B5857.sdf
  ChemDraw11041516552D

 40 45  0  0  0  0  0  0  0  0999 V2000
    5.9705    5.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1424    4.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1858    5.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0585    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3641    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3937    1.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6994    1.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4733   -2.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0611   -1.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8689   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9443   -4.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -4.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6928   -5.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7681   -4.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966   -4.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2355   -3.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9378    4.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5985   -0.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5437    0.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    2.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0605   -3.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2084   -0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2361   -1.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8233   -2.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7448    4.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5255    3.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3699    2.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0695   -1.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3577    4.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5494    2.7682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6212   -0.9614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7051    3.6085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0778    3.0823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4947   -4.8190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6844   -1.2395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8551    2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1424   -4.9060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4727   -3.9967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8314    3.4181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0164   -2.3952    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  6  4  1  0      
  7  5  2  0      
  9  8  2  0      
 13 10  1  0      
 14 11  1  0      
 15 12  1  0      
 19  4  2  0      
 19  5  1  0      
 20  6  2  0      
 20  7  1  0      
 21  8  1  0      
 21 16  2  0      
 22 18  2  0      
 22 19  1  0      
 23  9  1  0      
 24 16  1  0      
 24 23  2  0      
 25 17  2  0      
 26 17  1  0      
 29  1  1  0      
 29  2  1  0      
 29  3  1  0      
 29 25  1  0      
 30 20  1  0      
 30 27  1  0      
 31 22  1  0      
 31 28  2  0      
 32 26  2  0      
 32 27  1  0      
 33 26  1  0      
 34 10  1  0      
 34 11  1  0      
 34 12  1  0      
 35 18  1  0      
 35 23  1  0      
 35 28  1  0      
 36 27  2  0      
 37 13  1  0      
 37 14  1  0      
 38 15  1  0      
 38 21  1  0      
 39 25  1  0      
 39 33  1  0      
 40 24  1  0      
 40 28  1  0      
M  END
$$$$
