COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.447  -0.818  -1.607  1.00  0.00           O  
HETATM    2  C   UNL     1       2.158  -1.447  -0.608  1.00  0.00           C  
HETATM    3  O   UNL     1       1.572  -2.655  -0.719  1.00  0.00           O  
HETATM    4  C   UNL     1       1.309  -3.139  -2.062  1.00  0.00           C  
HETATM    5  C   UNL     1       0.644  -4.515  -1.987  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.639  -4.391  -1.371  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.348  -5.627  -1.251  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.701  -5.375  -0.582  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.508  -4.557  -1.432  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.800  -4.262  -0.898  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.572  -3.385  -1.886  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.896  -3.082  -1.338  1.00  0.00           N  
HETATM   13  N   UNL     1      -7.764  -3.946  -0.942  1.00  0.00           N  
HETATM   14  C   UNL     1      -7.415  -1.845  -1.157  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.649  -2.028  -0.632  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.635  -0.953  -0.250  1.00  0.00           C  
HETATM   17  O   UNL     1      -9.070   0.330  -0.527  1.00  0.00           O  
HETATM   18  C   UNL     1      -9.928   1.425  -0.199  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.337   2.722  -0.757  1.00  0.00           C  
HETATM   20  O   UNL     1     -10.220   3.810  -0.477  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.979   2.981  -0.097  1.00  0.00           C  
HETATM   22  O   UNL     1      -7.453   4.227  -0.558  1.00  0.00           O  
HETATM   23  C   UNL     1      -8.165   3.034   1.423  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.895   3.203   2.054  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.802   1.725   1.897  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.046   1.794   3.406  1.00  0.00           C  
HETATM   27  O   UNL     1      -9.532   0.532   3.868  1.00  0.00           O  
HETATM   28  O   UNL     1     -10.046   1.530   1.221  1.00  0.00           O  
HETATM   29  N   UNL     1      -8.822  -3.349  -0.517  1.00  0.00           N  
HETATM   30  C   UNL     1       2.456  -0.890   0.727  1.00  0.00           C  
HETATM   31  C   UNL     1       1.539  -1.038   1.770  1.00  0.00           C  
HETATM   32  C   UNL     1       1.824  -0.516   3.014  1.00  0.00           C  
HETATM   33  C   UNL     1       3.015   0.155   3.230  1.00  0.00           C  
HETATM   34  C   UNL     1       3.928   0.306   2.202  1.00  0.00           C  
HETATM   35  C   UNL     1       3.659  -0.217   0.954  1.00  0.00           C  
HETATM   36  C   UNL     1       4.657  -0.057  -0.164  1.00  0.00           C  
HETATM   37  C   UNL     1       5.987  -0.604   0.278  1.00  0.00           C  
HETATM   38  C   UNL     1       6.183  -1.975   0.296  1.00  0.00           C  
HETATM   39  C   UNL     1       7.393  -2.502   0.698  1.00  0.00           C  
HETATM   40  C   UNL     1       8.424  -1.654   1.087  1.00  0.00           C  
HETATM   41  N   UNL     1       9.650  -2.184   1.495  1.00  0.00           N  
HETATM   42  C   UNL     1      10.735  -1.289   1.904  1.00  0.00           C  
HETATM   43  C   UNL     1      11.586  -0.928   0.685  1.00  0.00           C  
HETATM   44  C   UNL     1       9.852  -3.635   1.513  1.00  0.00           C  
HETATM   45  C   UNL     1      10.396  -4.091   0.157  1.00  0.00           C  
HETATM   46  C   UNL     1       8.231  -0.281   1.069  1.00  0.00           C  
HETATM   47  C   UNL     1       7.011   0.246   0.664  1.00  0.00           C  
HETATM   48  O   UNL     1       6.843   1.590   0.655  1.00  0.00           O  
HETATM   49  C   UNL     1       5.861   2.148  -0.091  1.00  0.00           C  
HETATM   50  C   UNL     1       5.949   3.493  -0.430  1.00  0.00           C  
HETATM   51  C   UNL     1       4.775   1.400  -0.518  1.00  0.00           C  
HETATM   52  C   UNL     1       3.783   1.994  -1.280  1.00  0.00           C  
HETATM   53  C   UNL     1       3.868   3.329  -1.618  1.00  0.00           C  
HETATM   54  C   UNL     1       4.954   4.084  -1.193  1.00  0.00           C  
HETATM   55  N   UNL     1       5.042   5.436  -1.533  1.00  0.00           N  
HETATM   56  C   UNL     1       3.990   6.059  -2.339  1.00  0.00           C  
HETATM   57  C   UNL     1       2.908   6.626  -1.416  1.00  0.00           C  
HETATM   58  C   UNL     1       6.188   6.231  -1.083  1.00  0.00           C  
HETATM   59  C   UNL     1       7.301   6.159  -2.130  1.00  0.00           C  
HETATM   60  H   UNL     1       0.646  -2.443  -2.576  1.00  0.00           H  
HETATM   61  H   UNL     1       2.248  -3.219  -2.610  1.00  0.00           H  
HETATM   62  H   UNL     1       0.528  -4.918  -2.993  1.00  0.00           H  
HETATM   63  H   UNL     1       1.267  -5.188  -1.396  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.506  -6.052  -2.242  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.767  -6.322  -0.646  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.204  -6.327  -0.410  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.547  -4.869   0.370  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.346  -5.190  -0.732  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.689  -3.732   0.048  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.026  -2.456  -2.052  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.682  -3.915  -2.832  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.940  -0.903  -1.385  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.551  -1.079  -0.827  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.861  -1.029   0.813  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.913   1.258  -0.634  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.206   2.628  -1.836  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.102   3.710  -0.861  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.290   2.177  -0.352  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.317   4.267  -1.514  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.816   3.870   1.681  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.431   4.012   1.795  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.133   0.894   1.674  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.112   2.032   3.915  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.784   2.568   3.620  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.709   0.503   4.818  1.00  0.00           H  
HETATM   86  H   UNL     1       0.609  -1.561   1.602  1.00  0.00           H  
HETATM   87  H   UNL     1       1.115  -0.630   3.821  1.00  0.00           H  
HETATM   88  H   UNL     1       3.233   0.562   4.206  1.00  0.00           H  
HETATM   89  H   UNL     1       4.855   0.831   2.378  1.00  0.00           H  
HETATM   90  H   UNL     1       4.312  -0.613  -1.036  1.00  0.00           H  
HETATM   91  H   UNL     1       5.383  -2.636  -0.006  1.00  0.00           H  
HETATM   92  H   UNL     1       7.540  -3.572   0.711  1.00  0.00           H  
HETATM   93  H   UNL     1      10.313  -0.380   2.335  1.00  0.00           H  
HETATM   94  H   UNL     1      11.357  -1.788   2.647  1.00  0.00           H  
HETATM   95  H   UNL     1      12.394  -0.262   0.990  1.00  0.00           H  
HETATM   96  H   UNL     1      12.008  -1.837   0.255  1.00  0.00           H  
HETATM   97  H   UNL     1      10.964  -0.429  -0.058  1.00  0.00           H  
HETATM   98  H   UNL     1      10.564  -3.893   2.296  1.00  0.00           H  
HETATM   99  H   UNL     1       8.901  -4.131   1.709  1.00  0.00           H  
HETATM  100  H   UNL     1       9.683  -3.833  -0.626  1.00  0.00           H  
HETATM  101  H   UNL     1      11.346  -3.595  -0.038  1.00  0.00           H  
HETATM  102  H   UNL     1      10.545  -5.171   0.171  1.00  0.00           H  
HETATM  103  H   UNL     1       9.031   0.380   1.370  1.00  0.00           H  
HETATM  104  H   UNL     1       6.794   4.078  -0.099  1.00  0.00           H  
HETATM  105  H   UNL     1       2.938   1.408  -1.612  1.00  0.00           H  
HETATM  106  H   UNL     1       3.091   3.787  -2.213  1.00  0.00           H  
HETATM  107  H   UNL     1       4.417   6.866  -2.934  1.00  0.00           H  
HETATM  108  H   UNL     1       3.549   5.313  -3.000  1.00  0.00           H  
HETATM  109  H   UNL     1       2.125   7.089  -2.016  1.00  0.00           H  
HETATM  110  H   UNL     1       2.481   5.819  -0.820  1.00  0.00           H  
HETATM  111  H   UNL     1       3.349   7.372  -0.754  1.00  0.00           H  
HETATM  112  H   UNL     1       5.881   7.268  -0.951  1.00  0.00           H  
HETATM  113  H   UNL     1       6.554   5.837  -0.135  1.00  0.00           H  
HETATM  114  H   UNL     1       7.608   5.121  -2.263  1.00  0.00           H  
HETATM  115  H   UNL     1       6.935   6.553  -3.078  1.00  0.00           H  
HETATM  116  H   UNL     1       8.154   6.750  -1.796  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   30    1    1                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   60   61                                       
CONECT    5    6    4   62   63                                       
CONECT    6    7    5                                                 
CONECT    7    8    6   64   65                                       
CONECT    8    9    7   66   67                                       
CONECT    9   10    8                                                 
CONECT   10    9   11   68   69                                       
CONECT   11   10   12   70   71                                       
CONECT   12   11   13   14                                            
CONECT   13   12   29   29                                            
CONECT   14   12   15   15   72                                       
CONECT   15   14   14   29   16                                       
CONECT   16   15   17   73   74                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   28   75                                       
CONECT   19   21   18   20   76                                       
CONECT   20   19   77                                                 
CONECT   21   22   19   23   78                                       
CONECT   22   21   79                                                 
CONECT   23   21   24   25   80                                       
CONECT   24   23   81                                                 
CONECT   25   23   28   26   82                                       
CONECT   26   25   27   83   84                                       
CONECT   27   26   85                                                 
CONECT   28   18   25                                                 
CONECT   29   13   13   15                                            
CONECT   30   31    2   35   35                                       
CONECT   31   32   32   30   86                                       
CONECT   32   31   31   33   87                                       
CONECT   33   32   34   34   88                                       
CONECT   34   33   33   35   89                                       
CONECT   35   30   30   34   36                                       
CONECT   36   37   35   51   90                                       
CONECT   37   38   47   47   36                                       
CONECT   38   39   39   37   91                                       
CONECT   39   40   38   38   92                                       
CONECT   40   41   39   46   46                                       
CONECT   41   42   44   40                                            
CONECT   42   43   41   93   94                                       
CONECT   43   42   95   96   97                                       
CONECT   44   41   45   98   99                                       
CONECT   45   44  100  101  102                                       
CONECT   46   40   40   47  103                                       
CONECT   47   46   37   37   48                                       
CONECT   48   47   49                                                 
CONECT   49   48   51   51   50                                       
CONECT   50   49   54   54  104                                       
CONECT   51   36   49   49   52                                       
CONECT   52   51   53   53  105                                       
CONECT   53   52   52   54  106                                       
CONECT   54   50   50   53   55                                       
CONECT   55   54   56   58                                            
CONECT   56   55   57  107  108                                       
CONECT   57   56  109  110  111                                       
CONECT   58   55   59  112  113                                       
CONECT   59   58  114  115  116                                       
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68   10                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   14                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   36                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   44                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   46                                                      
CONECT  104   50                                                      
CONECT  105   52                                                      
CONECT  106   53                                                      
CONECT  107   56                                                      
CONECT  108   56                                                      
CONECT  109   57                                                      
CONECT  110   57                                                      
CONECT  111   57                                                      
CONECT  112   58                                                      
CONECT  113   58                                                      
CONECT  114   59                                                      
CONECT  115   59                                                      
CONECT  116   59                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
