B5556.sdf
  ChemDraw07171714232D

 37 39  0  0  0  0  0  0  0  0999 V2000
   -1.3721    1.7697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6892    1.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0531    1.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2825    2.4590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1070    2.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3873    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1798    1.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850    0.9089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907    2.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4639    3.0693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7632    2.6338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3136    2.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0895    2.4654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4588    2.9973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5112    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8105    0.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0175    0.7328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3284    1.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6394    2.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7360    1.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6764    0.3807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1255   -0.8020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8679   -1.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9274   -1.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6698   -2.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7294   -3.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4718   -3.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1546   -3.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8970   -3.4241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6394   -3.7840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2568   -2.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5371   -4.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0950   -2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3527   -1.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7488    0.4838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2994    4.1665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  2  0      
  3  4  1  0      
  4  5  2  0      
  5  6  1  0      
  7  6  1  1      
  7  8  1  6      
  7  9  1  0      
  9 10  1  6      
  9 11  1  1      
  9 12  1  0      
 12 13  1  6      
 12 14  1  1      
 12 15  1  0      
 15 16  1  0      
  7 16  1  0      
 15 17  1  6      
 15 18  1  1      
 18 19  1  0      
  3 20  1  0      
  6 20  1  0      
 20 21  2  0      
 21 22  1  0      
 22 23  1  0      
 23 24  1  0      
 24 25  1  0      
 25 26  1  0      
 26 27  2  0      
 27 28  1  0      
 28 29  2  0      
 29 30  1  0      
 30 31  1  0      
 30 32  2  0      
 30 33  2  0      
 29 34  1  0      
 34 35  2  0      
 26 35  1  0      
 22 36  2  0      
  2 36  1  0      
M  END
$$$$
