COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.120   6.731  -2.029  1.00  0.00           C  
HETATM    2  C   UNL     1       2.925   5.439  -1.882  1.00  0.00           C  
HETATM    3  C   UNL     1       4.193   5.528  -2.735  1.00  0.00           C  
HETATM    4  C   UNL     1       3.311   5.242  -0.415  1.00  0.00           C  
HETATM    5  C   UNL     1       7.699  -1.038   1.767  1.00  0.00           C  
HETATM    6  C   UNL     1       7.743  -2.289   0.888  1.00  0.00           C  
HETATM    7  C   UNL     1       8.557  -3.405   1.580  1.00  0.00           C  
HETATM    8  C   UNL     1       9.312  -4.092   0.421  1.00  0.00           C  
HETATM    9  C   UNL     1       8.866  -3.311  -0.834  1.00  0.00           C  
HETATM   10  C   UNL     1      10.828  -2.101  -1.862  1.00  0.00           C  
HETATM   11  C   UNL     1      11.475  -3.512  -3.376  1.00  0.00           C  
HETATM   12  C   UNL     1      10.374  -4.083  -2.715  1.00  0.00           C  
HETATM   13  C   UNL     1      10.540  -5.931  -4.072  1.00  0.00           C  
HETATM   14  C   UNL     1      12.080  -4.245  -4.411  1.00  0.00           C  
HETATM   15  C   UNL     1       2.078   4.254  -2.350  1.00  0.00           C  
HETATM   16  C   UNL     1       0.944   6.700  -1.087  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.287   5.932  -0.481  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.323   4.927  -0.990  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.540   4.967  -0.102  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.772   4.199   0.503  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.807   3.194  -0.005  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.238   2.059   0.290  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.604   1.732   0.836  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.254   0.651  -0.031  1.00  0.00           C  
HETATM   25  C   UNL     1     -12.641   0.320   0.523  1.00  0.00           C  
HETATM   26  C   UNL     1     -13.291  -0.761  -0.344  1.00  0.00           C  
HETATM   27  C   UNL     1     -14.678  -1.092   0.209  1.00  0.00           C  
HETATM   28  C   UNL     1     -15.328  -2.173  -0.657  1.00  0.00           C  
HETATM   29  C   UNL     1     -16.715  -2.505  -0.104  1.00  0.00           C  
HETATM   30  C   UNL     1     -17.365  -3.585  -0.970  1.00  0.00           C  
HETATM   31  C   UNL     1     -18.753  -3.917  -0.417  1.00  0.00           C  
HETATM   32  C   UNL     1     -19.490  -5.076  -1.090  1.00  0.00           C  
HETATM   33  C   UNL     1     -20.851  -5.273  -0.421  1.00  0.00           C  
HETATM   34  C   UNL     1     -21.560  -6.388  -1.069  1.00  0.00           C  
HETATM   35  C   UNL     1     -22.126  -7.278  -1.586  1.00  0.00           C  
HETATM   36  N   UNL     1       9.984  -3.168  -1.770  1.00  0.00           N  
HETATM   37  N   UNL     1      11.702  -2.305  -2.804  1.00  0.00           N  
HETATM   38  N   UNL     1       9.944  -5.283  -3.093  1.00  0.00           N  
HETATM   39  N   UNL     1      11.580  -5.437  -4.719  1.00  0.00           N  
HETATM   40  N   UNL     1      13.171  -3.737  -5.094  1.00  0.00           N  
HETATM   41  N   UNL     1      -0.104   5.894  -1.345  1.00  0.00           N  
HETATM   42  N   UNL     1      -4.589   4.160  -0.360  1.00  0.00           N  
HETATM   43  N   UNL     1     -19.031  -3.633   0.993  1.00  0.00           N  
HETATM   44  N   UNL     1     -19.542  -2.841   0.188  1.00  0.00           N  
HETATM   45  O   UNL     1       2.953   7.849  -1.714  1.00  0.00           O  
HETATM   46  O   UNL     1       4.063   4.034  -0.278  1.00  0.00           O  
HETATM   47  O   UNL     1       5.537   2.201   0.896  1.00  0.00           O  
HETATM   48  O   UNL     1       6.877  -0.048   1.146  1.00  0.00           O  
HETATM   49  O   UNL     1       8.455  -2.017  -0.339  1.00  0.00           O  
HETATM   50  O   UNL     1       8.932  -5.466   0.320  1.00  0.00           O  
HETATM   51  O   UNL     1       7.684  -4.332   2.229  1.00  0.00           O  
HETATM   52  O   UNL     1       6.703  -5.805   4.173  1.00  0.00           O  
HETATM   53  O   UNL     1       9.100  -5.014   4.204  1.00  0.00           O  
HETATM   54  O   UNL     1       7.307  -3.284   4.610  1.00  0.00           O  
HETATM   55  O   UNL     1       6.072   1.235   3.166  1.00  0.00           O  
HETATM   56  O   UNL     1       7.985   2.229   1.854  1.00  0.00           O  
HETATM   57  O   UNL     1       5.459   4.573   1.755  1.00  0.00           O  
HETATM   58  O   UNL     1       3.406   3.148   2.109  1.00  0.00           O  
HETATM   59  O   UNL     1      -8.824   1.484  -0.695  1.00  0.00           O  
HETATM   60  O   UNL     1      -3.575   5.724   0.845  1.00  0.00           O  
HETATM   61  O   UNL     1       0.942   7.401  -0.097  1.00  0.00           O  
HETATM   62  P   UNL     1       4.634   3.513   1.134  1.00  0.00           P  
HETATM   63  P   UNL     1       6.606   1.401   1.796  1.00  0.00           P  
HETATM   64  P   UNL     1       7.728  -4.617   3.812  1.00  0.00           P  
HETATM   65  S   UNL     1      -8.269   3.241   1.061  1.00  0.00           S  
HETATM   66  H   UNL     1       1.762   6.822  -3.054  1.00  0.00           H  
HETATM   67  H   UNL     1       4.849   6.299  -2.331  1.00  0.00           H  
HETATM   68  H   UNL     1       4.709   4.568  -2.720  1.00  0.00           H  
HETATM   69  H   UNL     1       3.923   5.780  -3.760  1.00  0.00           H  
HETATM   70  H   UNL     1       3.915   6.086  -0.081  1.00  0.00           H  
HETATM   71  H   UNL     1       2.408   5.178   0.193  1.00  0.00           H  
HETATM   72  H   UNL     1       7.286  -1.293   2.743  1.00  0.00           H  
HETATM   73  H   UNL     1       8.709  -0.645   1.891  1.00  0.00           H  
HETATM   74  H   UNL     1       6.732  -2.635   0.671  1.00  0.00           H  
HETATM   75  H   UNL     1       9.258  -2.977   2.296  1.00  0.00           H  
HETATM   76  H   UNL     1      10.390  -4.005   0.562  1.00  0.00           H  
HETATM   77  H   UNL     1       8.028  -3.814  -1.317  1.00  0.00           H  
HETATM   78  H   UNL     1      10.776  -1.215  -1.246  1.00  0.00           H  
HETATM   79  H   UNL     1      10.166  -6.904  -4.354  1.00  0.00           H  
HETATM   80  H   UNL     1       1.706   4.448  -3.356  1.00  0.00           H  
HETATM   81  H   UNL     1       2.688   3.351  -2.356  1.00  0.00           H  
HETATM   82  H   UNL     1       1.236   4.119  -1.671  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.716   6.934  -0.496  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.002   5.674   0.539  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.609   5.185  -2.010  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.894   3.925  -0.975  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.200   5.201   0.488  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.486   3.941   1.523  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.093   3.451  -1.025  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.378   2.191   0.010  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.509   1.369   1.859  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.224   2.628   0.824  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.348   1.015  -1.054  1.00  0.00           H  
HETATM   94  H   UNL     1     -12.546  -0.044   1.546  1.00  0.00           H  
HETATM   95  H   UNL     1     -13.386  -0.397  -1.367  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.671  -1.657  -0.333  1.00  0.00           H  
HETATM   97  H   UNL     1     -14.584  -1.456   1.233  1.00  0.00           H  
HETATM   98  H   UNL     1     -15.423  -1.809  -1.681  1.00  0.00           H  
HETATM   99  H   UNL     1     -16.621  -2.868   0.920  1.00  0.00           H  
HETATM  100  H   UNL     1     -17.335  -1.608  -0.115  1.00  0.00           H  
HETATM  101  H   UNL     1     -17.460  -3.222  -1.994  1.00  0.00           H  
HETATM  102  H   UNL     1     -16.746  -4.482  -0.959  1.00  0.00           H  
HETATM  103  H   UNL     1     -19.634  -4.850  -2.147  1.00  0.00           H  
HETATM  104  H   UNL     1     -18.901  -5.988  -0.991  1.00  0.00           H  
HETATM  105  H   UNL     1     -20.707  -5.499   0.636  1.00  0.00           H  
HETATM  106  H   UNL     1     -21.440  -4.361  -0.520  1.00  0.00           H  
HETATM  107  H   UNL     1     -22.632  -8.073  -2.048  1.00  0.00           H  
HETATM  108  H   UNL     1      13.580  -4.252  -5.807  1.00  0.00           H  
HETATM  109  H   UNL     1      13.527  -2.866  -4.860  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.076   5.288  -2.102  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.560   3.555  -1.117  1.00  0.00           H  
HETATM  112  H   UNL     1       3.308   7.835  -0.815  1.00  0.00           H  
HETATM  113  H   UNL     1       9.377  -5.946  -0.391  1.00  0.00           H  
HETATM  114  H   UNL     1       6.677  -6.031   5.113  1.00  0.00           H  
HETATM  115  H   UNL     1       6.418  -2.966   4.403  1.00  0.00           H  
HETATM  116  H   UNL     1       8.393   2.375   0.990  1.00  0.00           H  
HETATM  117  H   UNL     1       2.822   2.459   1.765  1.00  0.00           H  
HETATM  118  H   UNL     1     -10.634  -0.245  -0.020  1.00  0.00           H  
HETATM  119  H   UNL     1     -13.261   1.216   0.511  1.00  0.00           H  
HETATM  120  H   UNL     1     -15.298  -0.196   0.198  1.00  0.00           H  
HETATM  121  H   UNL     1     -14.708  -3.069  -0.646  1.00  0.00           H  
CONECT    1   16    2   45   66                                       
CONECT    2    1   15    3    4                                       
CONECT    3    2   67   68   69                                       
CONECT    4    2   46   70   71                                       
CONECT    5    6   48   72   73                                       
CONECT    6   49    7    5   74                                       
CONECT    7    8    6   51   75                                       
CONECT    8   50    9    7   76                                       
CONECT    9   36    8   49   77                                       
CONECT   10   37   37   36   78                                       
CONECT   11   14   37   12   12                                       
CONECT   12   11   11   38   36                                       
CONECT   13   39   38   38   79                                       
CONECT   14   40   39   39   11                                       
CONECT   15    2   80   81   82                                       
CONECT   16   41   61   61    1                                       
CONECT   17   18   41   83   84                                       
CONECT   18   19   17   85   86                                       
CONECT   19   60   60   18   42                                       
CONECT   20   21   42   87   88                                       
CONECT   21   65   20   89   90                                       
CONECT   22   65   59   59   23                                       
CONECT   23   22   24   91   92                                       
CONECT   24   23   25   93  118                                       
CONECT   25   24   26   94  119                                       
CONECT   26   25   27   95   96                                       
CONECT   27   26   28   97  120                                       
CONECT   28   27   29   98  121                                       
CONECT   29   28   30   99  100                                       
CONECT   30   29   31  101  102                                       
CONECT   31   30   32   44   43                                       
CONECT   32   31   33  103  104                                       
CONECT   33   32   34  105  106                                       
CONECT   34   35   35   35   33                                       
CONECT   35   34   34   34  107                                       
CONECT   36   12   10    9                                            
CONECT   37   11   10   10                                            
CONECT   38   13   13   12                                            
CONECT   39   14   14   13                                            
CONECT   40   14  108  109                                            
CONECT   41   17   16  110                                            
CONECT   42   19   20  111                                            
CONECT   43   31   44   44                                            
CONECT   44   31   43   43                                            
CONECT   45    1  112                                                 
CONECT   46    4   62                                                 
CONECT   47   62   63                                                 
CONECT   48    5   63                                                 
CONECT   49    9    6                                                 
CONECT   50    8  113                                                 
CONECT   51    7   64                                                 
CONECT   52   64  114                                                 
CONECT   53   64   64                                                 
CONECT   54   64  115                                                 
CONECT   55   63   63                                                 
CONECT   56   63  116                                                 
CONECT   57   62   62                                                 
CONECT   58   62  117                                                 
CONECT   59   22   22                                                 
CONECT   60   19   19                                                 
CONECT   61   16   16                                                 
CONECT   62   46   57   57   58                                       
CONECT   62   47                                                      
CONECT   63   47   48   55   55                                       
CONECT   63   56                                                      
CONECT   64   53   53   51   54                                       
CONECT   64   52                                                      
CONECT   65   21   22                                                 
CONECT   66    1                                                      
CONECT   67    3                                                      
CONECT   68    3                                                      
CONECT   69    3                                                      
CONECT   70    4                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    5                                                      
CONECT   74    6                                                      
CONECT   75    7                                                      
CONECT   76    8                                                      
CONECT   77    9                                                      
CONECT   78   10                                                      
CONECT   79   13                                                      
CONECT   80   15                                                      
CONECT   81   15                                                      
CONECT   82   15                                                      
CONECT   83   17                                                      
CONECT   84   17                                                      
CONECT   85   18                                                      
CONECT   86   18                                                      
CONECT   87   20                                                      
CONECT   88   20                                                      
CONECT   89   21                                                      
CONECT   90   21                                                      
CONECT   91   23                                                      
CONECT   92   23                                                      
CONECT   93   24                                                      
CONECT   94   25                                                      
CONECT   95   26                                                      
CONECT   96   26                                                      
CONECT   97   27                                                      
CONECT   98   28                                                      
CONECT   99   29                                                      
CONECT  100   29                                                      
CONECT  101   30                                                      
CONECT  102   30                                                      
CONECT  103   32                                                      
CONECT  104   32                                                      
CONECT  105   33                                                      
CONECT  106   33                                                      
CONECT  107   35                                                      
CONECT  108   40                                                      
CONECT  109   40                                                      
CONECT  110   41                                                      
CONECT  111   42                                                      
CONECT  112   45                                                      
CONECT  113   50                                                      
CONECT  114   52                                                      
CONECT  115   54                                                      
CONECT  116   56                                                      
CONECT  117   58                                                      
CONECT  118   24                                                      
CONECT  119   25                                                      
CONECT  120   27                                                      
CONECT  121   28                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
