COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.278  -3.182   0.481  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.039   3.906   1.066  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.001   3.856  -1.529  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.040  -3.982   1.267  1.00  0.00           O  
HETATM    5  O   UNL     1       3.704   1.441  -1.190  1.00  0.00           O  
HETATM    6  O   UNL     1      -3.739  -1.552   0.966  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.664   1.804  -0.537  1.00  0.00           C  
HETATM    8  C   UNL     1       1.625  -1.925   0.287  1.00  0.00           C  
HETATM    9  C   UNL     1       5.925  -2.066  -0.151  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.958   1.960  -0.054  1.00  0.00           C  
HETATM   11  C   UNL     1       3.113   4.649  -0.739  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.153  -4.769   0.473  1.00  0.00           C  
HETATM   13  C   UNL     1       4.425  -2.180   0.129  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.461   2.068  -0.351  1.00  0.00           C  
HETATM   15  C   UNL     1       6.633  -3.328   0.344  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.668   3.224  -0.544  1.00  0.00           C  
HETATM   17  C   UNL     1       3.928   5.823  -1.285  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.969  -5.945   1.014  1.00  0.00           C  
HETATM   19  C   UNL     1      10.233  -4.365  -0.051  1.00  0.00           C  
HETATM   20  C   UNL     1      10.158  -2.011   0.509  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.854   2.931   1.443  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.350   4.009  -0.667  1.00  0.00           C  
HETATM   23  C   UNL     1       5.858   8.472   0.573  1.00  0.00           C  
HETATM   24  C   UNL     1       3.765   8.131   1.687  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.898  -8.585  -0.857  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.804  -8.240  -1.968  1.00  0.00           C  
HETATM   27  C   UNL     1       8.753  -4.499   0.316  1.00  0.00           C  
HETATM   28  C   UNL     1       8.679  -2.145   0.876  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.357   3.121   1.188  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.853   4.198  -0.922  1.00  0.00           C  
HETATM   31  C   UNL     1       5.364   7.660  -0.628  1.00  0.00           C  
HETATM   32  C   UNL     1       3.250   7.315   0.498  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.405  -7.778   0.347  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.290  -7.430  -0.775  1.00  0.00           C  
HETATM   35  C   UNL     1       2.636   3.775  -1.900  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.677  -3.900   1.639  1.00  0.00           C  
HETATM   37  N   UNL     1       3.746  -0.971  -0.345  1.00  0.00           N  
HETATM   38  N   UNL     1      -3.782   0.858   0.119  1.00  0.00           N  
HETATM   39  C   UNL     1       2.375  -0.844  -0.199  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.413   0.726  -0.042  1.00  0.00           C  
HETATM   41  C   UNL     1       0.525   2.803  -1.229  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.565  -2.926   0.973  1.00  0.00           C  
HETATM   43  C   UNL     1       2.499   1.515  -1.048  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.536  -1.631   0.812  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.295   1.694  -0.706  1.00  0.00           C  
HETATM   46  C   UNL     1       0.256  -1.816   0.455  1.00  0.00           C  
HETATM   47  C   UNL     1       1.751   0.358  -0.536  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.789  -0.477   0.291  1.00  0.00           C  
HETATM   49  C   UNL     1       0.353   0.481  -0.368  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.391  -0.600   0.123  1.00  0.00           C  
HETATM   51  N   UNL     1      10.838  -3.292   0.750  1.00  0.00           N  
HETATM   52  N   UNL     1     -10.601   4.010   0.781  1.00  0.00           N  
HETATM   53  O   UNL     1       4.738   9.073   1.228  1.00  0.00           O  
HETATM   54  O   UNL     1      -4.777  -9.184  -1.514  1.00  0.00           O  
HETATM   55  N   UNL     1       8.073  -3.219   0.075  1.00  0.00           N  
HETATM   56  N   UNL     1      -8.105   3.120  -0.260  1.00  0.00           N  
HETATM   57  N   UNL     1       4.386   6.662  -0.170  1.00  0.00           N  
HETATM   58  N   UNL     1      -4.426  -6.780  -0.106  1.00  0.00           N  
HETATM   59  N   UNL     1       1.855   2.651  -1.377  1.00  0.00           N  
HETATM   60  N   UNL     1      -1.895  -2.774   1.121  1.00  0.00           N  
HETATM   61  H   UNL     1      12.435  -2.961  -0.574  1.00  0.00           H  
HETATM   62  H   UNL     1      12.701  -2.381   1.087  1.00  0.00           H  
HETATM   63  H   UNL     1      12.767  -4.124   0.732  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.427   2.978   0.644  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.197   3.908   2.144  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.560   4.753   0.620  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.161   2.727  -0.794  1.00  0.00           H  
HETATM   68  H   UNL     1       2.122  -2.849   0.542  1.00  0.00           H  
HETATM   69  H   UNL     1       6.087  -1.955  -1.223  1.00  0.00           H  
HETATM   70  H   UNL     1       6.326  -1.196   0.369  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.369   1.091  -0.568  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.109   1.852   1.020  1.00  0.00           H  
HETATM   73  H   UNL     1       3.734   4.056  -0.068  1.00  0.00           H  
HETATM   74  H   UNL     1       2.249   5.030  -0.193  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.289  -5.148  -0.074  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.773  -4.173  -0.196  1.00  0.00           H  
HETATM   77  H   UNL     1       4.023  -3.049  -0.391  1.00  0.00           H  
HETATM   78  H   UNL     1       4.263  -2.291   1.201  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.310   2.176  -1.425  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.051   2.938   0.163  1.00  0.00           H  
HETATM   81  H   UNL     1       6.471  -3.439   1.416  1.00  0.00           H  
HETATM   82  H   UNL     1       6.232  -4.198  -0.176  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.258   4.093  -0.030  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.517   3.332  -1.618  1.00  0.00           H  
HETATM   85  H   UNL     1       4.792   5.442  -1.831  1.00  0.00           H  
HETATM   86  H   UNL     1       3.307   6.416  -1.956  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.349  -6.541   1.682  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.833  -5.566   1.560  1.00  0.00           H  
HETATM   89  H   UNL     1      10.745  -5.305   0.155  1.00  0.00           H  
HETATM   90  H   UNL     1      10.325  -4.125  -1.110  1.00  0.00           H  
HETATM   91  H   UNL     1      10.250  -1.744  -0.544  1.00  0.00           H  
HETATM   92  H   UNL     1      10.616  -1.235   1.122  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.172   1.969   1.042  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.047   2.960   2.516  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.904   4.824  -1.132  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.674   3.059  -1.092  1.00  0.00           H  
HETATM   97  H   UNL     1       6.376   7.813   1.269  1.00  0.00           H  
HETATM   98  H   UNL     1       6.540   9.249   0.231  1.00  0.00           H  
HETATM   99  H   UNL     1       2.934   8.662   2.151  1.00  0.00           H  
HETATM  100  H   UNL     1       4.222   7.463   2.417  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.581  -9.364  -0.519  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.415  -7.923  -1.551  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.260  -7.568  -2.695  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.973  -8.769  -2.434  1.00  0.00           H  
HETATM  105  H   UNL     1       8.295  -5.275  -0.297  1.00  0.00           H  
HETATM  106  H   UNL     1       8.662  -4.766   1.369  1.00  0.00           H  
HETATM  107  H   UNL     1       8.587  -2.386   1.935  1.00  0.00           H  
HETATM  108  H   UNL     1       8.167  -1.205   0.670  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.033   4.070   1.613  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.803   2.306   1.654  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.660   4.169  -1.994  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.534   5.161  -0.521  1.00  0.00           H  
HETATM  113  H   UNL     1       4.893   8.327  -1.350  1.00  0.00           H  
HETATM  114  H   UNL     1       6.208   7.154  -1.097  1.00  0.00           H  
HETATM  115  H   UNL     1       2.551   6.558   0.851  1.00  0.00           H  
HETATM  116  H   UNL     1       2.745   7.977  -0.205  1.00  0.00           H  
HETATM  117  H   UNL     1      -6.249  -7.273   0.817  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.935  -8.449   1.067  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.786  -8.095  -0.074  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.590  -6.672  -1.125  1.00  0.00           H  
HETATM  121  H   UNL     1       2.015   4.368  -2.571  1.00  0.00           H  
HETATM  122  H   UNL     1       3.500   3.394  -2.446  1.00  0.00           H  
HETATM  123  H   UNL     1      -3.541  -3.521   2.185  1.00  0.00           H  
HETATM  124  H   UNL     1      -2.057  -4.496   2.307  1.00  0.00           H  
HETATM  125  H   UNL     1       4.258  -0.259  -0.761  1.00  0.00           H  
HETATM  126  H   UNL     1      -4.291   0.149   0.542  1.00  0.00           H  
CONECT    1   51   61   62   63                                       
CONECT    2   52   64   65   66                                       
CONECT    3   41   41                                                 
CONECT    4   42   42                                                 
CONECT    5   43   43                                                 
CONECT    6   44   44                                                 
CONECT    7   40   40   45   67                                       
CONECT    8   46   46   39   68                                       
CONECT    9   13   15   69   70                                       
CONECT   10   16   14   71   72                                       
CONECT   11   35   17   73   74                                       
CONECT   12   18   36   75   76                                       
CONECT   13    9   37   77   78                                       
CONECT   14   10   38   79   80                                       
CONECT   15    9   55   81   82                                       
CONECT   16   10   56   83   84                                       
CONECT   17   11   57   85   86                                       
CONECT   18   12   58   87   88                                       
CONECT   19   27   51   89   90                                       
CONECT   20   28   51   91   92                                       
CONECT   21   52   29   93   94                                       
CONECT   22   52   30   95   96                                       
CONECT   23   31   53   97   98                                       
CONECT   24   32   53   99  100                                       
CONECT   25   33   54  101  102                                       
CONECT   26   54   34  103  104                                       
CONECT   27   19   55  105  106                                       
CONECT   28   20   55  107  108                                       
CONECT   29   21   56  109  110                                       
CONECT   30   22   56  111  112                                       
CONECT   31   23   57  113  114                                       
CONECT   32   24   57  115  116                                       
CONECT   33   25   58  117  118                                       
CONECT   34   26   58  119  120                                       
CONECT   35   11   59  121  122                                       
CONECT   36   12   60  123  124                                       
CONECT   37   13   39  125                                            
CONECT   38   14   40  126                                            
CONECT   39    8   37   47   47                                       
CONECT   40    7    7   38   48                                       
CONECT   41    3    3   45   59                                       
CONECT   42    4    4   60   46                                       
CONECT   43    5    5   59   47                                       
CONECT   44    6    6   48   60                                       
CONECT   45    7   41   49   49                                       
CONECT   46    8    8   42   50                                       
CONECT   47   39   39   43   49                                       
CONECT   48   40   44   50   50                                       
CONECT   49   45   45   47   50                                       
CONECT   50   46   48   48   49                                       
CONECT   51    1   19   20                                            
CONECT   52    2   21   22                                            
CONECT   53   23   24                                                 
CONECT   54   25   26                                                 
CONECT   55   15   27   28                                            
CONECT   56   16   29   30                                            
CONECT   57   17   31   32                                            
CONECT   58   18   33   34                                            
CONECT   59   35   41   43                                            
CONECT   60   36   42   44                                            
CONECT   61    1                                                      
CONECT   62    1                                                      
CONECT   63    1                                                      
CONECT   64    2                                                      
CONECT   65    2                                                      
CONECT   66    2                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70    9                                                      
CONECT   71   10                                                      
CONECT   72   10                                                      
CONECT   73   11                                                      
CONECT   74   11                                                      
CONECT   75   12                                                      
CONECT   76   12                                                      
CONECT   77   13                                                      
CONECT   78   13                                                      
CONECT   79   14                                                      
CONECT   80   14                                                      
CONECT   81   15                                                      
CONECT   82   15                                                      
CONECT   83   16                                                      
CONECT   84   16                                                      
CONECT   85   17                                                      
CONECT   86   17                                                      
CONECT   87   18                                                      
CONECT   88   18                                                      
CONECT   89   19                                                      
CONECT   90   19                                                      
CONECT   91   20                                                      
CONECT   92   20                                                      
CONECT   93   21                                                      
CONECT   94   21                                                      
CONECT   95   22                                                      
CONECT   96   22                                                      
CONECT   97   23                                                      
CONECT   98   23                                                      
CONECT   99   24                                                      
CONECT  100   24                                                      
CONECT  101   25                                                      
CONECT  102   25                                                      
CONECT  103   26                                                      
CONECT  104   26                                                      
CONECT  105   27                                                      
CONECT  106   27                                                      
CONECT  107   28                                                      
CONECT  108   28                                                      
CONECT  109   29                                                      
CONECT  110   29                                                      
CONECT  111   30                                                      
CONECT  112   30                                                      
CONECT  113   31                                                      
CONECT  114   31                                                      
CONECT  115   32                                                      
CONECT  116   32                                                      
CONECT  117   33                                                      
CONECT  118   33                                                      
CONECT  119   34                                                      
CONECT  120   34                                                      
CONECT  121   35                                                      
CONECT  122   35                                                      
CONECT  123   36                                                      
CONECT  124   36                                                      
CONECT  125   37                                                      
CONECT  126   38                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
