
     RDKit          2D

141149  0  0  0  0  0  0  0  0999 V2000
  -11.9420   -8.7514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1088   -7.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9013   -6.3709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4833   -6.6599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6502   -5.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0246   -4.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1915   -3.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5659   -2.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2639   -1.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5857    0.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2196    1.0768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4756    1.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4795    2.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0102    2.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0141    3.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5448    3.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5486    4.4256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0793    4.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6062    2.7002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0832    5.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6139    4.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6178    6.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1485    5.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1524    6.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6831    6.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6869    7.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2176    7.4019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7785    8.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3053    9.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    8.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2439    9.3429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7132    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7093   10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1786    9.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1748   10.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6441   10.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6402   11.8016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1095   11.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9350   10.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6330    8.7779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7545    7.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4526    6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292    5.8393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5741    5.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9975    5.7895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2721    3.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8487    3.3739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5468    1.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6683    0.9085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3664   -0.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4878   -1.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9113   -1.0838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0327   -2.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4562   -1.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5776   -2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2757   -4.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3972   -5.0683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8523   -4.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5504   -6.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7308   -3.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3074   -4.0224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9429   -1.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6410   -2.5033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2176   -2.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0961   -1.9804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6727   -2.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5512   -1.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8531    0.0119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7317    1.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0336    2.4773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9121    3.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4887    3.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3672    3.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1868    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7633    1.0578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3082    0.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0063   -0.9344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3708   -3.9228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9474   -4.3960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6454   -5.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7669   -6.8614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4650   -8.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5865   -9.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0099   -8.8537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1314   -9.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5548   -9.3766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6763  -10.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3743  -11.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4958  -12.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9509  -12.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6490  -13.7845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8294  -11.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4060  -11.7923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0416   -8.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7396  -10.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9201   -7.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967   -8.2809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2220   -6.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005   -5.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4923   -4.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1903   -6.3882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157   -4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0372   -5.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8215   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3980   -0.5111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1234    1.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    2.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3936    2.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0917    1.3816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8170    3.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9385    2.3280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1874   11.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6567   10.7707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3619   12.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6639   13.7944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7797    2.4062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2725    2.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.4394    4.0435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.6959    2.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.4547    3.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.9547    3.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.6959    2.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.1958    2.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.9546    3.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.2134    4.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.7134    4.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8038    1.0684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -23.4046   -0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.8739   -0.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.3945   -1.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.8596   -2.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.3134   -3.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.7785   -3.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -24.3022   -4.6653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.7751   -3.1721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -21.6536   -4.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3948   -5.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2239   -4.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7332   -4.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4393   -3.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4281   -4.8043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 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
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  1
 42 44  1  0
 44 45  1  1
 44 46  1  0
 46 47  1  1
 48 47  1  6
 48 49  1  0
 49 50  1  0
 50 51  1  6
 51 52  1  0
 53 52  1  1
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  1
 56 58  1  0
 58 59  1  6
 58 60  1  0
 60 61  1  1
 50 62  1  0
 62 63  1  1
 64 63  1  1
 64 65  1  0
 65 66  1  0
 66 67  1  1
 67 68  1  0
 69 68  1  6
 69 70  1  0
 70 71  1  0
 71 72  1  0
 72 73  1  6
 72 74  1  0
 74 75  1  1
 74 76  1  0
 76 77  1  6
 66 78  1  0
 78 79  1  6
 80 79  1  6
 80 81  1  0
 81 82  1  0
 82 83  1  6
 83 84  1  0
 85 84  1  1
 85 86  1  0
 86 87  1  0
 87 88  1  0
 88 89  1  1
 88 90  1  0
 90 91  1  6
 90 92  1  0
 92 93  1  1
 82 94  1  0
 94 95  1  1
 94 96  1  0
 96 97  1  6
 96 98  1  0
 98 99  1  1
 78100  1  0
100101  1  1
100102  1  0
102103  1  6
 62104  1  0
104105  1  6
104106  1  0
106107  1  1
 46108  1  0
108109  1  1
108110  1  0
110111  1  0
 39112  1  0
112113  2  0
112114  1  0
114115  2  0
 12116  1  0
116117  1  0
117118  2  0
117119  1  0
119120  1  6
120121  1  0
121122  2  0
122123  1  0
123124  2  0
124125  1  0
125126  2  0
119127  1  0
127128  1  0
128129  2  0
128130  1  0
130131  1  1
131132  1  0
132133  1  0
132134  2  0
130135  1  0
135136  1  0
136137  2  0
136138  1  0
138139  1  0
139140  1  0
140141  2  0
140  8  1  0
114 38  1  0
126121  1  0
106 48  1  0
 60 53  1  0
102 64  1  0
 76 69  1  0
 98 80  1  0
 92 85  1  0
M  END
$$$$
