2  -1   4   1
M  END

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