
     RDKit          2D

 53 59  0  0  0  0  0  0  0  0999 V2000
   -4.4336   14.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5331   13.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1994   12.3238    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
   -4.5318    9.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1980    7.9366    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
   -3.5845    4.8644    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
   -1.6058    4.3881    0.0000 O   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
   -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
    4.7412    4.8020    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
    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
   -1.0838   -2.1015    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
   -3.7190   -3.3705    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
   -7.0049   -0.7500    0.0000 C   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
   -8.4673    1.0838    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
   -5.1814    3.0367    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
   -2.7647    7.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6651    8.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2317    8.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1021    6.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5354    6.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    7.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    8.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4008    9.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8342    9.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0670   11.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8679    9.0929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9989    9.9771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4322   10.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7660   11.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664   12.9019    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
 33 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  6
  7 39  2  0
 39 40  1  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  1  0
 45 49  2  0
 40 50  2  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 52  3  1  0
 51  6  1  0
 38  9  1  0
 49 41  1  0
 37 11  1  0
 26 15  1  0
 24 22  1  0
M  END
