BWUP45
  -OEChem-04022102303D

 31 32  0     0  0  0  0  0  0999 V2000
    1.5515    1.1491   -2.6130 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4413   -1.8575    1.2757 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8566    2.9390    0.1349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9667   -2.2482   -0.1958 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9758   -2.5030   -1.0850 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3115    0.2424   -0.1900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8196   -1.8147   -0.4615 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1979    0.2237    1.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4143   -0.5259   -0.7509 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2645   -1.2093    1.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4304   -1.9268   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5045    1.0083   -0.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4997    1.8240   -0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8494    1.2874    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963   -0.0001   -0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7714    2.0707    0.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4653   -0.5045   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0405    1.5665    1.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3874    0.2788    0.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2997    0.6997    1.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590    0.7884    1.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3316    0.0055   -0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983   -0.6023   -1.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3117   -1.2192    2.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3812   -1.7836    1.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607   -2.5100   -0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3312   -2.4614   -0.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4781   -0.6169   -0.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    3.0762    1.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    2.1766    1.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3849   -0.0807    0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 13  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  CHG  2   4  -1   7   1
M  END

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