COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       7.748   2.029  -2.123  1.00  0.00           C  
HETATM    2  C   UNL     1       7.478   4.809   1.321  1.00  0.00           C  
HETATM    3  C   UNL     1       9.263   2.080  -1.826  1.00  0.00           C  
HETATM    4  C   UNL     1       9.540   0.767  -1.059  1.00  0.00           C  
HETATM    5  C   UNL     1       7.132   4.154  -0.874  1.00  0.00           C  
HETATM    6  C   UNL     1       8.159   0.079  -0.983  1.00  0.00           C  
HETATM    7  C   UNL     1       6.496   5.355  -1.142  1.00  0.00           C  
HETATM    8  C   UNL     1       7.989  -0.627   0.364  1.00  0.00           C  
HETATM    9  C   UNL     1       6.360   6.296  -0.110  1.00  0.00           C  
HETATM   10  C   UNL     1       6.503   4.114  -3.092  1.00  0.00           C  
HETATM   11  C   UNL     1       5.375   6.479  -3.163  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.650  -2.961   0.556  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.175  -2.630  -0.843  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.716  -2.462  -0.821  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.097  -2.776  -2.288  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.899  -3.583  -2.825  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.228  -5.680  -3.857  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.892  -6.617  -1.873  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.188  -7.488  -0.826  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.238  -6.462  -0.583  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.843  -5.663  -2.234  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.207  -1.663  -4.098  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.752   1.469   2.055  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.655   2.988   1.899  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.254   3.681   3.138  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.454   4.484   2.581  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.739   3.756   1.243  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.840   4.936  -0.880  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.635   6.309  -1.474  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.253   6.018  -0.233  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.629   5.193   0.634  1.00  0.00           C  
HETATM   32  N   UNL     1       6.858   6.001   1.109  1.00  0.00           N  
HETATM   33  N   UNL     1       7.978   4.526   2.567  1.00  0.00           N  
HETATM   34  N   UNL     1       7.605   3.920   0.361  1.00  0.00           N  
HETATM   35  N   UNL     1       6.084   5.387  -2.491  1.00  0.00           N  
HETATM   36  N   UNL     1       7.159   3.366  -2.013  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.353  -4.900  -3.292  1.00  0.00           N  
HETATM   38  N   UNL     1      -1.763  -6.484  -2.703  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.272  -8.455  -0.429  1.00  0.00           N  
HETATM   40  N   UNL     1      -4.365  -7.376  -0.212  1.00  0.00           N  
HETATM   41  N   UNL     1      -4.995  -5.620  -1.568  1.00  0.00           N  
HETATM   42  N   UNL     1      -8.416   4.652   0.302  1.00  0.00           N  
HETATM   43  N   UNL     1      -8.440   5.756  -1.763  1.00  0.00           N  
HETATM   44  O   UNL     1      10.011   2.115  -3.043  1.00  0.00           O  
HETATM   45  O   UNL     1      10.467  -0.048  -1.778  1.00  0.00           O  
HETATM   46  O   UNL     1       7.203   1.154  -1.112  1.00  0.00           O  
HETATM   47  O   UNL     1       6.758  -1.352   0.370  1.00  0.00           O  
HETATM   48  O   UNL     1       5.805   7.365  -0.314  1.00  0.00           O  
HETATM   49  O   UNL     1       7.265  -3.444   1.879  1.00  0.00           O  
HETATM   50  O   UNL     1       6.220  -1.355   2.836  1.00  0.00           O  
HETATM   51  O   UNL     1       4.778  -2.786   1.338  1.00  0.00           O  
HETATM   52  O   UNL     1       3.407  -2.437   3.428  1.00  0.00           O  
HETATM   53  O   UNL     1       3.955  -4.817   2.791  1.00  0.00           O  
HETATM   54  O   UNL     1       2.222  -3.396   1.416  1.00  0.00           O  
HETATM   55  O   UNL     1       0.386  -2.460   2.874  1.00  0.00           O  
HETATM   56  O   UNL     1       0.287  -4.923   2.332  1.00  0.00           O  
HETATM   57  O   UNL     1      -0.228  -3.099   0.510  1.00  0.00           O  
HETATM   58  O   UNL     1      -1.971  -3.743  -1.740  1.00  0.00           O  
HETATM   59  O   UNL     1      -4.078  -1.123  -0.475  1.00  0.00           O  
HETATM   60  O   UNL     1      -4.259  -1.567  -3.033  1.00  0.00           O  
HETATM   61  O   UNL     1      -4.401  -1.349   2.018  1.00  0.00           O  
HETATM   62  O   UNL     1      -6.474  -1.370   0.579  1.00  0.00           O  
HETATM   63  O   UNL     1      -5.092   0.834   0.957  1.00  0.00           O  
HETATM   64  O   UNL     1      -6.423   3.412   0.760  1.00  0.00           O  
HETATM   65  O   UNL     1      -5.296   4.560   3.731  1.00  0.00           O  
HETATM   66  O   UNL     1      -7.093   5.848   2.353  1.00  0.00           O  
HETATM   67  O   UNL     1      -6.760   4.448  -1.153  1.00  0.00           O  
HETATM   68  O   UNL     1     -10.178   7.051  -2.272  1.00  0.00           O  
HETATM   69  P   UNL     1       6.254  -2.216   1.632  1.00  0.00           P  
HETATM   70  P   UNL     1       3.586  -3.339   2.269  1.00  0.00           P  
HETATM   71  P   UNL     1       0.661  -3.448   1.806  1.00  0.00           P  
HETATM   72  P   UNL     1      -4.998  -0.765   0.797  1.00  0.00           P  
HETATM   73  H   UNL     1       7.570   1.617  -3.117  1.00  0.00           H  
HETATM   74  H   UNL     1       9.502   2.944  -1.207  1.00  0.00           H  
HETATM   75  H   UNL     1       9.916   0.980  -0.058  1.00  0.00           H  
HETATM   76  H   UNL     1       8.043  -0.631  -1.801  1.00  0.00           H  
HETATM   77  H   UNL     1       8.818  -1.316   0.520  1.00  0.00           H  
HETATM   78  H   UNL     1       7.977   0.115   1.163  1.00  0.00           H  
HETATM   79  H   UNL     1       5.635   3.565  -3.457  1.00  0.00           H  
HETATM   80  H   UNL     1       7.205   4.293  -3.906  1.00  0.00           H  
HETATM   81  H   UNL     1       4.299   6.329  -3.065  1.00  0.00           H  
HETATM   82  H   UNL     1       5.652   7.429  -2.705  1.00  0.00           H  
HETATM   83  H   UNL     1       5.645   6.492  -4.219  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.916  -2.158   1.243  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.095  -3.895   0.899  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.694  -1.732  -1.229  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.176  -3.176  -0.138  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.008  -3.374  -2.326  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.424  -3.041  -3.643  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.574  -6.326  -4.663  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.436  -5.018  -4.209  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.182  -6.399  -0.064  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.272  -0.705  -4.614  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.887  -2.433  -4.801  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.184  -1.925  -3.693  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.276   1.168   2.988  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.801   1.171   2.069  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.613   3.282   1.776  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.593   2.941   3.863  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.312   4.417   3.251  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.335   2.859   1.413  1.00  0.00           H  
HETATM  102  H   UNL     1     -11.210   6.452   0.016  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.085   4.960   1.585  1.00  0.00           H  
HETATM  104  H   UNL     1       6.773   6.640   1.834  1.00  0.00           H  
HETATM  105  H   UNL     1       7.886   5.172   3.284  1.00  0.00           H  
HETATM  106  H   UNL     1       8.422   3.679   2.730  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.011  -6.020  -2.217  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.418  -8.528  -0.882  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.487  -9.056   0.301  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.010   5.950  -2.611  1.00  0.00           H  
HETATM  111  H   UNL     1      10.969   2.148  -2.915  1.00  0.00           H  
HETATM  112  H   UNL     1      11.350   0.337  -1.856  1.00  0.00           H  
HETATM  113  H   UNL     1       7.338  -4.051   1.130  1.00  0.00           H  
HETATM  114  H   UNL     1       4.087  -5.462   2.083  1.00  0.00           H  
HETATM  115  H   UNL     1       0.443  -5.623   1.683  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.926  -1.031  -0.206  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.619   5.023   4.516  1.00  0.00           H  
HETATM  118  H   UNL     1      -6.819   6.321   3.151  1.00  0.00           H  
CONECT    1   36    3   46   73                                       
CONECT    2   32   34   34   33                                       
CONECT    3    4    1   44   74                                       
CONECT    4   45    6    3   75                                       
CONECT    5    7    7   36   34                                       
CONECT    6    8    4   46   76                                       
CONECT    7   35    9    5    5                                       
CONECT    8   47    6   77   78                                       
CONECT    9   48   48    7   32                                       
CONECT   10   35   36   79   80                                       
CONECT   11   35   81   82   83                                       
CONECT   12   13   57   84   85                                       
CONECT   13   14   58   12   86                                       
CONECT   14   59   15   13   87                                       
CONECT   15   60   14   16   88                                       
CONECT   16   15   58   37   89                                       
CONECT   17   37   38   90   91                                       
CONECT   18   21   21   19   38                                       
CONECT   19   40   40   18   39                                       
CONECT   20   41   41   40   92                                       
CONECT   21   41   37   18   18                                       
CONECT   22   60   93   94   95                                       
CONECT   23   24   63   96   97                                       
CONECT   24   23   25   64   98                                       
CONECT   25   65   24   26   99                                       
CONECT   26   25   66   27  100                                       
CONECT   27   64   26   42  101                                       
CONECT   28   67   67   42   43                                       
CONECT   29   43   30   68   68                                       
CONECT   30   31   31   29  102                                       
CONECT   31   42   30   30  103                                       
CONECT   32    9    2  104                                            
CONECT   33    2  105  106                                            
CONECT   34    5    2    2                                            
CONECT   35   11   10    7                                            
CONECT   36   10    1    5                                            
CONECT   37   16   21   17                                            
CONECT   38   18   17  107                                            
CONECT   39   19  108  109                                            
CONECT   40   20   19   19                                            
CONECT   41   20   20   21                                            
CONECT   42   27   28   31                                            
CONECT   43   28   29  110                                            
CONECT   44    3  111                                                 
CONECT   45    4  112                                                 
CONECT   46    6    1                                                 
CONECT   47   69    8                                                 
CONECT   48    9    9                                                 
CONECT   49   69  113                                                 
CONECT   50   69   69                                                 
CONECT   51   70   69                                                 
CONECT   52   70   70                                                 
CONECT   53   70  114                                                 
CONECT   54   71   70                                                 
CONECT   55   71   71                                                 
CONECT   56   71  115                                                 
CONECT   57   12   71                                                 
CONECT   58   13   16                                                 
CONECT   59   72   14                                                 
CONECT   60   22   15                                                 
CONECT   61   72   72                                                 
CONECT   62   72  116                                                 
CONECT   63   23   72                                                 
CONECT   64   24   27                                                 
CONECT   65   25  117                                                 
CONECT   66   26  118                                                 
CONECT   67   28   28                                                 
CONECT   68   29   29                                                 
CONECT   69   50   50   51   49                                       
CONECT   69   47                                                      
CONECT   70   54   52   52   51                                       
CONECT   70   53                                                      
CONECT   71   57   55   55   54                                       
CONECT   71   56                                                      
CONECT   72   61   61   63   59                                       
CONECT   72   62                                                      
CONECT   73    1                                                      
CONECT   74    3                                                      
CONECT   75    4                                                      
CONECT   76    6                                                      
CONECT   77    8                                                      
CONECT   78    8                                                      
CONECT   79   10                                                      
CONECT   80   10                                                      
CONECT   81   11                                                      
CONECT   82   11                                                      
CONECT   83   11                                                      
CONECT   84   12                                                      
CONECT   85   12                                                      
CONECT   86   13                                                      
CONECT   87   14                                                      
CONECT   88   15                                                      
CONECT   89   16                                                      
CONECT   90   17                                                      
CONECT   91   17                                                      
CONECT   92   20                                                      
CONECT   93   22                                                      
CONECT   94   22                                                      
CONECT   95   22                                                      
CONECT   96   23                                                      
CONECT   97   23                                                      
CONECT   98   24                                                      
CONECT   99   25                                                      
CONECT  100   26                                                      
CONECT  101   27                                                      
CONECT  102   30                                                      
CONECT  103   31                                                      
CONECT  104   32                                                      
CONECT  105   33                                                      
CONECT  106   33                                                      
CONECT  107   38                                                      
CONECT  108   39                                                      
CONECT  109   39                                                      
CONECT  110   43                                                      
CONECT  111   44                                                      
CONECT  112   45                                                      
CONECT  113   49                                                      
CONECT  114   53                                                      
CONECT  115   56                                                      
CONECT  116   62                                                      
CONECT  117   65                                                      
CONECT  118   66                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
