COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.252  -1.800   0.596  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.534  -2.964   0.290  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.174  -3.020   0.515  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.225  -5.243  -0.326  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.510  -1.916   1.048  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.067  -2.589   1.238  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.444  -2.415  -0.123  1.00  0.00           C  
HETATM    8  C   UNL     1       0.836  -2.158  -0.229  1.00  0.00           C  
HETATM    9  C   UNL     1       4.507  -1.256  -0.856  1.00  0.00           C  
HETATM   10  C   UNL     1       5.411  -3.350  -0.182  1.00  0.00           C  
HETATM   11  C   UNL     1       5.748  -0.705  -0.608  1.00  0.00           C  
HETATM   12  C   UNL     1       5.967   0.662  -0.818  1.00  0.00           C  
HETATM   13  C   UNL     1       7.298   1.244  -0.550  1.00  0.00           C  
HETATM   14  C   UNL     1       4.935   1.475  -1.278  1.00  0.00           C  
HETATM   15  C   UNL     1       3.680   0.922  -1.531  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.134   1.897  -2.826  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.097   3.254  -3.663  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.425   4.602  -3.732  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.910   1.018  -4.029  1.00  0.00           C  
HETATM   20  C   UNL     1       0.173   2.172   3.246  1.00  0.00           C  
HETATM   21  C   UNL     1       0.268   3.440   3.738  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.864   4.421   3.901  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.488   4.255   5.288  1.00  0.00           C  
HETATM   24  C   UNL     1       2.241   2.583   3.765  1.00  0.00           C  
HETATM   25  C   UNL     1       3.726   2.421   3.970  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.223  -0.745   1.357  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.598  -0.693   1.128  1.00  0.00           C  
HETATM   28  O   UNL     1      -8.332  -0.738   0.610  1.00  0.00           O  
HETATM   29  C   UNL     1      -7.706  -1.747   0.346  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.341  -2.816  -0.175  1.00  0.00           N  
HETATM   31  O   UNL     1      -3.481  -4.151   0.217  1.00  0.00           O  
HETATM   32  N   UNL     1      -3.328   0.148   1.854  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.135  -0.389   1.869  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.986   0.240   2.313  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.046   1.505   2.775  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.110   2.093   2.802  1.00  0.00           O  
HETATM   37  O   UNL     1       1.421   1.650   3.271  1.00  0.00           O  
HETATM   38  N   UNL     1       1.550   3.654   4.050  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.193  -1.663   1.382  1.00  0.00           N  
HETATM   40  C   UNL     1       1.460  -1.984  -1.590  1.00  0.00           C  
HETATM   41  N   UNL     1       2.148  -0.692  -1.650  1.00  0.00           N  
HETATM   42  C   UNL     1       1.604   0.497  -2.045  1.00  0.00           C  
HETATM   43  N   UNL     1       0.296   0.674  -2.457  1.00  0.00           N  
HETATM   44  O   UNL     1       0.628   2.845  -2.796  1.00  0.00           O  
HETATM   45  C   UNL     1      -1.521   2.085  -3.263  1.00  0.00           C  
HETATM   46  O   UNL     1      -2.478   1.131  -3.349  1.00  0.00           O  
HETATM   47  C   UNL     1      -3.596   1.716  -3.788  1.00  0.00           C  
HETATM   48  N   UNL     1      -3.369   2.988  -3.977  1.00  0.00           N  
HETATM   49  C   UNL     1      -1.590   5.323  -2.393  1.00  0.00           C  
HETATM   50  N   UNL     1       2.505   1.443  -1.974  1.00  0.00           N  
HETATM   51  C   UNL     1       3.468  -0.451  -1.317  1.00  0.00           C  
HETATM   52  O   UNL     1       8.201   0.536  -0.148  1.00  0.00           O  
HETATM   53  N   UNL     1       7.511   2.559  -0.751  1.00  0.00           N  
HETATM   54  O   UNL     1       4.300  -2.585  -0.656  1.00  0.00           O  
HETATM   55  C   UNL     1       4.990  -4.812  -0.018  1.00  0.00           C  
HETATM   56  C   UNL     1       6.178  -5.631   0.489  1.00  0.00           C  
HETATM   57  O   UNL     1       5.785  -6.996   0.642  1.00  0.00           O  
HETATM   58  H   UNL     1      -6.046  -3.820  -0.123  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.993  -5.549   0.385  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.696  -4.934  -1.259  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.554  -6.081  -0.518  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.424  -3.614   1.345  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.324  -2.381   2.007  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.053  -2.501  -1.011  1.00  0.00           H  
HETATM   65  H   UNL     1       1.445  -2.072   0.659  1.00  0.00           H  
HETATM   66  H   UNL     1       6.229  -3.286  -0.899  1.00  0.00           H  
HETATM   67  H   UNL     1       5.739  -2.956   0.780  1.00  0.00           H  
HETATM   68  H   UNL     1       6.553  -1.330  -0.251  1.00  0.00           H  
HETATM   69  H   UNL     1       5.106   2.529  -1.439  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.365   4.468  -3.944  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.882   5.195  -4.523  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.809  -0.040  -3.787  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.679   1.463  -3.396  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.194   1.127  -5.076  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.484   5.437   3.793  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.620   4.234   3.138  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.868   3.239   5.396  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.732   4.442   6.051  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.307   4.964   5.406  1.00  0.00           H  
HETATM   80  H   UNL     1       3.913   2.020   4.966  1.00  0.00           H  
HETATM   81  H   UNL     1       4.123   1.735   3.221  1.00  0.00           H  
HETATM   82  H   UNL     1       4.214   3.390   3.870  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.154   0.203   1.363  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.296  -2.780  -0.339  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.842  -3.620  -0.386  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.137  -0.229   2.292  1.00  0.00           H  
HETATM   87  H   UNL     1       2.176  -2.786  -1.767  1.00  0.00           H  
HETATM   88  H   UNL     1       0.682  -2.017  -2.353  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.311  -0.082  -2.481  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.133   4.729  -1.601  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.104   6.297  -2.443  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.651   5.457  -2.181  1.00  0.00           H  
HETATM   93  H   UNL     1       6.791   3.124  -1.072  1.00  0.00           H  
HETATM   94  H   UNL     1       8.385   2.941  -0.575  1.00  0.00           H  
HETATM   95  H   UNL     1       4.172  -4.876   0.699  1.00  0.00           H  
HETATM   96  H   UNL     1       4.661  -5.205  -0.980  1.00  0.00           H  
HETATM   97  H   UNL     1       6.997  -5.567  -0.228  1.00  0.00           H  
HETATM   98  H   UNL     1       6.507  -5.237   1.451  1.00  0.00           H  
HETATM   99  H   UNL     1       6.491  -7.575   0.961  1.00  0.00           H  
CONECT    1   29   27   27    2                                       
CONECT    2    1    3    3   58                                       
CONECT    3    2    2    5   31                                       
CONECT    4   31   59   60   61                                       
CONECT    5   26   26    3   39                                       
CONECT    6    7   39   62   63                                       
CONECT    7    8    8    6   64                                       
CONECT    8   40    7    7   65                                       
CONECT    9   54   51   51   11                                       
CONECT   10   55   54   66   67                                       
CONECT   11    9   12   12   68                                       
CONECT   12   11   11   14   13                                       
CONECT   13   12   52   52   53                                       
CONECT   14   15   15   12   69                                       
CONECT   15   51   50   14   14                                       
CONECT   16   43   45   44   44                                       
CONECT   17   18   48   45   45                                       
CONECT   18   49   17   70   71                                       
CONECT   19   47   72   73   74                                       
CONECT   20   37   35   21   21                                       
CONECT   21   20   20   38   22                                       
CONECT   22   21   23   75   76                                       
CONECT   23   22   77   78   79                                       
CONECT   24   25   37   38   38                                       
CONECT   25   24   80   81   82                                       
CONECT   26   27   32    5    5                                       
CONECT   27    1    1   26   83                                       
CONECT   28   29   29                                                 
CONECT   29   28   28    1   30                                       
CONECT   30   29   84   85                                            
CONECT   31    3    4                                                 
CONECT   32   26   33   33                                            
CONECT   33   32   32   34   39                                       
CONECT   34   35   33   86                                            
CONECT   35   36   36   20   34                                       
CONECT   36   35   35                                                 
CONECT   37   24   20                                                 
CONECT   38   24   24   21                                            
CONECT   39   33    5    6                                            
CONECT   40   41    8   87   88                                       
CONECT   41   40   51   42                                            
CONECT   42   41   43   50   50                                       
CONECT   43   42   16   89                                            
CONECT   44   16   16                                                 
CONECT   45   17   17   16   46                                       
CONECT   46   45   47                                                 
CONECT   47   48   48   46   19                                       
CONECT   48   17   47   47                                            
CONECT   49   18   90   91   92                                       
CONECT   50   42   42   15                                            
CONECT   51   41    9    9   15                                       
CONECT   52   13   13                                                 
CONECT   53   13   93   94                                            
CONECT   54   10    9                                                 
CONECT   55   56   10   95   96                                       
CONECT   56   57   55   97   98                                       
CONECT   57   56   99                                                 
CONECT   58    2                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   14                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   27                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   34                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   43                                                      
CONECT   90   49                                                      
CONECT   91   49                                                      
CONECT   92   49                                                      
CONECT   93   53                                                      
CONECT   94   53                                                      
CONECT   95   55                                                      
CONECT   96   55                                                      
CONECT   97   56                                                      
CONECT   98   56                                                      
CONECT   99   57                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
