
     RDKit          2D

 51 57  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 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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7383    8.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8531    7.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3203    7.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7838    9.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3240    6.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2430    6.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512    6.3725    0.0000 S   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  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  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
  7 39  2  0
 39 40  1  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 44 46  1  0
 43 47  2  0
 47 48  1  0
 40 49  2  0
 49 50  1  0
 50 51  2  0
 51  3  1  0
 50  6  1  0
 38  9  1  0
 48 41  1  0
 37 11  1  0
 26 15  1  0
 24 22  1  0
M  END
