COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.881   3.118  -1.002  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.215   4.372  -0.840  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.129   2.037  -0.221  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.778   1.890  -0.767  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.882   0.709  -0.350  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.217  -0.306   0.448  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.317   0.897   0.153  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.049  -0.316  -0.030  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.984   2.022  -0.642  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.217   3.220  -0.505  1.00  0.00           O  
HETATM   11  C   UNL     1      -8.398   2.257  -0.106  1.00  0.00           C  
HETATM   12  O   UNL     1      -9.062   3.225  -0.921  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.788   2.700  -0.343  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.016   3.552   0.490  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.398   2.549  -0.904  1.00  0.00           C  
HETATM   16  C   UNL     1       0.527   3.584  -0.260  1.00  0.00           C  
HETATM   17  C   UNL     1       1.963   3.350  -0.736  1.00  0.00           C  
HETATM   18  C   UNL     1       2.906   4.303   0.002  1.00  0.00           C  
HETATM   19  C   UNL     1       4.341   4.069  -0.473  1.00  0.00           C  
HETATM   20  C   UNL     1       5.284   5.022   0.264  1.00  0.00           C  
HETATM   21  C   UNL     1       6.720   4.788  -0.211  1.00  0.00           C  
HETATM   22  C   UNL     1       7.662   5.741   0.527  1.00  0.00           C  
HETATM   23  C   UNL     1       9.098   5.508   0.051  1.00  0.00           C  
HETATM   24  C   UNL     1      10.041   6.460   0.789  1.00  0.00           C  
HETATM   25  C   UNL     1      11.476   6.227   0.314  1.00  0.00           C  
HETATM   26  C   UNL     1      12.419   7.179   1.051  1.00  0.00           C  
HETATM   27  C   UNL     1      13.855   6.946   0.576  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.259  -1.025  -0.156  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.525  -2.096   0.609  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.493  -2.760  -0.305  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.663  -3.759   0.503  1.00  0.00           C  
HETATM   32  C   UNL     1       0.449  -4.331  -0.379  1.00  0.00           C  
HETATM   33  C   UNL     1       1.278  -5.330   0.430  1.00  0.00           C  
HETATM   34  C   UNL     1       2.390  -5.902  -0.452  1.00  0.00           C  
HETATM   35  C   UNL     1       3.220  -6.901   0.356  1.00  0.00           C  
HETATM   36  C   UNL     1       4.331  -7.473  -0.526  1.00  0.00           C  
HETATM   37  C   UNL     1       5.161  -8.472   0.282  1.00  0.00           C  
HETATM   38  C   UNL     1       6.273  -9.044  -0.600  1.00  0.00           C  
HETATM   39  C   UNL     1       7.102 -10.043   0.209  1.00  0.00           C  
HETATM   40  C   UNL     1       8.214 -10.615  -0.674  1.00  0.00           C  
HETATM   41  C   UNL     1       9.044 -11.615   0.135  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.985  -0.815  -1.314  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.165  -3.445  -1.364  1.00  0.00           O  
HETATM   44  O   UNL     1       0.109   4.897  -0.637  1.00  0.00           O  
HETATM   45  P   UNL     1      -7.721  -1.127   1.189  1.00  0.00           P  
HETATM   46  O   UNL     1      -8.572  -2.364   0.606  1.00  0.00           O  
HETATM   47  O   UNL     1      -6.568  -1.681   2.165  1.00  0.00           O  
HETATM   48  O   UNL     1      -8.618  -0.225   1.946  1.00  0.00           O  
HETATM   49  H   UNL     1      -4.906   2.853  -2.059  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.639   5.105  -1.309  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.069   2.321   0.829  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.595   1.209  -1.433  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.899   0.399  -1.395  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.301   1.158   1.211  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.036   1.742  -1.695  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.955   1.320  -0.128  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.341   2.622   0.919  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.965   3.423  -0.639  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.027   1.547  -0.690  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.422   2.705  -1.983  1.00  0.00           H  
HETATM   61  H   UNL     1       0.484   3.485   0.824  1.00  0.00           H  
HETATM   62  H   UNL     1       2.251   2.320  -0.528  1.00  0.00           H  
HETATM   63  H   UNL     1       2.025   3.535  -1.808  1.00  0.00           H  
HETATM   64  H   UNL     1       2.617   5.333  -0.206  1.00  0.00           H  
HETATM   65  H   UNL     1       2.844   4.117   1.074  1.00  0.00           H  
HETATM   66  H   UNL     1       4.630   3.039  -0.265  1.00  0.00           H  
HETATM   67  H   UNL     1       4.404   4.254  -1.546  1.00  0.00           H  
HETATM   68  H   UNL     1       4.996   6.052   0.056  1.00  0.00           H  
HETATM   69  H   UNL     1       5.222   4.837   1.337  1.00  0.00           H  
HETATM   70  H   UNL     1       7.008   3.758  -0.003  1.00  0.00           H  
HETATM   71  H   UNL     1       6.782   4.974  -1.283  1.00  0.00           H  
HETATM   72  H   UNL     1       7.374   6.771   0.319  1.00  0.00           H  
HETATM   73  H   UNL     1       7.600   5.556   1.599  1.00  0.00           H  
HETATM   74  H   UNL     1       9.387   4.477   0.259  1.00  0.00           H  
HETATM   75  H   UNL     1       9.160   5.693  -1.021  1.00  0.00           H  
HETATM   76  H   UNL     1       9.752   7.490   0.581  1.00  0.00           H  
HETATM   77  H   UNL     1       9.979   6.275   1.861  1.00  0.00           H  
HETATM   78  H   UNL     1      11.765   5.196   0.522  1.00  0.00           H  
HETATM   79  H   UNL     1      11.538   6.412  -0.759  1.00  0.00           H  
HETATM   80  H   UNL     1      12.131   8.210   0.843  1.00  0.00           H  
HETATM   81  H   UNL     1      12.357   6.994   2.124  1.00  0.00           H  
HETATM   82  H   UNL     1      13.917   7.131  -0.496  1.00  0.00           H  
HETATM   83  H   UNL     1      14.526   7.624   1.102  1.00  0.00           H  
HETATM   84  H   UNL     1      14.143   5.915   0.784  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.018  -1.649   1.464  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.235  -2.845   0.959  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.836  -1.998  -0.725  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.221  -3.254   1.362  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.305  -4.569   0.849  1.00  0.00           H  
HETATM   90  H   UNL     1       0.007  -4.836  -1.238  1.00  0.00           H  
HETATM   91  H   UNL     1       1.091  -3.521  -0.724  1.00  0.00           H  
HETATM   92  H   UNL     1       1.720  -4.825   1.289  1.00  0.00           H  
HETATM   93  H   UNL     1       0.636  -6.140   0.775  1.00  0.00           H  
HETATM   94  H   UNL     1       1.948  -6.407  -1.311  1.00  0.00           H  
HETATM   95  H   UNL     1       3.032  -5.092  -0.798  1.00  0.00           H  
HETATM   96  H   UNL     1       3.661  -6.396   1.215  1.00  0.00           H  
HETATM   97  H   UNL     1       2.577  -7.711   0.702  1.00  0.00           H  
HETATM   98  H   UNL     1       3.890  -7.978  -1.385  1.00  0.00           H  
HETATM   99  H   UNL     1       4.974  -6.663  -0.872  1.00  0.00           H  
HETATM  100  H   UNL     1       5.602  -7.967   1.141  1.00  0.00           H  
HETATM  101  H   UNL     1       4.519  -9.282   0.628  1.00  0.00           H  
HETATM  102  H   UNL     1       5.831  -9.550  -1.459  1.00  0.00           H  
HETATM  103  H   UNL     1       6.915  -8.234  -0.945  1.00  0.00           H  
HETATM  104  H   UNL     1       7.544  -9.538   1.068  1.00  0.00           H  
HETATM  105  H   UNL     1       6.460 -10.854   0.554  1.00  0.00           H  
HETATM  106  H   UNL     1       7.772 -11.121  -1.533  1.00  0.00           H  
HETATM  107  H   UNL     1       8.856  -9.805  -1.019  1.00  0.00           H  
HETATM  108  H   UNL     1       9.835 -12.022  -0.493  1.00  0.00           H  
HETATM  109  H   UNL     1       9.485 -11.109   0.994  1.00  0.00           H  
HETATM  110  H   UNL     1       8.401 -12.425   0.481  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.768  -4.139  -1.063  1.00  0.00           H  
HETATM  112  H   UNL     1       0.123   5.056  -1.591  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.005  -2.897   1.286  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.942  -2.280   1.735  1.00  0.00           H  
CONECT    1    3   10    2   49                                       
CONECT    2    1   50                                                 
CONECT    3    1    5    4   51                                       
CONECT    4    3   13   52                                            
CONECT    5    3    6    7   53                                       
CONECT    6    5   28                                                 
CONECT    7    5    8    9   54                                       
CONECT    8    7   45                                                 
CONECT    9    7   11   10   55                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   56   57                                       
CONECT   12   11   58                                                 
CONECT   13    4   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   59   60                                       
CONECT   16   15   17   44   61                                       
CONECT   17   16   18   62   63                                       
CONECT   18   17   19   64   65                                       
CONECT   19   18   20   66   67                                       
CONECT   20   19   21   68   69                                       
CONECT   21   20   22   70   71                                       
CONECT   22   21   23   72   73                                       
CONECT   23   22   24   74   75                                       
CONECT   24   23   25   76   77                                       
CONECT   25   24   26   78   79                                       
CONECT   26   25   27   80   81                                       
CONECT   27   26   82   83   84                                       
CONECT   28    6   29   42   42                                       
CONECT   29   28   30   85   86                                       
CONECT   30   29   31   43   87                                       
CONECT   31   30   32   88   89                                       
CONECT   32   31   33   90   91                                       
CONECT   33   32   34   92   93                                       
CONECT   34   33   35   94   95                                       
CONECT   35   34   36   96   97                                       
CONECT   36   35   37   98   99                                       
CONECT   37   36   38  100  101                                       
CONECT   38   37   39  102  103                                       
CONECT   39   38   40  104  105                                       
CONECT   40   39   41  106  107                                       
CONECT   41   40  108  109  110                                       
CONECT   42   28   28                                                 
CONECT   43   30  111                                                 
CONECT   44   16  112                                                 
CONECT   45    8   48   48   47                                       
CONECT   45   46                                                      
CONECT   46   45  113                                                 
CONECT   47   45  114                                                 
CONECT   48   45   45                                                 
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   39                                                      
CONECT  105   39                                                      
CONECT  106   40                                                      
CONECT  107   40                                                      
CONECT  108   41                                                      
CONECT  109   41                                                      
CONECT  110   41                                                      
CONECT  111   43                                                      
CONECT  112   44                                                      
CONECT  113   46                                                      
CONECT  114   47                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
