COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.547  -0.651   1.696  1.00  0.00           O  
HETATM    2  C   UNL     1      -9.941  -0.753   0.554  1.00  0.00           C  
HETATM    3  N   UNL     1     -11.186  -0.349   0.233  1.00  0.00           N  
HETATM    4  C   UNL     1     -12.065   0.208   1.265  1.00  0.00           C  
HETATM    5  C   UNL     1     -13.389   0.580   0.650  1.00  0.00           C  
HETATM    6  C   UNL     1     -14.413  -0.350   0.605  1.00  0.00           C  
HETATM    7  C   UNL     1     -15.628  -0.016   0.044  1.00  0.00           C  
HETATM    8  C   UNL     1     -13.578   1.850   0.137  1.00  0.00           C  
HETATM    9  C   UNL     1     -14.789   2.197  -0.427  1.00  0.00           C  
HETATM   10  C   UNL     1     -15.824   1.262  -0.480  1.00  0.00           C  
HETATM   11  C   UNL     1     -17.124   1.626  -1.084  1.00  0.00           C  
HETATM   12  S   UNL     1     -18.039   3.099  -0.768  1.00  0.00           S  
HETATM   13  C   UNL     1     -19.256   2.587  -1.853  1.00  0.00           C  
HETATM   14  N   UNL     1     -18.953   1.438  -2.360  1.00  0.00           N  
HETATM   15  C   UNL     1     -17.819   0.893  -1.980  1.00  0.00           C  
HETATM   16  C   UNL     1     -17.338  -0.439  -2.496  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.038  -1.325  -0.507  1.00  0.00           C  
HETATM   18  N   UNL     1      -7.739  -1.685   0.082  1.00  0.00           N  
HETATM   19  C   UNL     1      -7.535  -3.136  -0.075  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.418  -3.533  -1.285  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.759  -3.238  -2.518  1.00  0.00           O  
HETATM   22  C   UNL     1      -9.655  -2.619  -1.081  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.879  -0.829   0.668  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.181   0.338   0.802  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.541  -1.322   1.155  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.648  -1.712   2.631  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.321  -2.315   3.096  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.964  -0.469   3.465  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.766  -2.741   2.806  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.543  -0.260   1.002  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.238  -0.573   0.880  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.889  -1.735   0.898  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.212   0.519   0.722  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.819  -0.102   0.606  1.00  0.00           C  
HETATM   35  C   UNL     1       0.222   1.007   0.446  1.00  0.00           C  
HETATM   36  N   UNL     1       1.556   0.412   0.334  1.00  0.00           N  
HETATM   37  C   UNL     1       2.637   1.204   0.185  1.00  0.00           C  
HETATM   38  O   UNL     1       2.505   2.411   0.142  1.00  0.00           O  
HETATM   39  C   UNL     1       3.981   0.604   0.072  1.00  0.00           C  
HETATM   40  C   UNL     1       4.134  -0.785   0.115  1.00  0.00           C  
HETATM   41  C   UNL     1       5.387  -1.343   0.010  1.00  0.00           C  
HETATM   42  C   UNL     1       6.506  -0.523  -0.139  1.00  0.00           C  
HETATM   43  C   UNL     1       6.356   0.864  -0.182  1.00  0.00           C  
HETATM   44  C   UNL     1       5.102   1.424  -0.083  1.00  0.00           C  
HETATM   45  C   UNL     1       7.856  -1.124  -0.252  1.00  0.00           C  
HETATM   46  C   UNL     1       8.975  -0.306  -0.401  1.00  0.00           C  
HETATM   47  C   UNL     1      10.234  -0.871  -0.505  1.00  0.00           C  
HETATM   48  C   UNL     1      10.380  -2.259  -0.460  1.00  0.00           C  
HETATM   49  N   UNL     1      11.650  -2.831  -0.565  1.00  0.00           N  
HETATM   50  C   UNL     1      11.732  -3.722  -1.731  1.00  0.00           C  
HETATM   51  C   UNL     1      13.157  -4.264  -1.855  1.00  0.00           C  
HETATM   52  N   UNL     1      13.516  -4.980  -0.623  1.00  0.00           N  
HETATM   53  C   UNL     1      14.852  -5.581  -0.733  1.00  0.00           C  
HETATM   54  C   UNL     1      13.434  -4.089   0.543  1.00  0.00           C  
HETATM   55  C   UNL     1      12.008  -3.546   0.668  1.00  0.00           C  
HETATM   56  C   UNL     1       9.263  -3.072  -0.312  1.00  0.00           C  
HETATM   57  C   UNL     1       8.008  -2.510  -0.203  1.00  0.00           C  
HETATM   58  N   UNL     1      11.360  -0.052  -0.655  1.00  0.00           N  
HETATM   59  C   UNL     1      11.335   1.218  -0.203  1.00  0.00           C  
HETATM   60  O   UNL     1      10.375   1.621   0.425  1.00  0.00           O  
HETATM   61  C   UNL     1      12.473   2.119  -0.471  1.00  0.00           C  
HETATM   62  C   UNL     1      12.458   3.442  -0.007  1.00  0.00           C  
HETATM   63  C   UNL     1      11.284   3.972   0.775  1.00  0.00           C  
HETATM   64  F   UNL     1      11.118   3.214   1.939  1.00  0.00           F  
HETATM   65  F   UNL     1      11.517   5.308   1.118  1.00  0.00           F  
HETATM   66  F   UNL     1      10.126   3.887  -0.006  1.00  0.00           F  
HETATM   67  C   UNL     1      13.545   4.246  -0.282  1.00  0.00           C  
HETATM   68  C   UNL     1      14.612   3.723  -1.006  1.00  0.00           C  
HETATM   69  O   UNL     1      15.682   4.507  -1.280  1.00  0.00           O  
HETATM   70  N   UNL     1      14.596   2.468  -1.431  1.00  0.00           N  
HETATM   71  C   UNL     1      13.583   1.665  -1.186  1.00  0.00           C  
HETATM   72  H   UNL     1     -11.500  -0.426  -0.682  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.223  -0.535   2.046  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.602   1.096   1.695  1.00  0.00           H  
HETATM   75  H   UNL     1     -14.260  -1.339   1.011  1.00  0.00           H  
HETATM   76  H   UNL     1     -16.426  -0.743   0.009  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.777   2.573   0.178  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.936   3.189  -0.827  1.00  0.00           H  
HETATM   79  H   UNL     1     -20.152   3.144  -2.082  1.00  0.00           H  
HETATM   80  H   UNL     1     -17.771  -1.239  -1.895  1.00  0.00           H  
HETATM   81  H   UNL     1     -17.644  -0.558  -3.535  1.00  0.00           H  
HETATM   82  H   UNL     1     -16.251  -0.483  -2.429  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.894  -0.596  -1.304  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.487  -3.352  -0.284  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.860  -3.664   0.821  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.698  -4.585  -1.236  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.928  -3.715  -2.644  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.349  -3.063  -0.368  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.149  -2.421  -2.031  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.239  -2.191   0.571  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.524  -1.581   2.971  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.397  -2.593   4.148  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.096  -3.201   2.502  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.909  -0.039   3.133  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.040  -0.746   4.516  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.167   0.265   3.340  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.506  -3.655   2.272  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.891  -2.964   3.866  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.696  -2.339   2.407  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.823   0.669   0.988  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.430   1.095  -0.177  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.246   1.177   1.591  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.602  -0.678   1.506  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.786  -0.760  -0.263  1.00  0.00           H  
HETATM  105  H   UNL     1       0.005   1.582  -0.454  1.00  0.00           H  
HETATM  106  H   UNL     1       0.189   1.665   1.314  1.00  0.00           H  
HETATM  107  H   UNL     1       1.662  -0.552   0.368  1.00  0.00           H  
HETATM  108  H   UNL     1       3.268  -1.420   0.231  1.00  0.00           H  
HETATM  109  H   UNL     1       5.505  -2.416   0.043  1.00  0.00           H  
HETATM  110  H   UNL     1       7.222   1.498  -0.297  1.00  0.00           H  
HETATM  111  H   UNL     1       4.985   2.497  -0.120  1.00  0.00           H  
HETATM  112  H   UNL     1       8.859   0.767  -0.435  1.00  0.00           H  
HETATM  113  H   UNL     1      11.036  -4.552  -1.604  1.00  0.00           H  
HETATM  114  H   UNL     1      11.474  -3.166  -2.632  1.00  0.00           H  
HETATM  115  H   UNL     1      13.213  -4.948  -2.702  1.00  0.00           H  
HETATM  116  H   UNL     1      13.849  -3.437  -2.010  1.00  0.00           H  
HETATM  117  H   UNL     1      15.589  -4.798  -0.909  1.00  0.00           H  
HETATM  118  H   UNL     1      15.092  -6.104   0.193  1.00  0.00           H  
HETATM  119  H   UNL     1      14.865  -6.287  -1.563  1.00  0.00           H  
HETATM  120  H   UNL     1      13.691  -4.645   1.444  1.00  0.00           H  
HETATM  121  H   UNL     1      14.129  -3.259   0.416  1.00  0.00           H  
HETATM  122  H   UNL     1      11.952  -2.862   1.515  1.00  0.00           H  
HETATM  123  H   UNL     1      11.316  -4.374   0.822  1.00  0.00           H  
HETATM  124  H   UNL     1       9.379  -4.145  -0.274  1.00  0.00           H  
HETATM  125  H   UNL     1       7.142  -3.144  -0.087  1.00  0.00           H  
HETATM  126  H   UNL     1      12.158  -0.398  -1.084  1.00  0.00           H  
HETATM  127  H   UNL     1      13.568   5.270   0.060  1.00  0.00           H  
HETATM  128  H   UNL     1      13.606   0.648  -1.549  1.00  0.00           H  
HETATM  129  H   UNL     1      16.376   4.475  -0.607  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   17    1    1                                       
CONECT    3    4    2   72                                            
CONECT    4    3    5   73   74                                       
CONECT    5    4    6    6    8                                       
CONECT    6    5    5    7   75                                       
CONECT    7    6   10   10   76                                       
CONECT    8    5    9    9   77                                       
CONECT    9    8    8   10   78                                       
CONECT   10    9    7    7   11                                       
CONECT   11   10   15   15   12                                       
CONECT   12   11   13                                                 
CONECT   13   14   14   12   79                                       
CONECT   14   15   13   13                                            
CONECT   15   16   11   11   14                                       
CONECT   16   15   80   81   82                                       
CONECT   17    2   18   22   83                                       
CONECT   18   23   17   19                                            
CONECT   19   18   20   84   85                                       
CONECT   20   21   22   19   86                                       
CONECT   21   20   87                                                 
CONECT   22   17   20   88   89                                       
CONECT   23   24   24   25   18                                       
CONECT   24   23   23                                                 
CONECT   25   30   23   26   90                                       
CONECT   26   27   25   29   28                                       
CONECT   27   26   91   92   93                                       
CONECT   28   26   94   95   96                                       
CONECT   29   26   97   98   99                                       
CONECT   30   31   25  100                                            
CONECT   31   33   30   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   34   31  101  102                                       
CONECT   34   33   35  103  104                                       
CONECT   35   34   36  105  106                                       
CONECT   36   37   35  107                                            
CONECT   37   39   38   38   36                                       
CONECT   38   37   37                                                 
CONECT   39   40   37   44   44                                       
CONECT   40   41   41   39  108                                       
CONECT   41   40   40   42  109                                       
CONECT   42   41   45   43   43                                       
CONECT   43   42   42   44  110                                       
CONECT   44   39   39   43  111                                       
CONECT   45   57   42   46   46                                       
CONECT   46   45   45   47  112                                       
CONECT   47   48   48   46   58                                       
CONECT   48   56   49   47   47                                       
CONECT   49   55   48   50                                            
CONECT   50   49   51  113  114                                       
CONECT   51   52   50  115  116                                       
CONECT   52   54   53   51                                            
CONECT   53   52  117  118  119                                       
CONECT   54   55   52  120  121                                       
CONECT   55   54   49  122  123                                       
CONECT   56   57   57   48  124                                       
CONECT   57   56   56   45  125                                       
CONECT   58   47   59  126                                            
CONECT   59   58   61   60   60                                       
CONECT   60   59   59                                                 
CONECT   61   71   59   62   62                                       
CONECT   62   61   61   67   63                                       
CONECT   63   62   66   65   64                                       
CONECT   64   63                                                      
CONECT   65   63                                                      
CONECT   66   63                                                      
CONECT   67   68   68   62  127                                       
CONECT   68   70   69   67   67                                       
CONECT   69   68  129                                                 
CONECT   70   71   71   68                                            
CONECT   71   70   70   61  128                                       
CONECT   72    3                                                      
CONECT   73    4                                                      
CONECT   74    4                                                      
CONECT   75    6                                                      
CONECT   76    7                                                      
CONECT   77    8                                                      
CONECT   78    9                                                      
CONECT   79   13                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   16                                                      
CONECT   83   17                                                      
CONECT   84   19                                                      
CONECT   85   19                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   22                                                      
CONECT   89   22                                                      
CONECT   90   25                                                      
CONECT   91   27                                                      
CONECT   92   27                                                      
CONECT   93   27                                                      
CONECT   94   28                                                      
CONECT   95   28                                                      
CONECT   96   28                                                      
CONECT   97   29                                                      
CONECT   98   29                                                      
CONECT   99   29                                                      
CONECT  100   30                                                      
CONECT  101   33                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   34                                                      
CONECT  105   35                                                      
CONECT  106   35                                                      
CONECT  107   36                                                      
CONECT  108   40                                                      
CONECT  109   41                                                      
CONECT  110   43                                                      
CONECT  111   44                                                      
CONECT  112   46                                                      
CONECT  113   50                                                      
CONECT  114   50                                                      
CONECT  115   51                                                      
CONECT  116   51                                                      
CONECT  117   53                                                      
CONECT  118   53                                                      
CONECT  119   53                                                      
CONECT  120   54                                                      
CONECT  121   54                                                      
CONECT  122   55                                                      
CONECT  123   55                                                      
CONECT  124   56                                                      
CONECT  125   57                                                      
CONECT  126   58                                                      
CONECT  127   67                                                      
CONECT  128   71                                                      
CONECT  129   69                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
