
     RDKit          2D

 68 73  0  0  0  0  0  0  0  0999 V2000
   -6.0729    1.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2699    0.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2169    0.5323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5135    0.1823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5745    0.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4045    1.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4619    1.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3819    2.9493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6111    1.3941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105    1.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7091    2.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8459    3.3739    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0147    2.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0093    1.8837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8525    1.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8551    0.3883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9027    2.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6085    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6517    2.9563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0429    2.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7787    0.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7623    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3893    0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0275    1.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9881   -0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1585   -1.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -1.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589   -0.3391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -1.5093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.8613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6263   -3.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1009   -3.2351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0315   -3.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -4.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2973   -4.4021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3535   -5.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829   -3.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3807   -4.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5739   -2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367   -2.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1575   -3.4063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0185   -0.9807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -1.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6543   -0.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8009   -2.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945   -2.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8989   -0.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3527    0.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9921    1.0609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8619   -0.3131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621   -2.9211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7849   -2.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5181   -3.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9999   -1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3253   -1.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3853   -0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4801   -1.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8969   -1.1811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8003   -0.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8903    0.2651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    4.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9691    5.0083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0967    4.3587    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1653    3.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7823    4.1909    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1799    4.8647    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
  7  9  1  0
  9 10  1  0
 10 11  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 13 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 23 26  1  0
 26 27  1  0
 27 28  1  6
 28 29  1  0
 28 30  2  0
 27 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  6
 41 42  1  0
 40 43  1  0
 43 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 46 53  1  6
 53 54  1  0
 54 55  2  0
 54 56  1  0
 56 57  1  1
 57 58  1  0
 57 59  1  0
 56 60  1  0
 60 61  1  0
 61 62  2  0
 18 63  1  0
 63 64  1  0
 63 65  1  0
 63 66  1  0
 66 67  1  0
 66 68  1  0
 61  5  1  0
 15 10  1  0
 50 17  1  0
 13 66  1  1
 25 20  1  0
 52 48  1  0
M  END
