
     RDKit          2D

 50 56  0  0  0  0  0  0  0  0999 V2000
   -9.4994  -13.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0661  -13.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7323  -11.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2989  -11.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9652   -9.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0647   -8.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7310   -7.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2976   -6.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9638   -5.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9507   -4.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1814   -3.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3541   -2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5269   -3.0367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0049   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0049    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3541    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1814    3.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7190    3.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2566    3.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0838    2.1015    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
    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
    0.6666   -1.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3328   -3.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999   -1.3281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1995   -2.3484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -3.4480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2198   -1.2488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2991   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7615   -3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7412   -4.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0838   -2.1015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2566   -3.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6058   -4.3881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7190   -3.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5845   -4.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8305   -6.3382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2639   -6.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3635   -5.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0297   -4.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1293   -3.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5626   -3.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6622   -2.6993    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8964   -5.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7968   -6.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5977   -8.2428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4981   -9.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8319  -10.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2652  -11.1675    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  1
  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  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 21 20  1  6
 21 22  1  0
 22 23  1  0
 23 24  1  6
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  2  0
 27 30  1  0
 30 31  1  0
 31 32  1  0
 23 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  6
  7 38  2  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 43 45  1  0
 45 46  2  0
 39 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 49  3  1  0
 48  6  1  0
 37  9  1  0
 46 40  1  0
 36 11  1  0
 23 21  1  0
 32 30  1  0
M  END
