
     RDKit          2D

 57 62  0  0  0  0  0  0  0  0999 V2000
   -6.4633   -2.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5973   -2.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5973   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7327   -2.6543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8619   -2.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8327   -1.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9203   -0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8087    0.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8295    0.4853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3383   -0.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0089   -1.1225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361    1.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4457    1.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5963    0.9941    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2827    0.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815   -1.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5763   -1.9205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4013   -1.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449   -0.7889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407   -2.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1813   -3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3235   -4.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5431   -3.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4075   -4.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4059   -5.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393   -5.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3253   -5.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1545   -2.1075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9947   -2.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9685   -3.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725   -1.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6013   -2.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4629   -0.8101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4579    0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3737   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3787    1.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3649    0.8199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9743    2.0427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9901    3.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629    4.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6603    4.0571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1385    3.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8465    2.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4749    3.9141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4979    3.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6685    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2247    3.5711    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2869    2.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5425    2.0297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4333    2.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2047    1.9225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1885    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9293    3.9959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0117    3.5779    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8965    2.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889    3.0225    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7063    1.7311    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  6
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 20 28  1  0
 28 29  1  0
 29 30  2  0
 16 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  1
 34 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  6
 40 41  1  0
 39 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 45 46  1  6
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  2  0
 48 52  1  1
 52 53  1  0
 52 54  1  0
 52 55  1  0
 55 56  1  0
 55 57  1  0
 29  5  1  0
 50 45  1  0
 11  7  1  0
 55 12  1  0
 48 13  1  0
 27 22  1  0
M  END
