
     RDKit          2D

 97103  0  0  0  0  0  0  0  0999 V2000
   -8.3576   -7.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0599   -5.7891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5589   -5.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3556   -7.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8546   -6.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5569   -5.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7603   -4.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4626   -3.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9616   -2.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6660   -1.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3683   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8673   -0.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5717    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2740    2.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4773    3.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8673    3.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9783    3.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2760    2.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7770    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9803    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4813    3.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6846    4.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1856    4.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    3.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2799    1.8366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    3.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2819    1.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2171    1.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    2.9442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9194    0.3478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6532    1.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2357    3.1572    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1320    4.3599    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2902    5.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6428    5.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1113    6.2675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6103    6.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8450    7.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0527    5.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3547    5.0566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4406    4.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5987    4.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2473    2.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5999    3.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8378    2.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7280    1.3363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8546   -0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3536   -0.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6199   -1.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0374   -3.0222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1410   -4.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2270   -5.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9829   -5.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6303   -5.8266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1618   -6.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2884   -7.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6628   -6.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4281   -7.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0277   -8.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7929   -9.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3925  -10.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1578  -11.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7574  -12.1349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3234  -12.5415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2204   -5.6664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184   -4.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0220   -6.1243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8325   -3.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8790   -5.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4831   -4.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5737   -2.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257   -2.6222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5451   -1.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0766   -1.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6352    7.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1235    7.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7293    8.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1621    7.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523    8.5092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6913    7.6767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3870    5.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5903    7.0838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8860    5.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5883    7.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6827    4.5963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0726    0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3703   -0.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8713   -0.5964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1670   -1.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4646   -3.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9656   -3.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2613   -4.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1634    4.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7362    5.3626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2767    5.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9628    7.3731    0.0000 O   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
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  0
 18 19  1  6
 20 19  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  1
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 31 30  1  1
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  6
 45 46  1  0
 44 47  1  0
 47 48  1  0
 48 49  2  0
 48 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  2  0
 52 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  1  6
 59 60  1  0
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 64  1  0
 63 65  2  0
 58 66  1  0
 66 67  1  0
 67 68  2  0
 67 69  1  0
 69 70  1  6
 70 71  1  0
 71 72  1  0
 72 73  1  0
 73 74  1  0
 74 75  2  0
 40 76  1  6
 76 77  1  0
 76 78  1  0
 36 79  1  1
 79 80  1  0
 79 81  2  0
 22 82  1  0
 82 83  1  1
 82 84  1  0
 84 85  1  1
 84 86  1  0
 18 87  1  0
 87 88  1  0
 88 89  1  0
 88 90  2  0
 90 91  1  0
 91 92  2  0
 91 93  1  0
 15 94  1  0
 94 95  2  0
 94 96  1  0
 96 97  1  0
 93  3  1  0
 93  7  2  0
 90 10  1  0
 87 13  2  0
 86 20  1  0
 74 31  1  0
 73 69  1  0
M  END
$$$$
