COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      12.852  -2.607  -0.627  1.00  0.00           O  
HETATM    2  C   UNL     1      13.466  -1.833   0.096  1.00  0.00           C  
HETATM    3  C   UNL     1      14.968  -1.837   0.243  1.00  0.00           C  
HETATM    4  C   UNL     1      15.641  -2.866  -0.661  1.00  0.00           C  
HETATM    5  C   UNL     1      17.164  -2.882  -0.497  1.00  0.00           C  
HETATM    6  C   UNL     1      17.812  -3.901  -1.437  1.00  0.00           C  
HETATM    7  C   UNL     1      19.330  -3.943  -1.245  1.00  0.00           C  
HETATM    8  C   UNL     1      20.023  -5.010  -2.097  1.00  0.00           C  
HETATM    9  C   UNL     1      21.551  -5.059  -1.994  1.00  0.00           C  
HETATM   10  C   UNL     1      22.190  -6.107  -2.909  1.00  0.00           C  
HETATM   11  C   UNL     1      23.714  -6.115  -2.757  1.00  0.00           C  
HETATM   12  C   UNL     1      24.412  -7.123  -3.675  1.00  0.00           C  
HETATM   13  C   UNL     1      25.926  -7.183  -3.471  1.00  0.00           C  
HETATM   14  C   UNL     1      26.573  -8.187  -4.413  1.00  0.00           C  
HETATM   15  O   UNL     1      12.915  -0.857   0.878  1.00  0.00           O  
HETATM   16  C   UNL     1      11.496  -0.753   0.828  1.00  0.00           C  
HETATM   17  C   UNL     1      11.050   0.375   1.750  1.00  0.00           C  
HETATM   18  C   UNL     1       9.537   0.556   1.717  1.00  0.00           C  
HETATM   19  O   UNL     1       9.116   0.874   0.395  1.00  0.00           O  
HETATM   20  O   UNL     1      11.667   1.585   1.298  1.00  0.00           O  
HETATM   21  C   UNL     1      11.388   2.699   2.037  1.00  0.00           C  
HETATM   22  O   UNL     1      11.139   2.722   3.235  1.00  0.00           O  
HETATM   23  C   UNL     1      11.446   3.912   1.135  1.00  0.00           C  
HETATM   24  C   UNL     1      10.480   5.006   1.587  1.00  0.00           C  
HETATM   25  C   UNL     1      10.455   6.220   0.655  1.00  0.00           C  
HETATM   26  C   UNL     1       9.435   7.283   1.068  1.00  0.00           C  
HETATM   27  C   UNL     1       9.436   8.461   0.091  1.00  0.00           C  
HETATM   28  C   UNL     1       8.440   9.541   0.521  1.00  0.00           C  
HETATM   29  C   UNL     1       8.415  10.700  -0.478  1.00  0.00           C  
HETATM   30  C   UNL     1       7.443  11.818  -0.090  1.00  0.00           C  
HETATM   31  C   UNL     1       7.437  12.989  -1.076  1.00  0.00           C  
HETATM   32  C   UNL     1       6.458  14.079  -0.632  1.00  0.00           C  
HETATM   33  C   UNL     1       6.432  15.292  -1.567  1.00  0.00           C  
HETATM   34  C   UNL     1       5.471  16.393  -1.111  1.00  0.00           C  
HETATM   35  C   UNL     1       5.431  17.545  -2.117  1.00  0.00           C  
HETATM   36  C   UNL     1       4.443  18.629  -1.683  1.00  0.00           C  
HETATM   37  C   UNL     1       4.379  19.764  -2.705  1.00  0.00           C  
HETATM   38  C   UNL     1       3.373  20.827  -2.293  1.00  0.00           C  
HETATM   39  O   UNL     1       7.211   2.440   0.992  1.00  0.00           O  
HETATM   40  P   UNL     1       7.539   1.110   0.129  1.00  0.00           P  
HETATM   41  O   UNL     1       6.655  -0.061   0.448  1.00  0.00           O  
HETATM   42  O   UNL     1       7.495   1.604  -1.412  1.00  0.00           O  
HETATM   43  C   UNL     1       8.289   2.702  -1.828  1.00  0.00           C  
HETATM   44  C   UNL     1       8.065   2.959  -3.305  1.00  0.00           C  
HETATM   45  N   UNL     1       8.927   4.086  -3.743  1.00  0.00           N1+
HETATM   46  C   UNL     1      10.407   3.771  -3.486  1.00  0.00           C  
HETATM   47  C   UNL     1       8.750   4.355  -5.243  1.00  0.00           C  
HETATM   48  C   UNL     1       8.573   5.371  -2.982  1.00  0.00           C  
HETATM   49  H   UNL     1      15.214  -2.025   1.294  1.00  0.00           H  
HETATM   50  H   UNL     1      15.334  -0.829   0.015  1.00  0.00           H  
HETATM   51  H   UNL     1      15.395  -2.627  -1.703  1.00  0.00           H  
HETATM   52  H   UNL     1      15.240  -3.866  -0.459  1.00  0.00           H  
HETATM   53  H   UNL     1      17.425  -3.127   0.540  1.00  0.00           H  
HETATM   54  H   UNL     1      17.566  -1.883  -0.705  1.00  0.00           H  
HETATM   55  H   UNL     1      17.572  -3.636  -2.472  1.00  0.00           H  
HETATM   56  H   UNL     1      17.390  -4.896  -1.247  1.00  0.00           H  
HETATM   57  H   UNL     1      19.759  -2.956  -1.456  1.00  0.00           H  
HETATM   58  H   UNL     1      19.552  -4.155  -0.192  1.00  0.00           H  
HETATM   59  H   UNL     1      19.618  -5.991  -1.818  1.00  0.00           H  
HETATM   60  H   UNL     1      19.753  -4.855  -3.149  1.00  0.00           H  
HETATM   61  H   UNL     1      21.939  -4.068  -2.259  1.00  0.00           H  
HETATM   62  H   UNL     1      21.852  -5.238  -0.956  1.00  0.00           H  
HETATM   63  H   UNL     1      21.802  -7.102  -2.668  1.00  0.00           H  
HETATM   64  H   UNL     1      21.918  -5.890  -3.948  1.00  0.00           H  
HETATM   65  H   UNL     1      24.111  -5.110  -2.945  1.00  0.00           H  
HETATM   66  H   UNL     1      23.968  -6.366  -1.719  1.00  0.00           H  
HETATM   67  H   UNL     1      23.985  -8.114  -3.480  1.00  0.00           H  
HETATM   68  H   UNL     1      24.188  -6.883  -4.721  1.00  0.00           H  
HETATM   69  H   UNL     1      26.152  -7.465  -2.436  1.00  0.00           H  
HETATM   70  H   UNL     1      26.374  -6.199  -3.647  1.00  0.00           H  
HETATM   71  H   UNL     1      26.180  -9.195  -4.243  1.00  0.00           H  
HETATM   72  H   UNL     1      27.656  -8.213  -4.254  1.00  0.00           H  
HETATM   73  H   UNL     1      26.389  -7.918  -5.459  1.00  0.00           H  
HETATM   74  H   UNL     1      11.209  -0.553  -0.210  1.00  0.00           H  
HETATM   75  H   UNL     1      11.074  -1.711   1.146  1.00  0.00           H  
HETATM   76  H   UNL     1      11.406   0.201   2.771  1.00  0.00           H  
HETATM   77  H   UNL     1       9.214   1.366   2.379  1.00  0.00           H  
HETATM   78  H   UNL     1       9.023  -0.365   2.009  1.00  0.00           H  
HETATM   79  H   UNL     1      12.476   4.284   1.146  1.00  0.00           H  
HETATM   80  H   UNL     1      11.189   3.593   0.119  1.00  0.00           H  
HETATM   81  H   UNL     1      10.732   5.327   2.606  1.00  0.00           H  
HETATM   82  H   UNL     1       9.464   4.592   1.638  1.00  0.00           H  
HETATM   83  H   UNL     1      11.456   6.666   0.606  1.00  0.00           H  
HETATM   84  H   UNL     1      10.216   5.868  -0.357  1.00  0.00           H  
HETATM   85  H   UNL     1       9.665   7.652   2.074  1.00  0.00           H  
HETATM   86  H   UNL     1       8.434   6.837   1.105  1.00  0.00           H  
HETATM   87  H   UNL     1       9.180   8.104  -0.914  1.00  0.00           H  
HETATM   88  H   UNL     1      10.443   8.891   0.036  1.00  0.00           H  
HETATM   89  H   UNL     1       8.718   9.907   1.515  1.00  0.00           H  
HETATM   90  H   UNL     1       7.438   9.104   0.603  1.00  0.00           H  
HETATM   91  H   UNL     1       8.119  10.317  -1.462  1.00  0.00           H  
HETATM   92  H   UNL     1       9.425  11.114  -0.590  1.00  0.00           H  
HETATM   93  H   UNL     1       6.434  11.389  -0.037  1.00  0.00           H  
HETATM   94  H   UNL     1       7.683  12.182   0.916  1.00  0.00           H  
HETATM   95  H   UNL     1       7.158  12.629  -2.073  1.00  0.00           H  
HETATM   96  H   UNL     1       8.444  13.410  -1.149  1.00  0.00           H  
HETATM   97  H   UNL     1       5.446  13.657  -0.594  1.00  0.00           H  
HETATM   98  H   UNL     1       6.702  14.405   0.386  1.00  0.00           H  
HETATM   99  H   UNL     1       7.445  15.701  -1.667  1.00  0.00           H  
HETATM  100  H   UNL     1       6.132  14.947  -2.565  1.00  0.00           H  
HETATM  101  H   UNL     1       5.782  16.782  -0.135  1.00  0.00           H  
HETATM  102  H   UNL     1       4.464  15.975  -0.991  1.00  0.00           H  
HETATM  103  H   UNL     1       6.433  17.980  -2.218  1.00  0.00           H  
HETATM  104  H   UNL     1       5.144  17.162  -3.104  1.00  0.00           H  
HETATM  105  H   UNL     1       4.743  19.030  -0.707  1.00  0.00           H  
HETATM  106  H   UNL     1       3.446  18.189  -1.559  1.00  0.00           H  
HETATM  107  H   UNL     1       5.367  20.226  -2.811  1.00  0.00           H  
HETATM  108  H   UNL     1       4.099  19.366  -3.687  1.00  0.00           H  
HETATM  109  H   UNL     1       2.367  20.404  -2.208  1.00  0.00           H  
HETATM  110  H   UNL     1       3.342  21.628  -3.038  1.00  0.00           H  
HETATM  111  H   UNL     1       3.642  21.270  -1.329  1.00  0.00           H  
HETATM  112  H   UNL     1       7.070   2.353   1.959  1.00  0.00           H  
HETATM  113  H   UNL     1       9.338   2.447  -1.650  1.00  0.00           H  
HETATM  114  H   UNL     1       8.032   3.577  -1.222  1.00  0.00           H  
HETATM  115  H   UNL     1       7.035   3.258  -3.520  1.00  0.00           H  
HETATM  116  H   UNL     1       8.345   2.095  -3.913  1.00  0.00           H  
HETATM  117  H   UNL     1      10.949   3.928  -4.420  1.00  0.00           H  
HETATM  118  H   UNL     1      10.762   4.448  -2.707  1.00  0.00           H  
HETATM  119  H   UNL     1      10.475   2.730  -3.163  1.00  0.00           H  
HETATM  120  H   UNL     1       8.626   5.432  -5.377  1.00  0.00           H  
HETATM  121  H   UNL     1       9.645   3.997  -5.755  1.00  0.00           H  
HETATM  122  H   UNL     1       7.863   3.814  -5.578  1.00  0.00           H  
HETATM  123  H   UNL     1       9.066   6.204  -3.486  1.00  0.00           H  
HETATM  124  H   UNL     1       7.487   5.484  -3.005  1.00  0.00           H  
HETATM  125  H   UNL     1       8.935   5.262  -1.958  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   15                                       
CONECT    3    2    4   49   50                                       
CONECT    4    3    5   51   52                                       
CONECT    5    4    6   53   54                                       
CONECT    6    5    7   55   56                                       
CONECT    7    6    8   57   58                                       
CONECT    8    7    9   59   60                                       
CONECT    9    8   10   61   62                                       
CONECT   10    9   11   63   64                                       
CONECT   11   10   12   65   66                                       
CONECT   12   11   13   67   68                                       
CONECT   13   12   14   69   70                                       
CONECT   14   13   71   72   73                                       
CONECT   15    2   16                                                 
CONECT   16   15   17   74   75                                       
CONECT   17   16   18   20   76                                       
CONECT   18   17   19   77   78                                       
CONECT   19   18   40                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   79   80                                       
CONECT   24   23   25   81   82                                       
CONECT   25   24   26   83   84                                       
CONECT   26   25   27   85   86                                       
CONECT   27   26   28   87   88                                       
CONECT   28   27   29   89   90                                       
CONECT   29   28   30   91   92                                       
CONECT   30   29   31   93   94                                       
CONECT   31   30   32   95   96                                       
CONECT   32   31   33   97   98                                       
CONECT   33   32   34   99  100                                       
CONECT   34   33   35  101  102                                       
CONECT   35   34   36  103  104                                       
CONECT   36   35   37  105  106                                       
CONECT   37   36   38  107  108                                       
CONECT   38   37  109  110  111                                       
CONECT   39   40  112                                                 
CONECT   40   19   39   41   41                                       
CONECT   40   42                                                      
CONECT   41   40   40                                                 
CONECT   42   40   43                                                 
CONECT   43   42   44  113  114                                       
CONECT   44   43   45  115  116                                       
CONECT   45   44   46   47   48                                       
CONECT   46   45  117  118  119                                       
CONECT   47   45  120  121  122                                       
CONECT   48   45  123  124  125                                       
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   16                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   29                                                      
CONECT   92   29                                                      
CONECT   93   30                                                      
CONECT   94   30                                                      
CONECT   95   31                                                      
CONECT   96   31                                                      
CONECT   97   32                                                      
CONECT   98   32                                                      
CONECT   99   33                                                      
CONECT  100   33                                                      
CONECT  101   34                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   35                                                      
CONECT  105   36                                                      
CONECT  106   36                                                      
CONECT  107   37                                                      
CONECT  108   37                                                      
CONECT  109   38                                                      
CONECT  110   38                                                      
CONECT  111   38                                                      
CONECT  112   39                                                      
CONECT  113   43                                                      
CONECT  114   43                                                      
CONECT  115   44                                                      
CONECT  116   44                                                      
CONECT  117   46                                                      
CONECT  118   46                                                      
CONECT  119   46                                                      
CONECT  120   47                                                      
CONECT  121   47                                                      
CONECT  122   47                                                      
CONECT  123   48                                                      
CONECT  124   48                                                      
CONECT  125   48                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
