D0T5OS
  -OEChem-10101305022D

 27 27  0     1  0  0  0  0  0999 V2000
    2.8660   -2.8770    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1230    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3770    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660   -3.7430    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3660   -2.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1230    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.2056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.5154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    3.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    3.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2 17  1  0  0  0  0
  3 14  1  0  0  0  0
  4 14  2  0  0  0  0
 10  8  1  6  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  2  0  0  0  0
 13 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
M  CHG  4   3  -1   5  -1   6  -1   8   1
M  END

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