COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.785   3.162   1.110  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.688   2.835   0.189  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.747   1.864   0.855  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.810   1.682   2.052  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.930   4.112  -0.176  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.407   4.260   2.009  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.013   3.485   0.372  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.709   3.756  -1.027  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.850   5.043  -0.968  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.834   1.199   0.119  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.991   0.178   0.746  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.671   0.102   0.023  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.526   0.678  -1.035  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.693  -1.180   0.670  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.865  -2.224   1.422  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.828  -1.872   2.910  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.499  -3.605   1.240  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.653  -0.604   0.552  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.381  -0.708  -0.169  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.665  -1.964   0.255  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.167  -2.701   1.077  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.512   0.509   0.154  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.182   1.773  -0.387  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.377   3.001   0.043  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.235   1.708  -1.915  1.00  0.00           C  
HETATM   26  C   UNL     1       4.746  -2.052   0.612  1.00  0.00           C  
HETATM   27  C   UNL     1       3.265  -2.221   0.831  1.00  0.00           C  
HETATM   28  N   UNL     1       0.534  -2.269  -0.281  1.00  0.00           N  
HETATM   29  C   UNL     1       1.230  -3.491   0.131  1.00  0.00           C  
HETATM   30  C   UNL     1       0.723  -4.672  -0.699  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.753  -4.921  -0.382  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.253  -6.084  -1.200  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.792  -5.866  -2.454  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.250  -6.933  -3.204  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.169  -8.218  -2.700  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.629  -8.436  -1.446  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.167  -7.369  -0.698  1.00  0.00           C  
HETATM   38  C   UNL     1       2.734  -3.320  -0.092  1.00  0.00           C  
HETATM   39  O   UNL     1       5.321  -2.743  -0.202  1.00  0.00           O  
HETATM   40  C   UNL     1       7.129   0.218   2.263  1.00  0.00           C  
HETATM   41  C   UNL     1       5.922   0.572   2.740  1.00  0.00           C  
HETATM   42  C   UNL     1       4.913  -0.235   2.177  1.00  0.00           C  
HETATM   43  C   UNL     1       6.887  -0.920   1.296  1.00  0.00           C  
HETATM   44  C   UNL     1       6.601   0.696  -0.563  1.00  0.00           C  
HETATM   45  C   UNL     1       5.361   0.564  -1.163  1.00  0.00           C  
HETATM   46  C   UNL     1       5.221   2.950  -1.386  1.00  0.00           C  
HETATM   47  C   UNL     1       6.470   3.077  -0.781  1.00  0.00           C  
HETATM   48  C   UNL     1       7.153   1.949  -0.373  1.00  0.00           C  
HETATM   49  C   UNL     1       3.231   4.032  -2.431  1.00  0.00           C  
HETATM   50  C   UNL     1       2.547   5.160  -2.837  1.00  0.00           C  
HETATM   51  C   UNL     1       3.099   6.414  -2.646  1.00  0.00           C  
HETATM   52  N   UNL     1       5.432  -1.134   1.321  1.00  0.00           N  
HETATM   53  O   UNL     1       3.727  -0.132   2.431  1.00  0.00           O  
HETATM   54  O   UNL     1       8.317   0.770   2.580  1.00  0.00           O  
HETATM   55  C   UNL     1       8.301   1.863   3.536  1.00  0.00           C  
HETATM   56  C   UNL     1       7.349  -0.531  -0.110  1.00  0.00           C  
HETATM   57  C   UNL     1       4.668   1.685  -1.575  1.00  0.00           C  
HETATM   58  C   UNL     1       4.480   4.159  -1.826  1.00  0.00           C  
HETATM   59  C   UNL     1       5.032   5.424  -1.635  1.00  0.00           C  
HETATM   60  C   UNL     1       4.339   6.545  -2.046  1.00  0.00           C  
HETATM   61  H   UNL     1      -8.096   2.383  -0.715  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.603   4.614   0.735  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.283   5.176   1.432  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.189   4.405   2.755  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.470   4.015   2.508  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.847   4.372  -0.240  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.283   2.646  -0.270  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.821   3.677   1.077  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.041   3.114  -0.453  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.034   3.231  -1.926  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.184   4.668  -1.309  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.464   5.621  -0.278  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.248   5.720  -1.574  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.494   4.450  -1.618  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.736   1.395  -0.826  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.819   0.440   1.790  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.681  -1.104   1.124  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.794  -1.479  -0.373  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.849  -2.236   1.026  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.320  -2.665   3.459  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.293  -0.933   3.048  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.847  -1.768   3.284  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.525  -3.856   0.179  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.909  -4.349   1.775  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.515  -3.593   1.635  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.761  -1.044   1.410  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.573  -0.743  -1.241  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.393   0.594   1.234  1.00  0.00           H  
HETATM   89  H   UNL     1       0.467   0.389  -0.310  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.195   1.845   0.009  1.00  0.00           H  
HETATM   91  H   UNL     1       0.636   2.929  -0.354  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.855   3.902  -0.343  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.339   3.048   1.131  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.223   1.635  -2.311  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.809   0.833  -2.221  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.713   2.608  -2.301  1.00  0.00           H  
HETATM   97  H   UNL     1       3.080  -2.497   1.869  1.00  0.00           H  
HETATM   98  H   UNL     1       2.756  -1.283   0.609  1.00  0.00           H  
HETATM   99  H   UNL     1       0.935  -1.681  -0.939  1.00  0.00           H  
HETATM  100  H   UNL     1       1.038  -3.680   1.187  1.00  0.00           H  
HETATM  101  H   UNL     1       0.834  -4.445  -1.760  1.00  0.00           H  
HETATM  102  H   UNL     1       1.302  -5.562  -0.456  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.864  -5.148   0.678  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.332  -4.030  -0.626  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.856  -4.863  -2.848  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.672  -6.763  -4.183  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.528  -9.052  -3.286  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.566  -9.439  -1.053  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.741  -7.540   0.280  1.00  0.00           H  
HETATM  110  H   UNL     1       2.919  -3.043  -1.130  1.00  0.00           H  
HETATM  111  H   UNL     1       3.243  -4.258   0.130  1.00  0.00           H  
HETATM  112  H   UNL     1       5.750   1.363   3.455  1.00  0.00           H  
HETATM  113  H   UNL     1       7.405  -1.819   1.630  1.00  0.00           H  
HETATM  114  H   UNL     1       4.934  -0.417  -1.309  1.00  0.00           H  
HETATM  115  H   UNL     1       6.902   4.055  -0.632  1.00  0.00           H  
HETATM  116  H   UNL     1       8.122   2.046   0.095  1.00  0.00           H  
HETATM  117  H   UNL     1       2.798   3.054  -2.576  1.00  0.00           H  
HETATM  118  H   UNL     1       1.579   5.063  -3.307  1.00  0.00           H  
HETATM  119  H   UNL     1       2.560   7.293  -2.966  1.00  0.00           H  
HETATM  120  H   UNL     1       7.880   1.515   4.479  1.00  0.00           H  
HETATM  121  H   UNL     1       9.320   2.215   3.702  1.00  0.00           H  
HETATM  122  H   UNL     1       7.694   2.679   3.145  1.00  0.00           H  
HETATM  123  H   UNL     1       8.418  -0.320  -0.095  1.00  0.00           H  
HETATM  124  H   UNL     1       7.151  -1.353  -0.798  1.00  0.00           H  
HETATM  125  H   UNL     1       3.701   1.581  -2.043  1.00  0.00           H  
HETATM  126  H   UNL     1       5.999   5.528  -1.167  1.00  0.00           H  
HETATM  127  H   UNL     1       4.765   7.526  -1.899  1.00  0.00           H  
CONECT    1    7    2    6                                            
CONECT    2    3    1    5   61                                       
CONECT    3   10    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5    2    8    9   62                                       
CONECT    6    1   63   64   65                                       
CONECT    7    1   67   68   66                                       
CONECT    8    5   70   71   69                                       
CONECT    9    5   74   72   73                                       
CONECT   10   11    3   75                                            
CONECT   11   14   12   10   76                                       
CONECT   12   18   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   15   11   77   78                                       
CONECT   15   17   16   14   79                                       
CONECT   16   15   80   81   82                                       
CONECT   17   15   83   84   85                                       
CONECT   18   19   12   86                                            
CONECT   19   20   22   18   87                                       
CONECT   20   21   21   28   19                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   88   89                                       
CONECT   23   24   22   25   90                                       
CONECT   24   23   91   92   93                                       
CONECT   25   23   94   95   96                                       
CONECT   26   39   39   27   52                                       
CONECT   27   38   26   97   98                                       
CONECT   28   29   20   99                                            
CONECT   29   38   28   30  100                                       
CONECT   30   29   31  101  102                                       
CONECT   31   30   32  103  104                                       
CONECT   32   33   31   37   37                                       
CONECT   33   34   34   32  105                                       
CONECT   34   33   33   35  106                                       
CONECT   35   34   36   36  107                                       
CONECT   36   35   35   37  108                                       
CONECT   37   32   32   36  109                                       
CONECT   38   29   27  110  111                                       
CONECT   39   26   26                                                 
CONECT   40   43   54   41   41                                       
CONECT   41   42   40   40  112                                       
CONECT   42   52   53   53   41                                       
CONECT   43   56   52   40  113                                       
CONECT   44   56   45   45   48                                       
CONECT   45   44   44   57  114                                       
CONECT   46   57   57   47   58                                       
CONECT   47   48   48   46  115                                       
CONECT   48   44   47   47  116                                       
CONECT   49   58   58   50  117                                       
CONECT   50   49   51   51  118                                       
CONECT   51   50   50   60  119                                       
CONECT   52   26   43   42                                            
CONECT   53   42   42                                                 
CONECT   54   40   55                                                 
CONECT   55   54  120  121  122                                       
CONECT   56   43   44  123  124                                       
CONECT   57   45   46   46  125                                       
CONECT   58   46   49   49   59                                       
CONECT   59   58   60   60  126                                       
CONECT   60   59   59   51  127                                       
CONECT   61    2                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71    8                                                      
CONECT   72    9                                                      
CONECT   73    9                                                      
CONECT   74    9                                                      
CONECT   75   10                                                      
CONECT   76   11                                                      
CONECT   77   14                                                      
CONECT   78   14                                                      
CONECT   79   15                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   16                                                      
CONECT   83   17                                                      
CONECT   84   17                                                      
CONECT   85   17                                                      
CONECT   86   18                                                      
CONECT   87   19                                                      
CONECT   88   22                                                      
CONECT   89   22                                                      
CONECT   90   23                                                      
CONECT   91   24                                                      
CONECT   92   24                                                      
CONECT   93   24                                                      
CONECT   94   25                                                      
CONECT   95   25                                                      
CONECT   96   25                                                      
CONECT   97   27                                                      
CONECT   98   27                                                      
CONECT   99   28                                                      
CONECT  100   29                                                      
CONECT  101   30                                                      
CONECT  102   30                                                      
CONECT  103   31                                                      
CONECT  104   31                                                      
CONECT  105   33                                                      
CONECT  106   34                                                      
CONECT  107   35                                                      
CONECT  108   36                                                      
CONECT  109   37                                                      
CONECT  110   38                                                      
CONECT  111   38                                                      
CONECT  112   41                                                      
CONECT  113   43                                                      
CONECT  114   45                                                      
CONECT  115   47                                                      
CONECT  116   48                                                      
CONECT  117   49                                                      
CONECT  118   50                                                      
CONECT  119   51                                                      
CONECT  120   55                                                      
CONECT  121   55                                                      
CONECT  122   55                                                      
CONECT  123   56                                                      
CONECT  124   56                                                      
CONECT  125   57                                                      
CONECT  126   59                                                      
CONECT  127   60                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
