COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.670   2.253  -1.596  1.00  0.00           C  
HETATM    2  O   UNL     1       8.327   2.671  -0.511  1.00  0.00           O  
HETATM    3  C   UNL     1       9.672   3.022  -2.418  1.00  0.00           C  
HETATM    4  N   UNL     1       8.160   1.097  -2.065  1.00  0.00           N  
HETATM    5  C   UNL     1       7.281   0.287  -1.218  1.00  0.00           C  
HETATM    6  C   UNL     1       6.005   1.043  -0.950  1.00  0.00           C  
HETATM    7  O   UNL     1       5.972   2.247  -1.092  1.00  0.00           O  
HETATM    8  C   UNL     1       7.984  -0.013   0.107  1.00  0.00           C  
HETATM    9  C   UNL     1       9.210  -0.850  -0.153  1.00  0.00           C  
HETATM   10  C   UNL     1      10.430  -0.259  -0.271  1.00  0.00           C  
HETATM   11  C   UNL     1      11.575  -1.017  -0.511  1.00  0.00           C  
HETATM   12  C   UNL     1       9.100  -2.246  -0.270  1.00  0.00           C  
HETATM   13  C   UNL     1      10.264  -3.017  -0.515  1.00  0.00           C  
HETATM   14  C   UNL     1      11.506  -2.370  -0.636  1.00  0.00           C  
HETATM   15  C   UNL     1       7.858  -2.893  -0.148  1.00  0.00           C  
HETATM   16  C   UNL     1       7.790  -4.247  -0.267  1.00  0.00           C  
HETATM   17  C   UNL     1       8.935  -5.005  -0.508  1.00  0.00           C  
HETATM   18  C   UNL     1      10.154  -4.413  -0.631  1.00  0.00           C  
HETATM   19  N   UNL     1       4.900   0.381  -0.552  1.00  0.00           N  
HETATM   20  C   UNL     1       3.661   1.116  -0.291  1.00  0.00           C  
HETATM   21  C   UNL     1       2.809   0.338   0.679  1.00  0.00           C  
HETATM   22  O   UNL     1       3.061  -0.826   0.908  1.00  0.00           O  
HETATM   23  C   UNL     1       2.895   1.307  -1.602  1.00  0.00           C  
HETATM   24  C   UNL     1       2.460  -0.057  -2.141  1.00  0.00           C  
HETATM   25  C   UNL     1       1.660   2.174  -1.350  1.00  0.00           C  
HETATM   26  N   UNL     1       1.768   0.935   1.292  1.00  0.00           N  
HETATM   27  C   UNL     1       1.025   0.222   2.334  1.00  0.00           C  
HETATM   28  C   UNL     1       1.680   0.476   3.693  1.00  0.00           C  
HETATM   29  C   UNL     1       0.930  -0.303   4.775  1.00  0.00           C  
HETATM   30  C   UNL     1       1.058  -1.804   4.503  1.00  0.00           C  
HETATM   31  C   UNL     1       1.529   0.020   6.145  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.421   0.724   2.363  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.433   2.125   2.643  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.076   0.469   1.004  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.533   0.850   1.069  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.000   1.282   2.102  1.00  0.00           O  
HETATM   37  N   UNL     1      -3.315   0.710  -0.019  1.00  0.00           N  
HETATM   38  C   UNL     1      -4.732   1.080   0.045  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.500   0.306  -0.995  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.922  -0.477  -1.718  1.00  0.00           O  
HETATM   41  C   UNL     1      -4.879   2.579  -0.222  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.204   3.367   0.902  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.350   4.843   0.639  1.00  0.00           C  
HETATM   44  O   UNL     1      -4.934   5.227  -0.347  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.831   5.733   1.500  1.00  0.00           O  
HETATM   46  N   UNL     1      -6.830   0.485  -1.121  1.00  0.00           N  
HETATM   47  C   UNL     1      -7.577  -0.268  -2.132  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.435   0.411  -3.470  1.00  0.00           C  
HETATM   49  O   UNL     1      -6.775   1.423  -3.569  1.00  0.00           O  
HETATM   50  C   UNL     1      -9.056  -0.318  -1.740  1.00  0.00           C  
HETATM   51  C   UNL     1      -9.200  -1.017  -0.413  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.265  -0.294   0.738  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.398  -0.923   1.974  1.00  0.00           C  
HETATM   54  C   UNL     1      -9.274  -2.420  -0.358  1.00  0.00           C  
HETATM   55  C   UNL     1      -9.410  -3.059   0.900  1.00  0.00           C  
HETATM   56  C   UNL     1      -9.468  -2.279   2.067  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.217  -3.200  -1.525  1.00  0.00           C  
HETATM   58  C   UNL     1      -9.293  -4.556  -1.433  1.00  0.00           C  
HETATM   59  C   UNL     1      -9.426  -5.185  -0.196  1.00  0.00           C  
HETATM   60  C   UNL     1      -9.485  -4.462   0.955  1.00  0.00           C  
HETATM   61  N   UNL     1      -8.042  -0.107  -4.556  1.00  0.00           N  
HETATM   62  H   UNL     1       9.972   3.920  -1.877  1.00  0.00           H  
HETATM   63  H   UNL     1      10.547   2.399  -2.602  1.00  0.00           H  
HETATM   64  H   UNL     1       9.221   3.305  -3.369  1.00  0.00           H  
HETATM   65  H   UNL     1       8.374   0.801  -2.964  1.00  0.00           H  
HETATM   66  H   UNL     1       7.048  -0.649  -1.726  1.00  0.00           H  
HETATM   67  H   UNL     1       8.278   0.923   0.582  1.00  0.00           H  
HETATM   68  H   UNL     1       7.306  -0.557   0.764  1.00  0.00           H  
HETATM   69  H   UNL     1      10.512   0.814  -0.176  1.00  0.00           H  
HETATM   70  H   UNL     1      12.531  -0.522  -0.601  1.00  0.00           H  
HETATM   71  H   UNL     1      12.401  -2.944  -0.823  1.00  0.00           H  
HETATM   72  H   UNL     1       6.963  -2.319   0.039  1.00  0.00           H  
HETATM   73  H   UNL     1       6.835  -4.742  -0.173  1.00  0.00           H  
HETATM   74  H   UNL     1       8.853  -6.078  -0.598  1.00  0.00           H  
HETATM   75  H   UNL     1      11.033  -5.013  -0.817  1.00  0.00           H  
HETATM   76  H   UNL     1       4.927  -0.582  -0.438  1.00  0.00           H  
HETATM   77  H   UNL     1       3.899   2.091   0.136  1.00  0.00           H  
HETATM   78  H   UNL     1       3.540   1.797  -2.331  1.00  0.00           H  
HETATM   79  H   UNL     1       1.815  -0.547  -1.412  1.00  0.00           H  
HETATM   80  H   UNL     1       1.915   0.079  -3.075  1.00  0.00           H  
HETATM   81  H   UNL     1       3.340  -0.674  -2.321  1.00  0.00           H  
HETATM   82  H   UNL     1       1.967   3.131  -0.927  1.00  0.00           H  
HETATM   83  H   UNL     1       1.137   2.343  -2.291  1.00  0.00           H  
HETATM   84  H   UNL     1       0.995   1.665  -0.651  1.00  0.00           H  
HETATM   85  H   UNL     1       1.511   1.836   1.043  1.00  0.00           H  
HETATM   86  H   UNL     1       1.034  -0.847   2.120  1.00  0.00           H  
HETATM   87  H   UNL     1       2.719   0.148   3.662  1.00  0.00           H  
HETATM   88  H   UNL     1       1.642   1.542   3.921  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.123  -0.020   4.763  1.00  0.00           H  
HETATM   90  H   UNL     1       0.605  -2.361   5.324  1.00  0.00           H  
HETATM   91  H   UNL     1       0.547  -2.049   3.572  1.00  0.00           H  
HETATM   92  H   UNL     1       2.112  -2.069   4.421  1.00  0.00           H  
HETATM   93  H   UNL     1       1.438   1.089   6.338  1.00  0.00           H  
HETATM   94  H   UNL     1       0.995  -0.535   6.915  1.00  0.00           H  
HETATM   95  H   UNL     1       2.582  -0.263   6.157  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.974   0.193   3.138  1.00  0.00           H  
HETATM   97  H   UNL     1       0.042   2.660   1.992  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.578   1.069   0.242  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.988  -0.587   0.750  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.941   0.364  -0.844  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.124   0.847   1.035  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.408   2.827  -1.173  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.937   2.838  -0.263  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.676   3.119   1.854  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.146   3.108   0.943  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.950   6.669   1.289  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.293   1.111  -0.543  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.183  -1.282  -2.195  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.446   0.696  -1.661  1.00  0.00           H  
HETATM  110  H   UNL     1      -9.615  -0.864  -2.501  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.212   0.784   0.692  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.447  -0.325   2.873  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.571  -2.752   3.032  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.115  -2.727  -2.490  1.00  0.00           H  
HETATM  115  H   UNL     1      -9.249  -5.154  -2.331  1.00  0.00           H  
HETATM  116  H   UNL     1      -9.484  -6.262  -0.151  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.589  -4.962   1.906  1.00  0.00           H  
HETATM  118  H   UNL     1      -8.571  -0.917  -4.476  1.00  0.00           H  
HETATM  119  H   UNL     1      -7.951   0.329  -5.417  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   62   63   64                                       
CONECT    4    5   65    1                                            
CONECT    5    4    6    8   66                                       
CONECT    6    5    7    7   19                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   67   68                                       
CONECT    9    8   10   10   12                                       
CONECT   10    9    9   11   69                                       
CONECT   11   10   14   14   70                                       
CONECT   12    9   13   13   15                                       
CONECT   13   12   12   14   18                                       
CONECT   14   11   11   13   71                                       
CONECT   15   12   16   16   72                                       
CONECT   16   15   15   17   73                                       
CONECT   17   16   18   18   74                                       
CONECT   18   13   17   17   75                                       
CONECT   19   20   76    6                                            
CONECT   20   19   21   23   77                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   25   78                                       
CONECT   24   23   79   80   81                                       
CONECT   25   23   82   83   84                                       
CONECT   26   27   85   21                                            
CONECT   27   26   28   32   86                                       
CONECT   28   27   29   87   88                                       
CONECT   29   28   30   31   89                                       
CONECT   30   29   90   91   92                                       
CONECT   31   29   93   94   95                                       
CONECT   32   27   33   34   96                                       
CONECT   33   32   97                                                 
CONECT   34   32   35   98   99                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   38  100   35                                            
CONECT   38   37   39   41  101                                       
CONECT   39   38   40   40   46                                       
CONECT   40   39   39                                                 
CONECT   41   38   42  102  103                                       
CONECT   42   41   43  104  105                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43  106                                                 
CONECT   46   47  107   39                                            
CONECT   47   46   48   50  108                                       
CONECT   48   47   49   49   61                                       
CONECT   49   48   48                                                 
CONECT   50   47   51  109  110                                       
CONECT   51   50   52   52   54                                       
CONECT   52   51   51   53  111                                       
CONECT   53   52   56   56  112                                       
CONECT   54   51   55   55   57                                       
CONECT   55   54   54   56   60                                       
CONECT   56   53   53   55  113                                       
CONECT   57   54   58   58  114                                       
CONECT   58   57   57   59  115                                       
CONECT   59   58   60   60  116                                       
CONECT   60   55   59   59  117                                       
CONECT   61  118  119   48                                            
CONECT   62    3                                                      
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    4                                                      
CONECT   66    5                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   31                                                      
CONECT   96   32                                                      
CONECT   97   33                                                      
CONECT   98   34                                                      
CONECT   99   34                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   41                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   45                                                      
CONECT  107   46                                                      
CONECT  108   47                                                      
CONECT  109   50                                                      
CONECT  110   50                                                      
CONECT  111   52                                                      
CONECT  112   53                                                      
CONECT  113   56                                                      
CONECT  114   57                                                      
CONECT  115   58                                                      
CONECT  116   59                                                      
CONECT  117   60                                                      
CONECT  118   61                                                      
CONECT  119   61                                                      
MASTER        0    0    0    0    0    0    0    0  119    0  119    0
END
