COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.997  -0.295  -0.224  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.175  -0.333  -1.009  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.295   0.307  -0.584  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.468   0.269  -1.365  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.587   0.908  -0.941  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.803   0.869  -1.751  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.904   1.498  -1.333  1.00  0.00           C  
HETATM    8  C   UNL     1     -13.158   1.458  -2.168  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.989   0.311   0.832  1.00  0.00           O  
HETATM   10  N   UNL     1      -3.887  -0.934  -0.643  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.669  -0.895   0.169  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.468  -1.111  -0.716  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.616  -1.281  -1.908  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.726  -1.997   1.228  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.853  -1.714   2.187  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.118  -2.212   1.934  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.622  -0.962   3.323  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.152  -1.952   2.813  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.656  -0.702   4.203  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.922  -1.195   3.947  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.230  -1.115  -0.184  1.00  0.00           N  
HETATM   22  C   UNL     1       0.937  -1.325  -1.044  1.00  0.00           C  
HETATM   23  C   UNL     1       2.067  -1.888  -0.222  1.00  0.00           C  
HETATM   24  O   UNL     1       2.449  -1.293   0.765  1.00  0.00           O  
HETATM   25  C   UNL     1       1.357   0.011  -1.661  1.00  0.00           C  
HETATM   26  O   UNL     1       1.282   1.058  -0.660  1.00  0.00           O  
HETATM   27  N   UNL     1       2.652  -3.052  -0.571  1.00  0.00           N  
HETATM   28  C   UNL     1       3.736  -3.712   0.160  1.00  0.00           C  
HETATM   29  C   UNL     1       4.815  -2.742   0.537  1.00  0.00           C  
HETATM   30  O   UNL     1       5.120  -2.632   1.718  1.00  0.00           O  
HETATM   31  C   UNL     1       4.276  -4.863  -0.692  1.00  0.00           C  
HETATM   32  C   UNL     1       3.304  -5.002  -1.874  1.00  0.00           C  
HETATM   33  C   UNL     1       2.288  -3.862  -1.736  1.00  0.00           C  
HETATM   34  N   UNL     1       5.465  -1.979  -0.381  1.00  0.00           N  
HETATM   35  C   UNL     1       5.241  -2.070  -1.826  1.00  0.00           C  
HETATM   36  C   UNL     1       6.453  -1.018   0.171  1.00  0.00           C  
HETATM   37  C   UNL     1       7.710  -1.026  -0.704  1.00  0.00           C  
HETATM   38  C   UNL     1       5.839   0.357   0.162  1.00  0.00           C  
HETATM   39  O   UNL     1       5.194   0.706  -0.804  1.00  0.00           O  
HETATM   40  N   UNL     1       6.007   1.182   1.234  1.00  0.00           N  
HETATM   41  C   UNL     1       5.487   2.567   1.070  1.00  0.00           C  
HETATM   42  C   UNL     1       4.018   2.465   0.785  1.00  0.00           C  
HETATM   43  O   UNL     1       3.496   1.362   0.829  1.00  0.00           O  
HETATM   44  C   UNL     1       6.236   3.273  -0.062  1.00  0.00           C  
HETATM   45  C   UNL     1       1.771   2.264  -0.987  1.00  0.00           C  
HETATM   46  N   UNL     1       3.218   3.510   0.517  1.00  0.00           N  
HETATM   47  O   UNL     1       2.175   2.468  -2.107  1.00  0.00           O  
HETATM   48  C   UNL     1       1.832   3.359   0.047  1.00  0.00           C  
HETATM   49  C   UNL     1       1.400   4.695  -0.568  1.00  0.00           C  
HETATM   50  C   UNL     1       3.513   4.932   0.657  1.00  0.00           C  
HETATM   51  C   UNL     1       1.745   6.697   0.915  1.00  0.00           C  
HETATM   52  C   UNL     1       2.417   5.731  -0.061  1.00  0.00           C  
HETATM   53  H   UNL     1      -6.183  -0.870  -1.946  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.288   0.844   0.353  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.476  -0.268  -2.302  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.579   1.445  -0.004  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.811   0.332  -2.688  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.896   2.035  -0.396  1.00  0.00           H  
HETATM   59  H   UNL     1     -13.945   2.023  -1.669  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.958   1.898  -3.145  1.00  0.00           H  
HETATM   61  H   UNL     1     -13.477   0.423  -2.295  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.896  -1.420  -1.483  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.589   0.075   0.658  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.895  -2.959   0.743  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.783  -2.026   1.774  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.298  -2.803   1.048  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.633  -0.577   3.524  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.140  -2.340   2.615  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.475  -0.115   5.091  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.730  -0.992   4.634  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.112  -0.979   0.770  1.00  0.00           H  
HETATM   72  H   UNL     1       0.679  -2.025  -1.838  1.00  0.00           H  
HETATM   73  H   UNL     1       2.381  -0.067  -2.030  1.00  0.00           H  
HETATM   74  H   UNL     1       0.690   0.251  -2.489  1.00  0.00           H  
HETATM   75  H   UNL     1       3.314  -4.141   1.084  1.00  0.00           H  
HETATM   76  H   UNL     1       5.282  -4.654  -1.046  1.00  0.00           H  
HETATM   77  H   UNL     1       4.285  -5.788  -0.109  1.00  0.00           H  
HETATM   78  H   UNL     1       3.841  -4.918  -2.818  1.00  0.00           H  
HETATM   79  H   UNL     1       2.792  -5.964  -1.821  1.00  0.00           H  
HETATM   80  H   UNL     1       1.288  -4.275  -1.597  1.00  0.00           H  
HETATM   81  H   UNL     1       2.304  -3.242  -2.632  1.00  0.00           H  
HETATM   82  H   UNL     1       4.487  -2.830  -2.030  1.00  0.00           H  
HETATM   83  H   UNL     1       4.896  -1.106  -2.202  1.00  0.00           H  
HETATM   84  H   UNL     1       6.173  -2.341  -2.322  1.00  0.00           H  
HETATM   85  H   UNL     1       6.714  -1.297   1.190  1.00  0.00           H  
HETATM   86  H   UNL     1       7.447  -0.734  -1.721  1.00  0.00           H  
HETATM   87  H   UNL     1       8.437  -0.321  -0.301  1.00  0.00           H  
HETATM   88  H   UNL     1       8.141  -2.027  -0.712  1.00  0.00           H  
HETATM   89  H   UNL     1       6.441   0.886   2.058  1.00  0.00           H  
HETATM   90  H   UNL     1       5.642   3.123   2.003  1.00  0.00           H  
HETATM   91  H   UNL     1       6.093   2.722  -0.991  1.00  0.00           H  
HETATM   92  H   UNL     1       5.850   4.286  -0.176  1.00  0.00           H  
HETATM   93  H   UNL     1       7.299   3.313   0.176  1.00  0.00           H  
HETATM   94  H   UNL     1       1.191   3.110   0.891  1.00  0.00           H  
HETATM   95  H   UNL     1       1.428   4.641  -1.656  1.00  0.00           H  
HETATM   96  H   UNL     1       0.397   4.958  -0.232  1.00  0.00           H  
HETATM   97  H   UNL     1       3.523   5.204   1.715  1.00  0.00           H  
HETATM   98  H   UNL     1       4.475   5.177   0.212  1.00  0.00           H  
HETATM   99  H   UNL     1       1.350   6.140   1.765  1.00  0.00           H  
HETATM  100  H   UNL     1       2.476   7.425   1.267  1.00  0.00           H  
HETATM  101  H   UNL     1       0.930   7.215   0.410  1.00  0.00           H  
HETATM  102  H   UNL     1       2.843   6.280  -0.900  1.00  0.00           H  
CONECT    1    2    9    9   10                                       
CONECT    2    1    3    3   53                                       
CONECT    3    2    2    4   54                                       
CONECT    4    3    5    5   55                                       
CONECT    5    4    4    6   56                                       
CONECT    6    5    7    7   57                                       
CONECT    7    6    6    8   58                                       
CONECT    8    7   59   60   61                                       
CONECT    9    1    1                                                 
CONECT   10   11   62    1                                            
CONECT   11   10   12   14   63                                       
CONECT   12   11   13   13   21                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   64   65                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15   18   66                                       
CONECT   17   15   19   19   67                                       
CONECT   18   16   20   20   68                                       
CONECT   19   17   17   20   69                                       
CONECT   20   18   18   19   70                                       
CONECT   21   22   71   12                                            
CONECT   22   21   23   25   72                                       
CONECT   23   22   24   24   27                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   73   74                                       
CONECT   26   25   45                                                 
CONECT   27   28   33   23                                            
CONECT   28   27   29   31   75                                       
CONECT   29   28   30   30   34                                       
CONECT   30   29   29                                                 
CONECT   31   28   32   76   77                                       
CONECT   32   31   33   78   79                                       
CONECT   33   27   32   80   81                                       
CONECT   34   35   36   29                                            
CONECT   35   34   82   83   84                                       
CONECT   36   34   37   38   85                                       
CONECT   37   36   86   87   88                                       
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   41   89   38                                            
CONECT   41   40   42   44   90                                       
CONECT   42   41   43   43   46                                       
CONECT   43   42   42                                                 
CONECT   44   41   91   92   93                                       
CONECT   45   47   47   48   26                                       
CONECT   46   48   50   42                                            
CONECT   47   45   45                                                 
CONECT   48   45   46   49   94                                       
CONECT   49   48   52   95   96                                       
CONECT   50   46   52   97   98                                       
CONECT   51   52   99  100  101                                       
CONECT   52   49   50   51  102                                       
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   28                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   49                                                      
CONECT   97   50                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   51                                                      
CONECT  101   51                                                      
CONECT  102   52                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
