COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -6.469  -3.123   0.253  1.00  0.00           P  
HETATM    2  P   UNL     1      -0.815  -0.135   1.515  1.00  0.00           P  
HETATM    3  P   UNL     1       4.598  -3.514   0.892  1.00  0.00           P  
HETATM    4  C   UNL     1      -8.008  -4.750  -1.204  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.827   2.588   0.679  1.00  0.00           N  
HETATM    6  C   UNL     1       4.428   1.234  -0.757  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.675   7.727  -1.946  1.00  0.00           N  
HETATM    8  N   UNL     1       8.213   4.745  -1.468  1.00  0.00           N  
HETATM    9  O   UNL     1      -5.415  -4.146   0.432  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.222  -1.681   1.698  1.00  0.00           O  
HETATM   11  O   UNL     1       3.699  -3.486   2.068  1.00  0.00           O  
HETATM   12  C   UNL     1      -8.763  -4.764  -2.535  1.00  0.00           C  
HETATM   13  C   UNL     1       4.274  -9.772  -0.606  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.626   2.336   1.505  1.00  0.00           C  
HETATM   15  C   UNL     1       5.189  -0.075  -0.474  1.00  0.00           C  
HETATM   16  O   UNL     1       5.539  -0.725  -1.698  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.364   6.630  -2.205  1.00  0.00           C  
HETATM   18  C   UNL     1       7.788   3.757  -2.305  1.00  0.00           C  
HETATM   19  N   UNL     1       8.400   3.607  -3.524  1.00  0.00           N  
HETATM   20  O   UNL     1      -7.410  -3.088   1.559  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.560   0.469   2.842  1.00  0.00           O  
HETATM   22  O   UNL     1       6.124  -3.359   1.381  1.00  0.00           O  
HETATM   23  C   UNL     1      -9.459  -6.115  -2.712  1.00  0.00           C  
HETATM   24  C   UNL     1       4.508  -8.656   0.415  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.301   0.836   1.385  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.015   0.654   0.788  1.00  0.00           O  
HETATM   27  C   UNL     1       4.181  -0.935   0.327  1.00  0.00           C  
HETATM   28  O   UNL     1       4.225  -2.299  -0.097  1.00  0.00           O  
HETATM   29  O   UNL     1      -7.358  -3.489  -1.039  1.00  0.00           O  
HETATM   30  N   UNL     1      -5.538   5.681  -1.311  1.00  0.00           N  
HETATM   31  N   UNL     1       6.810   2.943  -1.977  1.00  0.00           N  
HETATM   32  C   UNL     1       4.343  -7.297  -0.268  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.404   0.256   0.470  1.00  0.00           C  
HETATM   34  C   UNL     1       2.827  -0.282  -0.049  1.00  0.00           C  
HETATM   35  O   UNL     1       3.141   1.125  -0.125  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.015   5.799  -0.088  1.00  0.00           C  
HETATM   37  C   UNL     1       6.185   3.051  -0.799  1.00  0.00           C  
HETATM   38  O   UNL     1     -10.164  -6.128  -3.955  1.00  0.00           O  
HETATM   39  C   UNL     1       4.576  -6.182   0.753  1.00  0.00           C  
HETATM   40  O   UNL     1       4.422  -4.912   0.115  1.00  0.00           O  
HETATM   41  C   UNL     1      -4.854  -1.118   0.970  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.787  -1.680   0.044  1.00  0.00           O  
HETATM   43  C   UNL     1       1.783  -0.543   1.038  1.00  0.00           C  
HETATM   44  O   UNL     1       0.517  -0.033   0.615  1.00  0.00           O  
HETATM   45  C   UNL     1      -4.273   6.950   0.232  1.00  0.00           C  
HETATM   46  C   UNL     1       6.576   4.046   0.104  1.00  0.00           C  
HETATM   47  O   UNL     1       4.429 -11.041   0.032  1.00  0.00           O  
HETATM   48  C   UNL     1      -5.672   3.628   1.280  1.00  0.00           C  
HETATM   49  C   UNL     1       6.826  -0.361  -2.202  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.117   7.929  -0.756  1.00  0.00           C  
HETATM   51  N   UNL     1      -3.397   9.085  -0.499  1.00  0.00           N  
HETATM   52  C   UNL     1       7.630   4.916  -0.261  1.00  0.00           C  
HETATM   53  O   UNL     1       8.006   5.793   0.497  1.00  0.00           O  
HETATM   54  C   UNL     1      -5.548   1.291   0.608  1.00  0.00           C  
HETATM   55  N   UNL     1      -3.855   6.819   1.535  1.00  0.00           N  
HETATM   56  N   UNL     1       5.786   3.927   1.200  1.00  0.00           N  
HETATM   57  C   UNL     1      -4.300   5.635   2.046  1.00  0.00           C  
HETATM   58  C   UNL     1       4.955   2.942   1.026  1.00  0.00           C  
HETATM   59  C   UNL     1      -5.009   4.972   1.114  1.00  0.00           C  
HETATM   60  N   UNL     1       5.163   2.369  -0.195  1.00  0.00           N  
HETATM   61  H   UNL     1      -8.711  -4.907  -0.386  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.263  -5.546  -1.201  1.00  0.00           H  
HETATM   63  H   UNL     1       4.306   1.367  -1.832  1.00  0.00           H  
HETATM   64  H   UNL     1       8.941   5.327  -1.738  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.403  -2.141   0.867  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.507  -3.969  -2.539  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.060  -4.608  -3.353  1.00  0.00           H  
HETATM   68  H   UNL     1       3.265  -9.689  -1.010  1.00  0.00           H  
HETATM   69  H   UNL     1       4.998  -9.681  -1.415  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.790   2.929   1.135  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.832   2.589   2.545  1.00  0.00           H  
HETATM   72  H   UNL     1       6.080   0.122   0.122  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.799   6.508  -3.185  1.00  0.00           H  
HETATM   74  H   UNL     1       9.123   4.201  -3.780  1.00  0.00           H  
HETATM   75  H   UNL     1       8.108   2.909  -4.130  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.125  -2.438   1.511  1.00  0.00           H  
HETATM   77  H   UNL     1       6.770  -3.369   0.661  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.714  -6.911  -2.709  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.162  -6.272  -1.894  1.00  0.00           H  
HETATM   80  H   UNL     1       3.784  -8.747   1.224  1.00  0.00           H  
HETATM   81  H   UNL     1       5.517  -8.740   0.819  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.332   0.362   2.366  1.00  0.00           H  
HETATM   83  H   UNL     1       4.368  -0.857   1.398  1.00  0.00           H  
HETATM   84  H   UNL     1       5.067  -7.207  -1.077  1.00  0.00           H  
HETATM   85  H   UNL     1       3.334  -7.214  -0.672  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.057   0.195  -0.562  1.00  0.00           H  
HETATM   87  H   UNL     1       2.477  -0.653  -1.013  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.630  -6.956  -4.134  1.00  0.00           H  
HETATM   89  H   UNL     1       3.852  -6.273   1.562  1.00  0.00           H  
HETATM   90  H   UNL     1       5.585  -6.265   1.157  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.989  -1.775   1.057  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.329  -1.012   1.945  1.00  0.00           H  
HETATM   93  H   UNL     1       1.702  -1.616   1.214  1.00  0.00           H  
HETATM   94  H   UNL     1       2.086  -0.046   1.960  1.00  0.00           H  
HETATM   95  H   UNL     1       4.294 -11.796  -0.557  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.643   3.639   0.786  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.806   3.418   2.341  1.00  0.00           H  
HETATM   98  H   UNL     1       7.016  -0.896  -3.132  1.00  0.00           H  
HETATM   99  H   UNL     1       6.853   0.712  -2.388  1.00  0.00           H  
HETATM  100  H   UNL     1       7.590  -0.622  -1.469  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.295   9.757  -1.191  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.995   9.222   0.373  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.117   1.117   1.521  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.201   1.262  -0.265  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.113   5.283   3.050  1.00  0.00           H  
HETATM  106  H   UNL     1       4.211   2.624   1.742  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.322   7.470   2.018  1.00  0.00           H  
CONECT    1    9    9   29   42                                       
CONECT    1   20                                                      
CONECT    2   44   26   21   21                                       
CONECT    2   10                                                      
CONECT    3   28   11   11   40                                       
CONECT    3   22                                                      
CONECT    4   29   12   61   62                                       
CONECT    5   48   14   54                                            
CONECT    6   15   60   35   63                                       
CONECT    7   17   17   50                                            
CONECT    8   18   52   64                                            
CONECT    9    1    1                                                 
CONECT   10    2   65                                                 
CONECT   11    3    3                                                 
CONECT   12    4   23   66   67                                       
CONECT   13   47   24   68   69                                       
CONECT   14    5   25   70   71                                       
CONECT   15    6   16   27   72                                       
CONECT   16   15   49                                                 
CONECT   17    7    7   30   73                                       
CONECT   18    8   19   31   31                                       
CONECT   19   18   74   75                                            
CONECT   20    1   76                                                 
CONECT   21    2    2                                                 
CONECT   22    3   77                                                 
CONECT   23   12   38   78   79                                       
CONECT   24   13   32   80   81                                       
CONECT   25   14   26   33   82                                       
CONECT   26    2   25                                                 
CONECT   27   15   28   34   83                                       
CONECT   28    3   27                                                 
CONECT   29    1    4                                                 
CONECT   30   17   36   36                                            
CONECT   31   18   18   37                                            
CONECT   32   24   39   84   85                                       
CONECT   33   25   54   41   86                                       
CONECT   34   27   35   43   87                                       
CONECT   35    6   34                                                 
CONECT   36   30   30   45   59                                       
CONECT   37   31   60   46   46                                       
CONECT   38   23   88                                                 
CONECT   39   32   40   89   90                                       
CONECT   40    3   39                                                 
CONECT   41   33   42   91   92                                       
CONECT   42    1   41                                                 
CONECT   43   34   44   93   94                                       
CONECT   44    2   43                                                 
CONECT   45   36   50   50   55                                       
CONECT   46   37   37   52   56                                       
CONECT   47   13   95                                                 
CONECT   48    5   59   96   97                                       
CONECT   49   16   98   99  100                                       
CONECT   50    7   45   45   51                                       
CONECT   51   50  101  102                                            
CONECT   52    8   46   53   53                                       
CONECT   53   52   52                                                 
CONECT   54    5   33  103  104                                       
CONECT   55   45   57  107                                            
CONECT   56   46   58   58                                            
CONECT   57   55   59   59  105                                       
CONECT   58   56   56   60  106                                       
CONECT   59   36   48   57   57                                       
CONECT   60    6   37   58                                            
CONECT   61    4                                                      
CONECT   62    4                                                      
CONECT   63    6                                                      
CONECT   64    8                                                      
CONECT   65   10                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   17                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   27                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   43                                                      
CONECT   94   43                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
CONECT   99   49                                                      
CONECT  100   49                                                      
CONECT  101   51                                                      
CONECT  102   51                                                      
CONECT  103   54                                                      
CONECT  104   54                                                      
CONECT  105   57                                                      
CONECT  106   58                                                      
CONECT  107   55                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
