
     RDKit          2D

 57 63  0  0  0  0  0  0  0  0999 V2000
   -2.9285   15.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1420   14.1454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9852   12.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1988   11.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0420   10.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6717    9.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5149    8.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7284    7.2965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5716    5.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2726    5.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5844    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1578    3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4078    4.4231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0431    2.1203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6817    1.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3698    3.2209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083    1.2902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2230    2.2939    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2193    3.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2267    1.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3377    3.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8012    4.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8049    3.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0431   -2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1578   -3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5844   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0762   -3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3752   -2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2569   -1.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5688    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2569    1.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6272    2.0773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8408    1.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6840   -0.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2111    1.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5229    3.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0147    3.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6248    2.0594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0921    1.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5101    1.0558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3752    2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3789    3.7955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0762    3.4307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6863    4.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1445    7.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    8.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4393    7.8397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6528    8.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231    8.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4960   10.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0878    9.9416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4581   10.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6149   12.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4014   12.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  9  8  1  6
  9 10  1  0
 11 10  1  1
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  1
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 15 25  1  0
 26 25  1  1
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  6
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  1  0
 41 43  1  0
 34 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
  7 48  2  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 51 53  1  0
 49 54  2  0
 54 55  1  0
 55 56  2  0
 56 57  1  0
 56  3  1  0
 55  6  1  0
 47  9  1  0
 46 11  1  0
 26 15  1  0
 43 38  2  0
 24 22  1  0
M  END
