COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -10.158  -2.047  -0.214  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.971  -1.055   0.134  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.729  -3.382  -1.123  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.409  -2.172  -2.522  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.995  -4.369  -1.488  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.003   0.133   1.134  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.427  -2.126   1.800  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.375   0.512  -0.182  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.689   2.866  -0.808  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.833   3.938  -0.619  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.255   5.228  -0.941  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.384   4.354  -1.636  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.660   7.543  -0.136  1.00  0.00           C  
HETATM   14  C   UNL     1       1.454   8.052  -0.611  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.733  -2.342  -0.051  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.217  -3.066  -1.296  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.898  -1.018   0.948  1.00  0.00           N  
HETATM   18  O   UNL     1      -8.324  -0.053  -0.451  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.908  -0.295   2.134  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.920  -1.842   2.022  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.458  -2.447   3.232  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.654  -0.105  -1.188  1.00  0.00           O  
HETATM   23  N   UNL     1      -4.503   1.538  -0.242  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.892   1.907  -1.521  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.964   3.076  -1.317  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.538   5.429  -1.452  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.347   6.377  -0.741  1.00  0.00           C  
HETATM   28  N   UNL     1       0.327   8.410  -0.090  1.00  0.00           N  
HETATM   29  S   UNL     1       1.338   6.470  -1.250  1.00  0.00           S  
HETATM   30  C   UNL     1      -2.026   7.829   0.432  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.080  -2.976   0.109  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.547  -2.672  -0.059  1.00  0.00           C  
HETATM   33  O   UNL     1     -10.729  -4.056   0.534  1.00  0.00           O  
HETATM   34  F   UNL     1     -12.863  -1.768  -1.079  1.00  0.00           F  
HETATM   35  C   UNL     1     -13.539  -3.804   0.215  1.00  0.00           C  
HETATM   36  C   UNL     1     -13.411  -2.643   1.204  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.279   1.607  -0.501  1.00  0.00           O  
HETATM   38  C   UNL     1       0.047   1.464   0.013  1.00  0.00           C  
HETATM   39  C   UNL     1       0.326  -0.013   0.298  1.00  0.00           C  
HETATM   40  C   UNL     1       5.689  -0.578   2.374  1.00  0.00           C  
HETATM   41  N   UNL     1       6.325   0.744   2.453  1.00  0.00           N  
HETATM   42  C   UNL     1       6.529   1.311   1.112  1.00  0.00           C  
HETATM   43  C   UNL     1       7.521   0.439   0.339  1.00  0.00           C  
HETATM   44  N   UNL     1       8.790   0.371   1.078  1.00  0.00           N  
HETATM   45  C   UNL     1       8.585  -0.196   2.418  1.00  0.00           C  
HETATM   46  C   UNL     1       7.593   0.676   3.192  1.00  0.00           C  
HETATM   47  C   UNL     1       9.744  -0.358   0.367  1.00  0.00           C  
HETATM   48  C   UNL     1       9.524  -1.688   0.027  1.00  0.00           C  
HETATM   49  C   UNL     1      10.525  -2.354  -0.685  1.00  0.00           C  
HETATM   50  N   UNL     1      11.639  -1.714  -1.014  1.00  0.00           N  
HETATM   51  N   UNL     1      11.843  -0.486  -0.701  1.00  0.00           N  
HETATM   52  C   UNL     1      10.953   0.230  -0.033  1.00  0.00           C  
HETATM   53  N   UNL     1      11.222   1.560   0.283  1.00  0.00           N  
HETATM   54  C   UNL     1      10.342  -3.774  -1.072  1.00  0.00           C  
HETATM   55  C   UNL     1      11.345  -4.444  -1.780  1.00  0.00           C  
HETATM   56  C   UNL     1      11.165  -5.770  -2.137  1.00  0.00           C  
HETATM   57  C   UNL     1       9.999  -6.428  -1.795  1.00  0.00           C  
HETATM   58  C   UNL     1       9.005  -5.768  -1.095  1.00  0.00           C  
HETATM   59  C   UNL     1       9.172  -4.448  -0.728  1.00  0.00           C  
HETATM   60  O   UNL     1      12.490  -3.796  -2.117  1.00  0.00           O  
HETATM   61  C   UNL     1       1.724  -0.165   0.840  1.00  0.00           C  
HETATM   62  C   UNL     1       2.783  -0.365  -0.026  1.00  0.00           C  
HETATM   63  C   UNL     1       4.066  -0.498   0.470  1.00  0.00           C  
HETATM   64  C   UNL     1       4.291  -0.431   1.833  1.00  0.00           C  
HETATM   65  C   UNL     1       3.232  -0.231   2.699  1.00  0.00           C  
HETATM   66  C   UNL     1       1.949  -0.098   2.202  1.00  0.00           C  
HETATM   67  H   UNL     1     -10.439  -1.181  -0.550  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.186  -2.463  -0.902  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.601  -4.086  -0.301  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.342  -3.821  -2.042  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.854  -1.244  -2.386  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.041  -2.688  -3.409  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.468  -1.947  -2.646  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.628  -4.885  -2.375  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.859  -5.006  -0.614  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.055  -4.144  -1.611  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.561   0.979   1.536  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.958  -2.124   2.752  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.562  -3.080   1.291  1.00  0.00           H  
HETATM   80  H   UNL     1       0.159   3.776  -0.223  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.376   4.511  -2.032  1.00  0.00           H  
HETATM   82  H   UNL     1       2.342   8.665  -0.640  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.591  -2.977   0.824  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.938   0.105   1.839  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.163   0.024   3.145  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.330  -2.177   1.170  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.540  -3.410   3.246  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.280   2.033   0.562  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.329   1.060  -1.913  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.673   2.183  -2.230  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.869   6.426  -1.703  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.679   8.197  -0.360  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.444   6.914   0.851  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.944   8.583   1.215  1.00  0.00           H  
HETATM   95  H   UNL     1     -14.438  -3.845  -0.400  1.00  0.00           H  
HETATM   96  H   UNL     1     -13.130  -4.769   0.516  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.919  -2.844   2.155  1.00  0.00           H  
HETATM   98  H   UNL     1     -14.226  -1.920   1.239  1.00  0.00           H  
HETATM   99  H   UNL     1       0.763   1.834  -0.721  1.00  0.00           H  
HETATM  100  H   UNL     1       0.143   2.036   0.935  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.390  -0.383   1.032  1.00  0.00           H  
HETATM  102  H   UNL     1       0.230  -0.586  -0.624  1.00  0.00           H  
HETATM  103  H   UNL     1       6.270  -1.221   1.712  1.00  0.00           H  
HETATM  104  H   UNL     1       5.650  -1.021   3.369  1.00  0.00           H  
HETATM  105  H   UNL     1       5.578   1.340   0.581  1.00  0.00           H  
HETATM  106  H   UNL     1       6.926   2.322   1.202  1.00  0.00           H  
HETATM  107  H   UNL     1       7.112  -0.564   0.226  1.00  0.00           H  
HETATM  108  H   UNL     1       7.697   0.874  -0.645  1.00  0.00           H  
HETATM  109  H   UNL     1       8.187  -1.207   2.329  1.00  0.00           H  
HETATM  110  H   UNL     1       9.536  -0.224   2.950  1.00  0.00           H  
HETATM  111  H   UNL     1       8.003   1.680   3.305  1.00  0.00           H  
HETATM  112  H   UNL     1       7.418   0.242   4.176  1.00  0.00           H  
HETATM  113  H   UNL     1       8.609  -2.190   0.305  1.00  0.00           H  
HETATM  114  H   UNL     1      12.062   1.962   0.013  1.00  0.00           H  
HETATM  115  H   UNL     1      10.569   2.083   0.773  1.00  0.00           H  
HETATM  116  H   UNL     1      11.938  -6.291  -2.684  1.00  0.00           H  
HETATM  117  H   UNL     1       9.863  -7.462  -2.075  1.00  0.00           H  
HETATM  118  H   UNL     1       8.096  -6.288  -0.831  1.00  0.00           H  
HETATM  119  H   UNL     1       8.396  -3.937  -0.177  1.00  0.00           H  
HETATM  120  H   UNL     1      13.190  -3.863  -1.452  1.00  0.00           H  
HETATM  121  H   UNL     1       2.608  -0.417  -1.090  1.00  0.00           H  
HETATM  122  H   UNL     1       4.893  -0.655  -0.206  1.00  0.00           H  
HETATM  123  H   UNL     1       3.407  -0.179   3.763  1.00  0.00           H  
HETATM  124  H   UNL     1       1.122   0.063   2.878  1.00  0.00           H  
CONECT    1   31   15   67                                            
CONECT    2   15   18   18   17                                       
CONECT    3   16   68   69   70                                       
CONECT    4   16   71   72   73                                       
CONECT    5   16   74   75   76                                       
CONECT    6   17   19    8   77                                       
CONECT    7   17   20   78   79                                       
CONECT    8    6   22   22   23                                       
CONECT    9   25   37   10   10                                       
CONECT   10    9    9   11   80                                       
CONECT   11   26   26   10   27                                       
CONECT   12   25   25   26   81                                       
CONECT   13   27   27   30   28                                       
CONECT   14   29   28   28   82                                       
CONECT   15    1   16    2   83                                       
CONECT   16    4   15    5    3                                       
CONECT   17    2    7    6                                            
CONECT   18    2    2                                                 
CONECT   19   20    6   84   85                                       
CONECT   20   21    7   19   86                                       
CONECT   21   20   87                                                 
CONECT   22    8    8                                                 
CONECT   23    8   24   88                                            
CONECT   24   23   25   89   90                                       
CONECT   25   24   12   12    9                                       
CONECT   26   12   11   11   91                                       
CONECT   27   11   29   13   13                                       
CONECT   28   13   14   14                                            
CONECT   29   27   14                                                 
CONECT   30   13   92   93   94                                       
CONECT   31   32   33   33    1                                       
CONECT   32   35   36   34   31                                       
CONECT   33   31   31                                                 
CONECT   34   32                                                      
CONECT   35   36   32   95   96                                       
CONECT   36   35   32   97   98                                       
CONECT   37    9   38                                                 
CONECT   38   37   39   99  100                                       
CONECT   39   61   38  101  102                                       
CONECT   40   41   64  103  104                                       
CONECT   41   42   46   40                                            
CONECT   42   43   41  105  106                                       
CONECT   43   44   42  107  108                                       
CONECT   44   47   43   45                                            
CONECT   45   44   46  109  110                                       
CONECT   46   45   41  111  112                                       
CONECT   47   52   52   48   44                                       
CONECT   48   49   49   47  113                                       
CONECT   49   50   54   48   48                                       
CONECT   50   51   51   49                                            
CONECT   51   50   50   52                                            
CONECT   52   51   53   47   47                                       
CONECT   53   52  114  115                                            
CONECT   54   55   49   59   59                                       
CONECT   55   60   56   56   54                                       
CONECT   56   55   55   57  116                                       
CONECT   57   56   58   58  117                                       
CONECT   58   57   57   59  118                                       
CONECT   59   54   54   58  119                                       
CONECT   60   55  120                                                 
CONECT   61   62   62   66   39                                       
CONECT   62   63   61   61  121                                       
CONECT   63   64   64   62  122                                       
CONECT   64   40   63   63   65                                       
CONECT   65   64   66   66  123                                       
CONECT   66   65   65   61  124                                       
CONECT   67    1                                                      
CONECT   68    3                                                      
CONECT   69    3                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    4                                                      
CONECT   73    4                                                      
CONECT   74    5                                                      
CONECT   75    5                                                      
CONECT   76    5                                                      
CONECT   77    6                                                      
CONECT   78    7                                                      
CONECT   79    7                                                      
CONECT   80   10                                                      
CONECT   81   12                                                      
CONECT   82   14                                                      
CONECT   83   15                                                      
CONECT   84   19                                                      
CONECT   85   19                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   23                                                      
CONECT   89   24                                                      
CONECT   90   24                                                      
CONECT   91   26                                                      
CONECT   92   30                                                      
CONECT   93   30                                                      
CONECT   94   30                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   40                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   43                                                      
CONECT  109   45                                                      
CONECT  110   45                                                      
CONECT  111   46                                                      
CONECT  112   46                                                      
CONECT  113   48                                                      
CONECT  114   53                                                      
CONECT  115   53                                                      
CONECT  116   56                                                      
CONECT  117   57                                                      
CONECT  118   58                                                      
CONECT  119   59                                                      
CONECT  120   60                                                      
CONECT  121   62                                                      
CONECT  122   63                                                      
CONECT  123   65                                                      
CONECT  124   66                                                      
MASTER        0    0    0    0    0    0    0    0  124    0  124    0
END
