
     RDKit          2D

 93100  0  0  0  0  0  0  0  0999 V2000
   -4.6251   13.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6214   12.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0849   10.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7859    9.8374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9042    8.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5339    9.2340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5923    7.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2824    7.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9042    5.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5339    5.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6797    5.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    5.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2635    6.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7054    6.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9211    4.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4174    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1067    7.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3202    8.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1635   10.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931   10.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3770   10.9795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2202   12.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4337   13.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4337   14.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8603   15.3165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3238   16.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7910   17.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2546   18.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7218   18.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1853   20.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6525   20.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1161   21.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5833   22.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0468   23.6969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5140   24.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9776   25.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9739   26.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4374   27.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9046   28.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3681   29.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3644   30.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8972   30.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4337   29.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9665   28.7795    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.8280   32.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8243   33.3711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2952   32.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7587   33.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7550   35.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2259   34.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2989   31.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8354   30.0269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8390   28.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2656   28.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1509   27.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5066   26.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0431   24.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7420   14.1030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8603   12.8894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7364    8.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796    9.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5229    7.4528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7859    4.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7822    3.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0849    3.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6214    2.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6251    1.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1615   -0.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1652   -1.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7017   -2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6325   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0960    0.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5632    0.6936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5669   -0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0267    2.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0923    1.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4292    2.2189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5767    3.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1597    3.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8725    2.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0033    4.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1180    5.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3315    4.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7281    6.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7281    7.9066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1953    8.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1180    9.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3315   10.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0033   10.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7533   11.5797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5767   10.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8725   12.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5409   11.8933    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  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 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  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 41 45  1  0
 45 46  2  0
 45 47  1  0
 47 48  1  0
 48 49  2  0
 48 50  1  0
 47 51  2  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 37 56  1  0
 56 57  1  0
 25 58  1  0
 58 59  2  0
 17 60  1  0
 60 61  1  0
 60 62  1  0
  9 63  1  0
 63 64  1  0
 63 65  1  0
 65 66  1  0
 66 67  1  0
 67 68  1  0
 68 69  1  0
 69 70  1  0
 69 71  1  0
 71 72  1  0
 72 73  1  0
 73 74  1  0
 73 75  1  0
 72 76  1  0
 76 77  1  0
 65 78  1  0
 78 79  1  0
 78 80  1  0
 78 81  1  0
 81 82  1  0
 82 83  1  0
 82 84  1  0
 84 85  1  0
 85 86  1  0
 85 87  1  0
 87 88  1  0
 87 89  1  0
 89 90  1  0
 89 91  1  0
 91 92  1  0
 91 93  1  0
 91  3  1  0
 62 11  1  0
 76 67  1  0
 59 23  1  0
 57 34  1  0
 43 38  1  0
 55 53  1  0
 52 40  1  0
M  END
