COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.881  -1.723  -0.430  1.00  0.00           C  
HETATM    2  C   UNL     1       1.671  -1.212  -2.872  1.00  0.00           C  
HETATM    3  C   UNL     1       3.926  -2.704  -3.448  1.00  0.00           C  
HETATM    4  C   UNL     1       3.482  -2.599  -2.143  1.00  0.00           C  
HETATM    5  C   UNL     1       0.387  -2.045  -0.363  1.00  0.00           C  
HETATM    6  C   UNL     1       6.572  -1.223   1.770  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.958  -0.618  -0.449  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.838   1.141  -2.072  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.554   1.672  -3.314  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.880   2.964  -3.779  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.481   0.629  -4.431  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.020   1.955  -2.976  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.832   2.182  -0.984  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.452   2.246  -1.196  1.00  0.00           C  
HETATM   15  C   UNL     1       0.359   1.355  -0.292  1.00  0.00           C  
HETATM   16  C   UNL     1       2.118  -0.294   0.063  1.00  0.00           C  
HETATM   17  C   UNL     1       2.358  -1.848  -1.854  1.00  0.00           C  
HETATM   18  C   UNL     1       2.109  -1.327  -4.178  1.00  0.00           C  
HETATM   19  C   UNL     1       3.236  -2.073  -4.466  1.00  0.00           C  
HETATM   20  C   UNL     1       3.591   0.017   0.012  1.00  0.00           C  
HETATM   21  C   UNL     1       5.849  -0.188   0.905  1.00  0.00           C  
HETATM   22  C   UNL     1       6.322  -2.602   1.216  1.00  0.00           C  
HETATM   23  C   UNL     1       6.579  -4.971   1.228  1.00  0.00           C  
HETATM   24  C   UNL     1       6.197   1.198   1.385  1.00  0.00           C  
HETATM   25  C   UNL     1       6.144   2.968   2.731  1.00  0.00           C  
HETATM   26  C   UNL     1       7.000   3.479   1.841  1.00  0.00           C  
HETATM   27  C   UNL     1       0.347   3.511  -1.515  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.522   4.471  -2.332  1.00  0.00           C  
HETATM   29  C   UNL     1       0.769   4.191  -0.211  1.00  0.00           C  
HETATM   30  C   UNL     1       1.592   3.139  -2.323  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.626  -1.694   0.355  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.729  -2.967  -0.491  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.263  -4.111   0.374  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.024  -6.841   0.551  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.046  -0.336   1.778  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.796   0.154   2.432  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.570  -0.422   3.834  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.872  -0.883   4.486  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.957   0.742   4.642  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.922   1.951   3.685  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.540   2.437   1.810  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.918   3.388   0.808  1.00  0.00           C  
HETATM   43  N   UNL     1      -3.583  -0.018  -1.500  1.00  0.00           N  
HETATM   44  N   UNL     1      -1.702   2.614  -0.526  1.00  0.00           N  
HETATM   45  N   UNL     1       1.390   0.645  -0.794  1.00  0.00           N  
HETATM   46  N   UNL     1       4.402  -0.391   1.008  1.00  0.00           N  
HETATM   47  N   UNL     1       5.735   1.746   2.457  1.00  0.00           N  
HETATM   48  N   UNL     1      -4.987  -1.257   0.757  1.00  0.00           N  
HETATM   49  N   UNL     1      -3.829   1.622   2.580  1.00  0.00           N  
HETATM   50  N   UNL     1      -4.030   2.668  -0.494  1.00  0.00           N  
HETATM   51  O   UNL     1      -1.827  -0.282  -0.160  1.00  0.00           O  
HETATM   52  O   UNL     1       6.862  -3.674   1.816  1.00  0.00           O  
HETATM   53  O   UNL     1       5.637  -2.743   0.231  1.00  0.00           O  
HETATM   54  O   UNL     1       4.048   0.636  -0.927  1.00  0.00           O  
HETATM   55  O   UNL     1       0.085   1.276   0.887  1.00  0.00           O  
HETATM   56  O   UNL     1      -5.745   2.431   1.864  1.00  0.00           O  
HETATM   57  O   UNL     1      -6.142   0.076   2.117  1.00  0.00           O  
HETATM   58  S   UNL     1       7.267   2.269   0.589  1.00  0.00           S  
HETATM   59  S   UNL     1      -4.385  -5.619  -0.627  1.00  0.00           S  
HETATM   60  H   UNL     1       2.432  -2.421   0.200  1.00  0.00           H  
HETATM   61  H   UNL     1       0.791  -0.629  -2.646  1.00  0.00           H  
HETATM   62  H   UNL     1       4.807  -3.287  -3.674  1.00  0.00           H  
HETATM   63  H   UNL     1       4.022  -3.092  -1.348  1.00  0.00           H  
HETATM   64  H   UNL     1       0.232  -3.100  -0.591  1.00  0.00           H  
HETATM   65  H   UNL     1       0.014  -1.832   0.639  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.150  -1.434  -1.088  1.00  0.00           H  
HETATM   67  H   UNL     1       7.642  -1.017   1.764  1.00  0.00           H  
HETATM   68  H   UNL     1       6.197  -1.169   2.792  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.819   0.849  -2.318  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.883   3.689  -2.964  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.852   2.752  -4.072  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.424   3.373  -4.630  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.991   1.007  -5.316  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.437   0.427  -4.671  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.961  -0.292  -4.100  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.097   2.917  -2.470  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.606   1.979  -3.895  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.400   1.169  -2.323  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.678   1.716  -2.122  1.00  0.00           H  
HETATM   80  H   UNL     1       1.762  -0.201   1.089  1.00  0.00           H  
HETATM   81  H   UNL     1       1.569  -0.834  -4.973  1.00  0.00           H  
HETATM   82  H   UNL     1       3.583  -2.155  -5.486  1.00  0.00           H  
HETATM   83  H   UNL     1       6.159  -0.302  -0.133  1.00  0.00           H  
HETATM   84  H   UNL     1       7.074  -5.749   1.809  1.00  0.00           H  
HETATM   85  H   UNL     1       5.503  -5.145   1.231  1.00  0.00           H  
HETATM   86  H   UNL     1       6.949  -4.994   0.203  1.00  0.00           H  
HETATM   87  H   UNL     1       5.814   3.513   3.603  1.00  0.00           H  
HETATM   88  H   UNL     1       7.448   4.461   1.881  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.460   4.648  -1.806  1.00  0.00           H  
HETATM   90  H   UNL     1       0.005   5.416  -2.464  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.730   4.031  -3.308  1.00  0.00           H  
HETATM   92  H   UNL     1       1.388   3.507   0.370  1.00  0.00           H  
HETATM   93  H   UNL     1       1.338   5.092  -0.438  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.118   4.456   0.364  1.00  0.00           H  
HETATM   95  H   UNL     1       1.308   2.486  -3.148  1.00  0.00           H  
HETATM   96  H   UNL     1       2.054   4.044  -2.717  1.00  0.00           H  
HETATM   97  H   UNL     1       2.301   2.620  -1.678  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.030  -1.908   1.243  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.409  -2.795  -1.326  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.743  -3.230  -0.873  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.584  -4.283   1.209  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.249  -3.848   0.756  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.140  -7.802   0.051  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.326  -6.945   1.382  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.991  -6.510   0.929  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.928  -0.094   1.816  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.859  -1.252   3.792  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.331  -1.657   3.872  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.660  -1.283   5.477  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.553  -0.037   4.573  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.582   0.967   5.505  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.948   0.486   4.960  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.263   2.846   4.201  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.909   2.095   3.309  1.00  0.00           H  
HETATM  115  H   UNL     1      -4.490   4.315   0.781  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.886   3.583   1.074  1.00  0.00           H  
HETATM  117  H   UNL     1      -4.437  -0.314  -1.850  1.00  0.00           H  
HETATM  118  H   UNL     1       1.649   0.756  -1.722  1.00  0.00           H  
HETATM  119  H   UNL     1       4.027  -0.819   1.794  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.793  -1.599   0.326  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.882   2.555  -0.956  1.00  0.00           H  
CONECT    1   16   17    5   60                                       
CONECT    2   17   18   18   61                                       
CONECT    3    4   19   19   62                                       
CONECT    4   17   17    3   63                                       
CONECT    5    1   64   65   66                                       
CONECT    6   22   21   67   68                                       
CONECT    7   43   31   51   51                                       
CONECT    8    9   43   13   69                                       
CONECT    9   11   10   12    8                                       
CONECT   10    9   70   71   72                                       
CONECT   11    9   73   74   75                                       
CONECT   12    9   76   77   78                                       
CONECT   13    8   50   44   44                                       
CONECT   14   44   27   15   79                                       
CONECT   15   14   55   55   45                                       
CONECT   16   45   20    1   80                                       
CONECT   17    1    4    4    2                                       
CONECT   18    2    2   19   81                                       
CONECT   19    3    3   18   82                                       
CONECT   20   46   54   54   16                                       
CONECT   21    6   24   46   83                                       
CONECT   22   52   53   53    6                                       
CONECT   23   52   84   85   86                                       
CONECT   24   47   47   21   58                                       
CONECT   25   47   26   26   87                                       
CONECT   26   25   25   58   88                                       
CONECT   27   14   28   30   29                                       
CONECT   28   27   89   90   91                                       
CONECT   29   27   92   93   94                                       
CONECT   30   27   95   96   97                                       
CONECT   31   32    7   48   98                                       
CONECT   32   33   31   99  100                                       
CONECT   33   59   32  101  102                                       
CONECT   34   59  103  104  105                                       
CONECT   35   48   57   57   36                                       
CONECT   36   35   49   37  106                                       
CONECT   37   39   38   36  107                                       
CONECT   38   37  108  109  110                                       
CONECT   39   40   37  111  112                                       
CONECT   40   39   49  113  114                                       
CONECT   41   42   49   56   56                                       
CONECT   42   50   41  115  116                                       
CONECT   43    8    7  117                                            
CONECT   44   13   13   14                                            
CONECT   45   15   16  118                                            
CONECT   46   21   20  119                                            
CONECT   47   25   24   24                                            
CONECT   48   31   35  120                                            
CONECT   49   40   41   36                                            
CONECT   50   13   42  121                                            
CONECT   51    7    7                                                 
CONECT   52   23   22                                                 
CONECT   53   22   22                                                 
CONECT   54   20   20                                                 
CONECT   55   15   15                                                 
CONECT   56   41   41                                                 
CONECT   57   35   35                                                 
CONECT   58   24   26                                                 
CONECT   59   34   33                                                 
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    5                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    6                                                      
CONECT   69    8                                                      
CONECT   70   10                                                      
CONECT   71   10                                                      
CONECT   72   10                                                      
CONECT   73   11                                                      
CONECT   74   11                                                      
CONECT   75   11                                                      
CONECT   76   12                                                      
CONECT   77   12                                                      
CONECT   78   12                                                      
CONECT   79   14                                                      
CONECT   80   16                                                      
CONECT   81   18                                                      
CONECT   82   19                                                      
CONECT   83   21                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   23                                                      
CONECT   87   25                                                      
CONECT   88   26                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   30                                                      
CONECT   98   31                                                      
CONECT   99   32                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   34                                                      
CONECT  105   34                                                      
CONECT  106   36                                                      
CONECT  107   37                                                      
CONECT  108   38                                                      
CONECT  109   38                                                      
CONECT  110   38                                                      
CONECT  111   39                                                      
CONECT  112   39                                                      
CONECT  113   40                                                      
CONECT  114   40                                                      
CONECT  115   42                                                      
CONECT  116   42                                                      
CONECT  117   43                                                      
CONECT  118   45                                                      
CONECT  119   46                                                      
CONECT  120   48                                                      
CONECT  121   50                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
