B40TFX
  -OEChem-04012118552D

 20 21  0     0  0  0  0  0  0999 V2000
    5.0032    1.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4154    2.6739    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2740    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5352   -0.3733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032    1.8649    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3122    0.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    0.6048    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5032   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1003   -0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9062   -0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1003   -2.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9062   -2.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -3.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5 10  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  CHG  4   2  -1   3  -1   5   1   7   1
M  END

$$$$