COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -20.116  -2.086   0.427  1.00  0.00           N  
HETATM    2  C   UNL     1     -19.373  -1.752   1.466  1.00  0.00           C  
HETATM    3  N   UNL     1     -18.108  -1.408   1.348  1.00  0.00           N  
HETATM    4  C   UNL     1     -17.521  -1.384   0.156  1.00  0.00           C  
HETATM    5  C   UNL     1     -18.270  -1.731  -0.982  1.00  0.00           C  
HETATM    6  C   UNL     1     -19.616  -2.091  -0.804  1.00  0.00           C  
HETATM    7  N   UNL     1     -20.403  -2.443  -1.887  1.00  0.00           N  
HETATM    8  N   UNL     1     -17.445  -1.624  -2.051  1.00  0.00           N  
HETATM    9  C   UNL     1     -16.266  -1.243  -1.652  1.00  0.00           C  
HETATM   10  N   UNL     1     -16.262  -1.081  -0.299  1.00  0.00           N  
HETATM   11  O   UNL     1     -11.962   0.457  -1.660  1.00  0.00           O  
HETATM   12  O   UNL     1     -12.283  -1.475   2.281  1.00  0.00           O  
HETATM   13  O   UNL     1     -14.719  -2.215   2.364  1.00  0.00           O  
HETATM   14  O   UNL     1     -14.174   0.079  -0.279  1.00  0.00           O  
HETATM   15  C   UNL     1     -11.767   0.282  -0.475  1.00  0.00           C  
HETATM   16  C   UNL     1     -12.861  -1.444   0.974  1.00  0.00           C  
HETATM   17  C   UNL     1     -14.339  -1.893   1.024  1.00  0.00           C  
HETATM   18  C   UNL     1     -12.927   0.006   0.446  1.00  0.00           C  
HETATM   19  C   UNL     1     -15.122  -0.661   0.521  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.147   1.181  -0.349  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.173   0.980   0.847  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.429   1.175  -1.142  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.606   0.895  -0.206  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.907   0.889  -1.011  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.085   0.609  -0.075  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.386   0.603  -0.880  1.00  0.00           C  
HETATM   27  N   UNL     1     -10.513   0.335   0.016  1.00  0.00           N  
HETATM   28  N   UNL     1      -1.972   1.408  -0.969  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.726   1.414  -0.198  1.00  0.00           C  
HETATM   30  C   UNL     1       0.428   1.075  -1.106  1.00  0.00           C  
HETATM   31  O   UNL     1       0.229   0.851  -2.282  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.508   2.801   0.408  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.614   3.094   1.424  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.395   4.481   2.030  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.501   4.774   3.047  1.00  0.00           C  
HETATM   36  N   UNL     1      -2.291   6.106   3.629  1.00  0.00           N  
HETATM   37  C   UNL     1       9.029   0.020  -0.937  1.00  0.00           C  
HETATM   38  O   UNL     1       9.008   0.274   0.249  1.00  0.00           O  
HETATM   39  C   UNL     1       7.748   0.015  -1.729  1.00  0.00           C  
HETATM   40  C   UNL     1       6.576   0.359  -0.807  1.00  0.00           C  
HETATM   41  C   UNL     1       5.275   0.353  -1.612  1.00  0.00           C  
HETATM   42  C   UNL     1       4.103   0.697  -0.690  1.00  0.00           C  
HETATM   43  C   UNL     1       2.802   0.691  -1.495  1.00  0.00           C  
HETATM   44  N   UNL     1       1.681   1.021  -0.613  1.00  0.00           N  
HETATM   45  N   UNL     1      10.199  -0.257  -1.545  1.00  0.00           N  
HETATM   46  C   UNL     1      11.445  -0.252  -0.774  1.00  0.00           C  
HETATM   47  C   UNL     1      11.991   1.175  -0.698  1.00  0.00           C  
HETATM   48  C   UNL     1      11.020   2.051   0.096  1.00  0.00           C  
HETATM   49  C   UNL     1      11.567   3.478   0.172  1.00  0.00           C  
HETATM   50  N   UNL     1      10.637   4.317   0.933  1.00  0.00           N  
HETATM   51  C   UNL     1      10.919   5.648   1.134  1.00  0.00           C  
HETATM   52  N   UNL     1      10.046   6.435   1.848  1.00  0.00           N  
HETATM   53  N   UNL     1      12.013   6.163   0.648  1.00  0.00           N  
HETATM   54  C   UNL     1      12.457  -1.141  -1.449  1.00  0.00           C  
HETATM   55  O   UNL     1      12.166  -1.723  -2.473  1.00  0.00           O  
HETATM   56  N   UNL     1      13.685  -1.291  -0.915  1.00  0.00           N  
HETATM   57  C   UNL     1      14.669  -2.156  -1.571  1.00  0.00           C  
HETATM   58  C   UNL     1      15.681  -2.654  -0.536  1.00  0.00           C  
HETATM   59  C   UNL     1      14.971  -3.548   0.482  1.00  0.00           C  
HETATM   60  C   UNL     1      15.982  -4.046   1.517  1.00  0.00           C  
HETATM   61  N   UNL     1      15.302  -4.902   2.492  1.00  0.00           N  
HETATM   62  C   UNL     1      16.014  -5.469   3.523  1.00  0.00           C  
HETATM   63  N   UNL     1      15.375  -6.272   4.438  1.00  0.00           N  
HETATM   64  N   UNL     1      17.293  -5.244   3.633  1.00  0.00           N  
HETATM   65  C   UNL     1      15.388  -1.377  -2.642  1.00  0.00           C  
HETATM   66  O   UNL     1      15.106  -0.214  -2.838  1.00  0.00           O  
HETATM   67  N   UNL     1      16.344  -1.973  -3.382  1.00  0.00           N  
HETATM   68  H   UNL     1     -19.819  -1.761   2.449  1.00  0.00           H  
HETATM   69  H   UNL     1     -21.332  -2.690  -1.752  1.00  0.00           H  
HETATM   70  H   UNL     1     -20.027  -2.443  -2.781  1.00  0.00           H  
HETATM   71  H   UNL     1     -15.416  -1.080  -2.298  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.356  -1.203   2.308  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.215  -2.944   2.751  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.293  -2.076   0.292  1.00  0.00           H  
HETATM   75  H   UNL     1     -14.501  -2.747   0.366  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.929   0.714   1.275  1.00  0.00           H  
HETATM   77  H   UNL     1     -15.463  -0.056   1.361  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.566   2.146  -1.618  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.380   0.400  -1.906  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.469  -0.076   0.270  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.655   1.670   0.558  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.044   1.860  -1.487  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.858   0.114  -1.776  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.948  -0.362   0.401  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.134   1.384   0.689  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.523   1.574  -1.356  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.337  -0.172  -1.645  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.357   0.195   0.963  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.952   1.569  -1.926  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.790   0.674   0.600  1.00  0.00           H  
HETATM   91  H   UNL     1       0.461   2.831   0.907  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.533   3.551  -0.382  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.582   3.064   0.925  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.588   2.344   2.215  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.426   4.511   2.529  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.420   5.231   1.240  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.470   4.744   2.548  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.476   4.024   3.837  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.009   6.323   4.304  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.373   6.180   4.041  1.00  0.00           H  
HETATM  101  H   UNL     1       7.811   0.754  -2.528  1.00  0.00           H  
HETATM  102  H   UNL     1       7.592  -0.974  -2.161  1.00  0.00           H  
HETATM  103  H   UNL     1       6.513  -0.381  -0.009  1.00  0.00           H  
HETATM  104  H   UNL     1       6.732   1.347  -0.375  1.00  0.00           H  
HETATM  105  H   UNL     1       5.338   1.092  -2.411  1.00  0.00           H  
HETATM  106  H   UNL     1       5.119  -0.636  -2.044  1.00  0.00           H  
HETATM  107  H   UNL     1       4.040  -0.043   0.108  1.00  0.00           H  
HETATM  108  H   UNL     1       4.259   1.686  -0.258  1.00  0.00           H  
HETATM  109  H   UNL     1       2.866   1.431  -2.294  1.00  0.00           H  
HETATM  110  H   UNL     1       2.647  -0.297  -1.927  1.00  0.00           H  
HETATM  111  H   UNL     1       1.839   1.200   0.327  1.00  0.00           H  
HETATM  112  H   UNL     1      10.217  -0.460  -2.493  1.00  0.00           H  
HETATM  113  H   UNL     1      11.251  -0.621   0.233  1.00  0.00           H  
HETATM  114  H   UNL     1      12.962   1.167  -0.202  1.00  0.00           H  
HETATM  115  H   UNL     1      12.102   1.577  -1.706  1.00  0.00           H  
HETATM  116  H   UNL     1      10.050   2.060  -0.400  1.00  0.00           H  
HETATM  117  H   UNL     1      10.910   1.650   1.104  1.00  0.00           H  
HETATM  118  H   UNL     1      12.537   3.470   0.668  1.00  0.00           H  
HETATM  119  H   UNL     1      11.677   3.880  -0.835  1.00  0.00           H  
HETATM  120  H   UNL     1       9.823   3.934   1.294  1.00  0.00           H  
HETATM  121  H   UNL     1       9.232   6.052   2.209  1.00  0.00           H  
HETATM  122  H   UNL     1      10.245   7.374   1.990  1.00  0.00           H  
HETATM  123  H   UNL     1      12.212   7.102   0.790  1.00  0.00           H  
HETATM  124  H   UNL     1      13.918  -0.826  -0.096  1.00  0.00           H  
HETATM  125  H   UNL     1      14.160  -3.009  -2.021  1.00  0.00           H  
HETATM  126  H   UNL     1      16.462  -3.224  -1.038  1.00  0.00           H  
HETATM  127  H   UNL     1      16.125  -1.801  -0.023  1.00  0.00           H  
HETATM  128  H   UNL     1      14.189  -2.978   0.984  1.00  0.00           H  
HETATM  129  H   UNL     1      14.526  -4.401  -0.031  1.00  0.00           H  
HETATM  130  H   UNL     1      16.764  -4.616   1.015  1.00  0.00           H  
HETATM  131  H   UNL     1      16.427  -3.193   2.030  1.00  0.00           H  
HETATM  132  H   UNL     1      14.350  -5.069   2.410  1.00  0.00           H  
HETATM  133  H   UNL     1      14.424  -6.439   4.356  1.00  0.00           H  
HETATM  134  H   UNL     1      15.877  -6.672   5.166  1.00  0.00           H  
HETATM  135  H   UNL     1      17.795  -5.644   4.360  1.00  0.00           H  
HETATM  136  H   UNL     1      16.569  -2.904  -3.225  1.00  0.00           H  
HETATM  137  H   UNL     1      16.807  -1.472  -4.071  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   68                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   69   70                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   71                                       
CONECT   10    4    9   19                                            
CONECT   11   15   15                                                 
CONECT   12   16   72                                                 
CONECT   13   17   73                                                 
CONECT   14   18   19                                                 
CONECT   15   11   11   18   27                                       
CONECT   16   12   17   18   74                                       
CONECT   17   13   16   19   75                                       
CONECT   18   14   15   16   76                                       
CONECT   19   10   14   17   77                                       
CONECT   20   21   21   22   28                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   78   79                                       
CONECT   23   22   24   80   81                                       
CONECT   24   23   25   82   83                                       
CONECT   25   24   26   84   85                                       
CONECT   26   25   27   86   87                                       
CONECT   27   26   88   15                                            
CONECT   28   29   89   20                                            
CONECT   29   28   30   32   90                                       
CONECT   30   29   31   31   44                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   91   92                                       
CONECT   33   32   34   93   94                                       
CONECT   34   33   35   95   96                                       
CONECT   35   34   36   97   98                                       
CONECT   36   35   99  100                                            
CONECT   37   38   38   39   45                                       
CONECT   38   37   37                                                 
CONECT   39   37   40  101  102                                       
CONECT   40   39   41  103  104                                       
CONECT   41   40   42  105  106                                       
CONECT   42   41   43  107  108                                       
CONECT   43   42   44  109  110                                       
CONECT   44   43  111   30                                            
CONECT   45   46  112   37                                            
CONECT   46   45   47   54  113                                       
CONECT   47   46   48  114  115                                       
CONECT   48   47   49  116  117                                       
CONECT   49   48   50  118  119                                       
CONECT   50   49   51  120                                            
CONECT   51   50   52   53   53                                       
CONECT   52   51  121  122                                            
CONECT   53   51   51  123                                            
CONECT   54   46   55   55   56                                       
CONECT   55   54   54                                                 
CONECT   56   57  124   54                                            
CONECT   57   56   58   65  125                                       
CONECT   58   57   59  126  127                                       
CONECT   59   58   60  128  129                                       
CONECT   60   59   61  130  131                                       
CONECT   61   60   62  132                                            
CONECT   62   61   63   64   64                                       
CONECT   63   62  133  134                                            
CONECT   64   62   62  135                                            
CONECT   65   57   66   66   67                                       
CONECT   66   65   65                                                 
CONECT   67  136  137   65                                            
CONECT   68    2                                                      
CONECT   69    7                                                      
CONECT   70    7                                                      
CONECT   71    9                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   24                                                      
CONECT   84   25                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   34                                                      
CONECT   97   35                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   36                                                      
CONECT  101   39                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   41                                                      
CONECT  107   42                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   43                                                      
CONECT  111   44                                                      
CONECT  112   45                                                      
CONECT  113   46                                                      
CONECT  114   47                                                      
CONECT  115   47                                                      
CONECT  116   48                                                      
CONECT  117   48                                                      
CONECT  118   49                                                      
CONECT  119   49                                                      
CONECT  120   50                                                      
CONECT  121   52                                                      
CONECT  122   52                                                      
CONECT  123   53                                                      
CONECT  124   56                                                      
CONECT  125   57                                                      
CONECT  126   58                                                      
CONECT  127   58                                                      
CONECT  128   59                                                      
CONECT  129   59                                                      
CONECT  130   60                                                      
CONECT  131   60                                                      
CONECT  132   61                                                      
CONECT  133   63                                                      
CONECT  134   63                                                      
CONECT  135   64                                                      
CONECT  136   67                                                      
CONECT  137   67                                                      
MASTER        0    0    0    0    0    0    0    0  137    0  137    0
END
