
     RDKit          2D

 49 52  0  0  0  0  0  0  0  0999 V2000
    6.3853  -13.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853  -13.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1353  -14.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1353  -11.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6353  -11.7395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8853  -10.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6353   -9.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853  -10.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3647   -9.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853   -7.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8853   -7.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3647   -6.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -5.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3601   -4.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3601   -2.6694    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    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    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
   -3.2831    0.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7466    1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7429    2.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2064    3.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6737    4.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6774    3.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2138    1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821   -0.7386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4638   -1.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8341   -1.3420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7757   -3.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4638   -4.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821   -6.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0893   -6.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3028   -5.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6731   -6.1313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8866   -5.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8299   -7.6231    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9867   -9.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3381   -7.7799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3217   -7.4663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1460   -4.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2831   -6.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7466   -8.2767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7913   -7.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3647  -11.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853  -13.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8647  -11.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  6
  9 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 22 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  2  0
 39 42  2  0
 36 43  2  0
 34 44  1  0
 44 45  2  0
 44 46  1  0
  8 47  1  0
 47 48  1  0
 47 49  1  0
 46 12  1  0
 21 16  1  0
 28 23  1  0
 43 32  1  0
M  END
