
     RDKit          2D

112117  0  0  0  0  0  0  0  0999 V2000
   16.3864    3.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8936    2.9514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8975    4.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5231    3.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292    4.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2393    5.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5435    6.4721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9454    6.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5710    5.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5749    7.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0821    6.8638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    8.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8281    9.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7159    7.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9571    6.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4920    6.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705    5.9684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0529    6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3548    7.9110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1744    5.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0278    3.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4022    3.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7240    1.8869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1537    1.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2616    2.4443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4756   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3677   -1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9380   -0.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8301   -1.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004   -1.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074   -2.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9053   -0.4858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0132    0.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6913    1.9905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4429    0.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7647   -1.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6568   -2.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9786   -3.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8708   -4.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1926   -6.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0847   -7.3573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6223   -6.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5507    1.0829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2289    2.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7992    3.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3368    3.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1698    5.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5360    5.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8379    7.1386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5472    4.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8061    3.2573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4255    1.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5521    0.6716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9183    1.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7917    2.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1723    4.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0457    5.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4263    6.9157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5385    5.4029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5377    0.3783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6643   -0.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1715   -0.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2837   -2.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4103   -3.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0297   -4.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1563   -6.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7757   -7.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9022   -8.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4094   -8.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7900   -7.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6634   -5.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5360   -9.6709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1554  -11.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2820  -12.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9014  -13.6226    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.0432   -9.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1698  -10.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6770  -10.5971    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3983    4.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6395    5.7674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2403    7.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3453    8.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7198    9.0581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0416   10.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3337    8.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7988    7.9825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9203    8.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6697    1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1348    1.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7356    0.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2263    0.1161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8457   -0.9245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4464   -2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5565   -3.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1573   -4.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2674   -6.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8682   -7.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9783   -8.6703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9371   -2.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8270   -1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5379   -3.8402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0286   -4.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6294   -5.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1201   -5.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7208   -6.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2115   -7.0899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8123   -8.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3030   -8.6312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9224   -9.6718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9185   -2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4092   -2.9666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3177   -1.4252    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  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  6
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 26 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  6
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 40 42  1  0
 35 43  1  0
 43 44  1  0
 44 45  2  0
 46 44  1  1
 46 47  1  0
 47 48  1  0
 48 49  1  6
 48 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  2  0
 52 54  1  0
 54 55  1  1
 55 56  1  0
 56 57  1  0
 57 58  1  0
 57 59  2  0
 54 60  1  0
 60 61  1  0
 61 62  2  0
 61 63  1  0
 63 64  1  0
 64 65  1  0
 65 66  1  0
 66 67  2  0
 67 68  1  0
 68 69  2  0
 69 70  1  0
 70 71  2  0
 69 72  1  0
 72 73  1  0
 73 74  1  0
 74 75  1  0
 72 76  1  0
 76 77  1  0
 77 78  1  0
 22 79  2  0
 79 80  1  0
 80 81  1  0
 16 82  2  0
 82 83  1  0
 83 84  1  0
 10 85  2  0
 85 86  1  0
 86 87  1  0
  4 88  1  0
 88 89  2  0
 89 90  1  0
 90 91  2  0
 90 92  1  0
 92 93  1  0
 93 94  1  6
 94 95  1  0
 95 96  1  0
 96 97  1  0
 97 98  1  0
 93 99  1  0
 99100  2  0
 99101  1  0
101102  1  0
102103  1  6
103104  1  0
104105  1  0
105106  1  0
106107  2  0
107108  1  0
107109  1  0
102110  1  0
110111  1  0
110112  2  0
 89  2  1  0
 86  8  1  0
 83 14  1  0
 80 20  1  0
 51 46  1  0
 71 66  1  0
M  END
$$$$
