
     RDKit          2D

 40 42  0  0  0  0  0  0  0  0999 V2000
   -3.4239  -10.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4887   -9.7892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -8.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015   -7.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -7.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -7.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015   -7.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367   -6.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3705   -4.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367   -3.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3881   -2.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015   -1.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    9.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015   -1.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -0.7771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -3.1226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3881   -2.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6275   -3.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5002   -0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8517   -0.3252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3705   -4.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -6.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3881   -6.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  2  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  2  0
 16 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  1
 34 36  1  0
 36 37  1  0
 33 38  1  0
 38 39  1  0
 39 40  1  6
 39  4  1  0
 30 13  1  0
 28 21  1  0
M  END
