COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.181   2.985   1.166  1.00  0.00           N  
HETATM    2  N   UNL     1      -9.293  -2.651  -0.056  1.00  0.00           N  
HETATM    3  C   UNL     1       3.832   0.627  -1.505  1.00  0.00           C  
HETATM    4  C   UNL     1       2.832   0.349  -0.379  1.00  0.00           C  
HETATM    5  C   UNL     1       1.500   1.028  -0.707  1.00  0.00           C  
HETATM    6  C   UNL     1       0.432   3.176  -1.033  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.294   3.262   0.311  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.635   4.007   0.254  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.992   1.793  -0.879  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.304  -0.813   1.143  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.410  -3.371   0.171  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.903  -1.992  -1.321  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.942  -2.401  -0.016  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.517   2.694   1.697  1.00  0.00           C  
HETATM   15  C   UNL     1       2.630   2.767  -1.963  1.00  0.00           C  
HETATM   16  O   UNL     1       8.254  -2.769   1.183  1.00  0.00           O  
HETATM   17  C   UNL     1       7.144  -3.206   1.416  1.00  0.00           C  
HETATM   18  O   UNL     1       6.929  -3.940   2.523  1.00  0.00           O  
HETATM   19  C   UNL     1       8.067  -4.169   3.395  1.00  0.00           C  
HETATM   20  N   UNL     1       6.129  -2.957   0.565  1.00  0.00           N  
HETATM   21  C   UNL     1       6.364  -2.158  -0.641  1.00  0.00           C  
HETATM   22  C   UNL     1       6.855  -3.065  -1.788  1.00  0.00           C  
HETATM   23  C   UNL     1       5.570  -3.397  -2.586  1.00  0.00           C  
HETATM   24  C   UNL     1       4.783  -2.064  -2.537  1.00  0.00           C  
HETATM   25  C   UNL     1       5.047  -1.522  -1.117  1.00  0.00           C  
HETATM   26  C   UNL     1       5.184   0.002  -1.155  1.00  0.00           C  
HETATM   27  C   UNL     1       6.217   0.394  -2.213  1.00  0.00           C  
HETATM   28  N   UNL     1       7.491  -0.279  -1.926  1.00  0.00           N  
HETATM   29  C   UNL     1       8.389  -0.228  -3.095  1.00  0.00           C  
HETATM   30  C   UNL     1       9.543   0.062  -2.125  1.00  0.00           C  
HETATM   31  C   UNL     1       8.426   0.630  -1.238  1.00  0.00           C  
HETATM   32  C   UNL     1       5.632   0.500   0.195  1.00  0.00           C  
HETATM   33  C   UNL     1       5.531  -0.321   1.303  1.00  0.00           C  
HETATM   34  C   UNL     1       6.150   1.775   0.324  1.00  0.00           C  
HETATM   35  C   UNL     1       6.562   2.233   1.562  1.00  0.00           C  
HETATM   36  C   UNL     1       6.457   1.416   2.671  1.00  0.00           C  
HETATM   37  C   UNL     1       5.943   0.137   2.542  1.00  0.00           C  
HETATM   38  F   UNL     1       5.845  -0.665   3.626  1.00  0.00           F  
HETATM   39  C   UNL     1       3.996   2.140  -1.673  1.00  0.00           C  
HETATM   40  N   UNL     1       1.710   2.474  -0.855  1.00  0.00           N  
HETATM   41  O   UNL     1       0.555   3.666   1.386  1.00  0.00           O  
HETATM   42  C   UNL     1      -0.108   3.752   2.649  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.179   2.048   0.625  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.472   2.612   0.786  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.793   2.325   1.317  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.030   1.875   0.031  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.714   2.161  -0.505  1.00  0.00           C  
HETATM   48  S   UNL     1      -7.659   1.406  -0.449  1.00  0.00           S  
HETATM   49  O   UNL     1      -8.548   2.087   0.426  1.00  0.00           O  
HETATM   50  O   UNL     1      -7.713   1.533  -1.863  1.00  0.00           O  
HETATM   51  N   UNL     1      -7.822  -0.208  -0.118  1.00  0.00           N  
HETATM   52  C   UNL     1      -7.512  -1.348  -1.032  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.203  -2.354   0.919  1.00  0.00           C  
HETATM   54  O   UNL     1     -10.607  -3.855   1.266  1.00  0.00           O  
HETATM   55  C   UNL     1     -11.413  -3.575  -0.934  1.00  0.00           C  
HETATM   56  C   UNL     1     -12.578  -4.421  -0.416  1.00  0.00           C  
HETATM   57  H   UNL     1       3.461   0.196  -2.436  1.00  0.00           H  
HETATM   58  H   UNL     1       2.679  -0.726  -0.285  1.00  0.00           H  
HETATM   59  H   UNL     1       3.222   0.745   0.559  1.00  0.00           H  
HETATM   60  H   UNL     1       1.105   0.622  -1.638  1.00  0.00           H  
HETATM   61  H   UNL     1       0.791   0.845   0.100  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.186   2.630  -1.746  1.00  0.00           H  
HETATM   63  H   UNL     1       0.619   4.182  -1.410  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.096   3.998  -0.734  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.597   5.004   0.692  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.180   1.438  -1.881  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.669  -0.509   1.975  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.337  -0.523   1.331  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.821  -2.727  -2.122  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.629  -1.223  -1.586  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.799  -3.381  -0.471  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.039  -2.049   0.484  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.333   3.044   2.702  1.00  0.00           H  
HETATM   74  H   UNL     1       2.741   3.846  -2.068  1.00  0.00           H  
HETATM   75  H   UNL     1       2.229   2.351  -2.887  1.00  0.00           H  
HETATM   76  H   UNL     1       8.847  -4.694   2.843  1.00  0.00           H  
HETATM   77  H   UNL     1       8.453  -3.213   3.747  1.00  0.00           H  
HETATM   78  H   UNL     1       7.757  -4.773   4.247  1.00  0.00           H  
HETATM   79  H   UNL     1       5.244  -3.306   0.750  1.00  0.00           H  
HETATM   80  H   UNL     1       7.102  -1.382  -0.437  1.00  0.00           H  
HETATM   81  H   UNL     1       7.568  -2.532  -2.418  1.00  0.00           H  
HETATM   82  H   UNL     1       7.303  -3.975  -1.390  1.00  0.00           H  
HETATM   83  H   UNL     1       5.812  -3.664  -3.615  1.00  0.00           H  
HETATM   84  H   UNL     1       5.009  -4.195  -2.101  1.00  0.00           H  
HETATM   85  H   UNL     1       5.161  -1.370  -3.287  1.00  0.00           H  
HETATM   86  H   UNL     1       3.718  -2.244  -2.687  1.00  0.00           H  
HETATM   87  H   UNL     1       4.232  -1.807  -0.450  1.00  0.00           H  
HETATM   88  H   UNL     1       5.860   0.094  -3.198  1.00  0.00           H  
HETATM   89  H   UNL     1       6.364   1.474  -2.193  1.00  0.00           H  
HETATM   90  H   UNL     1       8.486  -1.184  -3.610  1.00  0.00           H  
HETATM   91  H   UNL     1       8.173   0.597  -3.773  1.00  0.00           H  
HETATM   92  H   UNL     1      10.023  -0.830  -1.722  1.00  0.00           H  
HETATM   93  H   UNL     1      10.253   0.807  -2.485  1.00  0.00           H  
HETATM   94  H   UNL     1       8.220   1.684  -1.420  1.00  0.00           H  
HETATM   95  H   UNL     1       8.553   0.401  -0.180  1.00  0.00           H  
HETATM   96  H   UNL     1       5.130  -1.319   1.201  1.00  0.00           H  
HETATM   97  H   UNL     1       6.233   2.414  -0.543  1.00  0.00           H  
HETATM   98  H   UNL     1       6.967   3.229   1.661  1.00  0.00           H  
HETATM   99  H   UNL     1       6.780   1.774   3.638  1.00  0.00           H  
HETATM  100  H   UNL     1       4.404   2.565  -0.755  1.00  0.00           H  
HETATM  101  H   UNL     1       4.674   2.344  -2.501  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.917   4.480   2.587  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.517   2.776   2.912  1.00  0.00           H  
HETATM  104  H   UNL     1       0.604   4.065   3.413  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.754   1.384   1.378  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.518   1.515  -0.263  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.606   2.388   2.026  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.904   2.096  -1.216  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.893  -1.126  -1.901  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.181  -2.971   1.818  1.00  0.00           H  
HETATM  111  H   UNL     1     -11.787  -2.607  -1.269  1.00  0.00           H  
HETATM  112  H   UNL     1     -10.935  -4.088  -1.769  1.00  0.00           H  
HETATM  113  H   UNL     1     -12.204  -5.389  -0.082  1.00  0.00           H  
HETATM  114  H   UNL     1     -13.056  -3.908   0.418  1.00  0.00           H  
HETATM  115  H   UNL     1     -13.304  -4.568  -1.216  1.00  0.00           H  
CONECT    1   44   43    8                                            
CONECT    2   11   53   12                                            
CONECT    3    4   39   26   57                                       
CONECT    4    5    3   58   59                                       
CONECT    5   40    4   60   61                                       
CONECT    6    7   40   62   63                                       
CONECT    7   41   43    8    6                                       
CONECT    8    1    7   64   65                                       
CONECT    9   46   46   47   66                                       
CONECT   10   53   51   67   68                                       
CONECT   11   55   54   54    2                                       
CONECT   12    2   52   69   70                                       
CONECT   13   53   52   71   72                                       
CONECT   14   45   45   44   73                                       
CONECT   15   40   39   74   75                                       
CONECT   16   17   17                                                 
CONECT   17   18   20   16   16                                       
CONECT   18   19   17                                                 
CONECT   19   18   76   77   78                                       
CONECT   20   17   21   79                                            
CONECT   21   20   22   25   80                                       
CONECT   22   21   23   81   82                                       
CONECT   23   22   24   83   84                                       
CONECT   24   25   23   85   86                                       
CONECT   25   21   26   24   87                                       
CONECT   26    3   25   27   32                                       
CONECT   27   26   28   88   89                                       
CONECT   28   31   27   29                                            
CONECT   29   28   30   90   91                                       
CONECT   30   31   29   92   93                                       
CONECT   31   28   30   94   95                                       
CONECT   32   26   34   34   33                                       
CONECT   33   32   37   37   96                                       
CONECT   34   32   32   35   97                                       
CONECT   35   34   36   36   98                                       
CONECT   36   35   35   37   99                                       
CONECT   37   33   33   36   38                                       
CONECT   38   37                                                      
CONECT   39   15    3  100  101                                       
CONECT   40    6    5   15                                            
CONECT   41   42    7                                                 
CONECT   42   41  102  103  104                                       
CONECT   43    1    7  105  106                                       
CONECT   44   47   47    1   14                                       
CONECT   45   46   14   14  107                                       
CONECT   46   48    9    9   45                                       
CONECT   47    9   44   44  108                                       
CONECT   48   51   50   50   46                                       
CONECT   48   49   49                                                 
CONECT   49   48   48                                                 
CONECT   50   48   48                                                 
CONECT   51   10   52   48                                            
CONECT   52   12   13   51  109                                       
CONECT   53    2   10   13  110                                       
CONECT   54   11   11                                                 
CONECT   55   56   11  111  112                                       
CONECT   56   55  113  114  115                                       
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   12                                                      
CONECT   70   12                                                      
CONECT   71   13                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   23                                                      
CONECT   84   23                                                      
CONECT   85   24                                                      
CONECT   86   24                                                      
CONECT   87   25                                                      
CONECT   88   27                                                      
CONECT   89   27                                                      
CONECT   90   29                                                      
CONECT   91   29                                                      
CONECT   92   30                                                      
CONECT   93   30                                                      
CONECT   94   31                                                      
CONECT   95   31                                                      
CONECT   96   33                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   39                                                      
CONECT  101   39                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   42                                                      
CONECT  105   43                                                      
CONECT  106   43                                                      
CONECT  107   45                                                      
CONECT  108   47                                                      
CONECT  109   52                                                      
CONECT  110   53                                                      
CONECT  111   55                                                      
CONECT  112   55                                                      
CONECT  113   56                                                      
CONECT  114   56                                                      
CONECT  115   56                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
