BW87HR
  -OEChem-04012117552D

 20 21  0     0  0  0  0  0  0999 V2000
    4.9889    1.6913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.0639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.7408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -2.0118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815   -2.4085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783   -1.6266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5956    1.8192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 20  1  0  0  0  0
  2  7  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END

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