
     RDKit          2D

 56 60  0  0  0  0  0  0  0  0999 V2000
   -2.4955   -4.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4918   -5.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8037   -6.8202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5046   -7.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6101   -6.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0773   -6.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 N   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
   -2.7394   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1913   -2.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2226   -1.0685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3347   -2.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6862   -3.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0953   -3.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2074   -4.9051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6560   -0.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7555    0.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9949   -0.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3036    1.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7868    1.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7220    2.7393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2053    2.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1740    4.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1093    5.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5612    6.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4965    7.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9797    7.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9150    8.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3982    8.6031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3669   10.2230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3022   11.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7542   12.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6894   13.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1727   13.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7207   12.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7854   11.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3334    9.7758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5277    6.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5925    5.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1915    3.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4415    4.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2021    5.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7189    5.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2855    5.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1859    4.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0534    5.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379    2.7948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  0
 20 25  1  0
 25 26  1  0
 26 27  1  6
 26 28  1  0
 28 29  1  6
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 36 47  1  0
 47 48  2  0
 28 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  1
 54 56  1  0
  7  2  1  0
 17 12  1  0
 48 33  1  0
 56 15  1  0
 45 40  1  0
M  END
