COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      21.203   3.898   1.169  1.00  0.00           C  
HETATM    2  C   UNL     1      16.692   0.233  -0.548  1.00  0.00           C  
HETATM    3  C   UNL     1      17.868   2.286  -0.134  1.00  0.00           C  
HETATM    4  C   UNL     1      16.703   3.003  -0.409  1.00  0.00           C  
HETATM    5  C   UNL     1      15.548   2.332  -0.756  1.00  0.00           C  
HETATM    6  C   UNL     1      15.541   0.950  -0.820  1.00  0.00           C  
HETATM    7  C   UNL     1      17.855   0.892  -0.206  1.00  0.00           C  
HETATM    8  C   UNL     1      14.273   0.223  -1.187  1.00  0.00           C  
HETATM    9  C   UNL     1      19.109   2.999   0.238  1.00  0.00           C  
HETATM   10  C   UNL     1      18.995   4.691  -1.614  1.00  0.00           C  
HETATM   11  C   UNL     1      12.333  -0.724  -0.058  1.00  0.00           C  
HETATM   12  C   UNL     1      11.548  -1.029   1.192  1.00  0.00           C  
HETATM   13  C   UNL     1      12.374  -1.944   2.120  1.00  0.00           C  
HETATM   14  C   UNL     1      19.633   4.068  -0.399  1.00  0.00           C  
HETATM   15  C   UNL     1      11.826  -3.358   1.790  1.00  0.00           C  
HETATM   16  C   UNL     1      10.328  -3.059   1.531  1.00  0.00           C  
HETATM   17  C   UNL     1       9.340  -1.301   0.035  1.00  0.00           C  
HETATM   18  C   UNL     1       8.186  -2.199  -0.329  1.00  0.00           C  
HETATM   19  C   UNL     1       8.480  -2.892  -1.660  1.00  0.00           C  
HETATM   20  C   UNL     1       9.752  -3.733  -1.528  1.00  0.00           C  
HETATM   21  C   UNL     1       7.306  -3.800  -2.033  1.00  0.00           C  
HETATM   22  C   UNL     1       8.677  -1.839  -2.752  1.00  0.00           C  
HETATM   23  C   UNL     1       5.760  -1.974  -0.272  1.00  0.00           C  
HETATM   24  C   UNL     1       4.505  -1.151  -0.401  1.00  0.00           C  
HETATM   25  C   UNL     1       3.284  -2.039  -0.149  1.00  0.00           C  
HETATM   26  C   UNL     1       2.010  -1.204  -0.280  1.00  0.00           C  
HETATM   27  C   UNL     1       0.790  -2.092  -0.028  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.485  -1.256  -0.159  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.705  -2.144   0.094  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.980  -1.309  -0.037  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.200  -2.197   0.215  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.475  -1.361   0.084  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.695  -2.249   0.336  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.121  -2.025   0.393  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.351  -1.219   0.266  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.276   0.102  -0.157  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.431   0.890  -0.286  1.00  0.00           C  
HETATM   38  C   UNL     1     -12.640   0.337   0.090  1.00  0.00           C  
HETATM   39  C   UNL     1     -12.722  -1.008   0.482  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.593  -1.786   0.567  1.00  0.00           C  
HETATM   41  C   UNL     1     -11.691  -3.229   0.991  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.907  -5.940   0.253  1.00  0.00           C  
HETATM   43  C   UNL     1     -13.868   1.141   0.250  1.00  0.00           C  
HETATM   44  C   UNL     1     -14.877   0.722   1.069  1.00  0.00           C  
HETATM   45  C   UNL     1     -16.251   2.640   0.653  1.00  0.00           C  
HETATM   46  C   UNL     1     -15.294   3.117  -0.265  1.00  0.00           C  
HETATM   47  C   UNL     1     -14.097   2.398  -0.465  1.00  0.00           C  
HETATM   48  C   UNL     1     -13.360   3.076  -1.425  1.00  0.00           C  
HETATM   49  C   UNL     1     -14.086   4.155  -1.809  1.00  0.00           C  
HETATM   50  C   UNL     1     -11.984   2.727  -1.942  1.00  0.00           C  
HETATM   51  C   UNL     1     -10.077   2.837  -0.437  1.00  0.00           C  
HETATM   52  C   UNL     1     -10.188   3.645   0.692  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.079   4.352   1.126  1.00  0.00           C  
HETATM   54  C   UNL     1      -7.892   4.225   0.413  1.00  0.00           C  
HETATM   55  C   UNL     1      -7.855   3.404  -0.699  1.00  0.00           C  
HETATM   56  C   UNL     1     -17.018   0.933   2.180  1.00  0.00           C  
HETATM   57  F   UNL     1      -6.787   4.897   0.802  1.00  0.00           F  
HETATM   58  F   UNL     1     -11.362   3.739   1.355  1.00  0.00           F  
HETATM   59  N   UNL     1      13.510  -0.073   0.028  1.00  0.00           N  
HETATM   60  N   UNL     1      10.317  -1.754   0.845  1.00  0.00           N  
HETATM   61  N   UNL     1       6.965  -1.398  -0.454  1.00  0.00           N  
HETATM   62  N   UNL     1      -7.916  -1.449   0.211  1.00  0.00           N  
HETATM   63  N   UNL     1      20.748   4.519   0.132  1.00  0.00           N  
HETATM   64  N   UNL     1     -16.006   1.456   1.260  1.00  0.00           N  
HETATM   65  N   UNL     1     -15.253   4.194  -1.099  1.00  0.00           N  
HETATM   66  N   UNL     1     -11.185   2.121  -0.884  1.00  0.00           N  
HETATM   67  N   UNL     1      -8.931   2.747  -1.091  1.00  0.00           N  
HETATM   68  O   UNL     1      11.905  -1.064  -1.140  1.00  0.00           O  
HETATM   69  O   UNL     1       9.389  -0.170  -0.400  1.00  0.00           O  
HETATM   70  O   UNL     1       5.687  -3.155  -0.005  1.00  0.00           O  
HETATM   71  O   UNL     1      -9.195  -3.209   0.661  1.00  0.00           O  
HETATM   72  O   UNL     1     -13.022  -4.005  -1.149  1.00  0.00           O  
HETATM   73  O   UNL     1     -10.578  -4.186  -1.199  1.00  0.00           O  
HETATM   74  O   UNL     1     -17.267   3.273   0.892  1.00  0.00           O  
HETATM   75  O   UNL     1      11.988  -4.242   2.901  1.00  0.00           O  
HETATM   76  S   UNL     1      20.175   2.596   1.581  1.00  0.00           S  
HETATM   77  S   UNL     1     -11.800  -4.284  -0.481  1.00  0.00           S  
HETATM   78  H   UNL     1      22.107   4.161   1.697  1.00  0.00           H  
HETATM   79  H   UNL     1      16.680  -0.846  -0.600  1.00  0.00           H  
HETATM   80  H   UNL     1      16.706   4.082  -0.355  1.00  0.00           H  
HETATM   81  H   UNL     1      14.646   2.886  -0.969  1.00  0.00           H  
HETATM   82  H   UNL     1      18.753   0.331   0.007  1.00  0.00           H  
HETATM   83  H   UNL     1      13.674   0.849  -1.849  1.00  0.00           H  
HETATM   84  H   UNL     1      14.523  -0.709  -1.696  1.00  0.00           H  
HETATM   85  H   UNL     1      18.360   5.522  -1.305  1.00  0.00           H  
HETATM   86  H   UNL     1      19.772   5.057  -2.285  1.00  0.00           H  
HETATM   87  H   UNL     1      18.392   3.945  -2.130  1.00  0.00           H  
HETATM   88  H   UNL     1      11.301  -0.102   1.710  1.00  0.00           H  
HETATM   89  H   UNL     1      13.436  -1.877   1.883  1.00  0.00           H  
HETATM   90  H   UNL     1      12.194  -1.696   3.166  1.00  0.00           H  
HETATM   91  H   UNL     1      12.304  -3.764   0.898  1.00  0.00           H  
HETATM   92  H   UNL     1       9.893  -3.827   0.892  1.00  0.00           H  
HETATM   93  H   UNL     1       9.785  -2.999   2.474  1.00  0.00           H  
HETATM   94  H   UNL     1       8.050  -2.949   0.450  1.00  0.00           H  
HETATM   95  H   UNL     1      10.570  -3.102  -1.181  1.00  0.00           H  
HETATM   96  H   UNL     1       9.583  -4.536  -0.811  1.00  0.00           H  
HETATM   97  H   UNL     1      10.008  -4.159  -2.497  1.00  0.00           H  
HETATM   98  H   UNL     1       7.166  -4.550  -1.255  1.00  0.00           H  
HETATM   99  H   UNL     1       6.400  -3.201  -2.128  1.00  0.00           H  
HETATM  100  H   UNL     1       7.515  -4.294  -2.982  1.00  0.00           H  
HETATM  101  H   UNL     1       8.886  -2.333  -3.701  1.00  0.00           H  
HETATM  102  H   UNL     1       7.771  -1.240  -2.847  1.00  0.00           H  
HETATM  103  H   UNL     1       9.513  -1.192  -2.487  1.00  0.00           H  
HETATM  104  H   UNL     1       4.523  -0.343   0.330  1.00  0.00           H  
HETATM  105  H   UNL     1       4.447  -0.732  -1.406  1.00  0.00           H  
HETATM  106  H   UNL     1       3.266  -2.848  -0.880  1.00  0.00           H  
HETATM  107  H   UNL     1       3.342  -2.459   0.855  1.00  0.00           H  
HETATM  108  H   UNL     1       2.028  -0.396   0.451  1.00  0.00           H  
HETATM  109  H   UNL     1       1.952  -0.784  -1.284  1.00  0.00           H  
HETATM  110  H   UNL     1       0.771  -2.900  -0.759  1.00  0.00           H  
HETATM  111  H   UNL     1       0.847  -2.512   0.976  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.467  -0.448   0.572  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.543  -0.836  -1.163  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.724  -2.953  -0.637  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.648  -2.564   1.098  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.962  -0.501   0.694  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.038  -0.889  -1.042  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.219  -3.005  -0.516  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.143  -2.617   1.219  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.457  -0.553   0.815  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.533  -0.941  -0.920  1.00  0.00           H  
HETATM  122  H   UNL     1      -6.714  -3.057  -0.395  1.00  0.00           H  
HETATM  123  H   UNL     1      -6.638  -2.669   1.341  1.00  0.00           H  
HETATM  124  H   UNL     1      -9.313   0.531  -0.391  1.00  0.00           H  
HETATM  125  H   UNL     1     -13.684  -1.438   0.717  1.00  0.00           H  
HETATM  126  H   UNL     1     -10.807  -3.499   1.567  1.00  0.00           H  
HETATM  127  H   UNL     1     -12.581  -3.368   1.604  1.00  0.00           H  
HETATM  128  H   UNL     1     -11.978  -6.685  -0.539  1.00  0.00           H  
HETATM  129  H   UNL     1     -11.016  -6.130   0.852  1.00  0.00           H  
HETATM  130  H   UNL     1     -12.791  -5.999   0.888  1.00  0.00           H  
HETATM  131  H   UNL     1     -14.775  -0.224   1.580  1.00  0.00           H  
HETATM  132  H   UNL     1     -13.788   4.872  -2.559  1.00  0.00           H  
HETATM  133  H   UNL     1     -12.078   2.028  -2.773  1.00  0.00           H  
HETATM  134  H   UNL     1     -11.489   3.634  -2.291  1.00  0.00           H  
HETATM  135  H   UNL     1      -9.134   4.987   1.998  1.00  0.00           H  
HETATM  136  H   UNL     1      -6.936   3.302  -1.256  1.00  0.00           H  
HETATM  137  H   UNL     1     -17.858   1.626   2.229  1.00  0.00           H  
HETATM  138  H   UNL     1     -17.368  -0.036   1.823  1.00  0.00           H  
HETATM  139  H   UNL     1     -16.583   0.819   3.173  1.00  0.00           H  
HETATM  140  H   UNL     1      13.853   0.198   0.894  1.00  0.00           H  
HETATM  141  H   UNL     1       7.024  -0.454  -0.668  1.00  0.00           H  
HETATM  142  H   UNL     1      -7.857  -0.505  -0.003  1.00  0.00           H  
HETATM  143  H   UNL     1     -15.939   4.875  -1.177  1.00  0.00           H  
HETATM  144  H   UNL     1      11.660  -5.138   2.741  1.00  0.00           H  
CONECT    1   63   63   76   78                                       
CONECT    2    7    7    6   79                                       
CONECT    3    9    4    4    7                                       
CONECT    4    3    3    5   80                                       
CONECT    5    4    6    6   81                                       
CONECT    6    5    5    2    8                                       
CONECT    7    3    2    2   82                                       
CONECT    8    6   59   83   84                                       
CONECT    9   14   14   76    3                                       
CONECT   10   14   85   86   87                                       
CONECT   11   59   68   68   12                                       
CONECT   12   11   60   13   88                                       
CONECT   13   12   15   89   90                                       
CONECT   14   63   10    9    9                                       
CONECT   15   16   13   75   91                                       
CONECT   16   60   15   92   93                                       
CONECT   17   69   69   18   60                                       
CONECT   18   19   61   17   94                                       
CONECT   19   21   20   22   18                                       
CONECT   20   19   95   96   97                                       
CONECT   21   19   98   99  100                                       
CONECT   22   19  101  102  103                                       
CONECT   23   61   24   70   70                                       
CONECT   24   25   23  104  105                                       
CONECT   25   26   24  106  107                                       
CONECT   26   27   25  108  109                                       
CONECT   27   28   26  110  111                                       
CONECT   28   27   29  112  113                                       
CONECT   29   30   28  114  115                                       
CONECT   30   29   31  116  117                                       
CONECT   31   30   32  118  119                                       
CONECT   32   31   33  120  121                                       
CONECT   33   62   32  122  123                                       
CONECT   34   35   62   71   71                                       
CONECT   35   40   40   36   34                                       
CONECT   36   37   37   35  124                                       
CONECT   37   38   66   36   36                                       
CONECT   38   43   39   39   37                                       
CONECT   39   38   38   40  125                                       
CONECT   40   39   41   35   35                                       
CONECT   41   77   40  126  127                                       
CONECT   42   77  128  129  130                                       
CONECT   43   44   44   47   38                                       
CONECT   44   64   43   43  131                                       
CONECT   45   74   74   64   46                                       
CONECT   46   45   65   47   47                                       
CONECT   47   46   46   48   43                                       
CONECT   48   49   49   47   50                                       
CONECT   49   65   48   48  132                                       
CONECT   50   48   66  133  134                                       
CONECT   51   66   67   67   52                                       
CONECT   52   51   58   53   53                                       
CONECT   53   52   52   54  135                                       
CONECT   54   55   55   53   57                                       
CONECT   55   67   54   54  136                                       
CONECT   56   64  137  138  139                                       
CONECT   57   54                                                      
CONECT   58   52                                                      
CONECT   59    8   11  140                                            
CONECT   60   17   12   16                                            
CONECT   61   18   23  141                                            
CONECT   62   34   33  142                                            
CONECT   63    1    1   14                                            
CONECT   64   56   45   44                                            
CONECT   65   46   49  143                                            
CONECT   66   50   37   51                                            
CONECT   67   51   51   55                                            
CONECT   68   11   11                                                 
CONECT   69   17   17                                                 
CONECT   70   23   23                                                 
CONECT   71   34   34                                                 
CONECT   72   77   77                                                 
CONECT   73   77   77                                                 
CONECT   74   45   45                                                 
CONECT   75   15  144                                                 
CONECT   76    1    9                                                 
CONECT   77   72   72   73   73                                       
CONECT   77   42   41                                                 
CONECT   78    1                                                      
CONECT   79    2                                                      
CONECT   80    4                                                      
CONECT   81    5                                                      
CONECT   82    7                                                      
CONECT   83    8                                                      
CONECT   84    8                                                      
CONECT   85   10                                                      
CONECT   86   10                                                      
CONECT   87   10                                                      
CONECT   88   12                                                      
CONECT   89   13                                                      
CONECT   90   13                                                      
CONECT   91   15                                                      
CONECT   92   16                                                      
CONECT   93   16                                                      
CONECT   94   18                                                      
CONECT   95   20                                                      
CONECT   96   20                                                      
CONECT   97   20                                                      
CONECT   98   21                                                      
CONECT   99   21                                                      
CONECT  100   21                                                      
CONECT  101   22                                                      
CONECT  102   22                                                      
CONECT  103   22                                                      
CONECT  104   24                                                      
CONECT  105   24                                                      
CONECT  106   25                                                      
CONECT  107   25                                                      
CONECT  108   26                                                      
CONECT  109   26                                                      
CONECT  110   27                                                      
CONECT  111   27                                                      
CONECT  112   28                                                      
CONECT  113   28                                                      
CONECT  114   29                                                      
CONECT  115   29                                                      
CONECT  116   30                                                      
CONECT  117   30                                                      
CONECT  118   31                                                      
CONECT  119   31                                                      
CONECT  120   32                                                      
CONECT  121   32                                                      
CONECT  122   33                                                      
CONECT  123   33                                                      
CONECT  124   36                                                      
CONECT  125   39                                                      
CONECT  126   41                                                      
CONECT  127   41                                                      
CONECT  128   42                                                      
CONECT  129   42                                                      
CONECT  130   42                                                      
CONECT  131   44                                                      
CONECT  132   49                                                      
CONECT  133   50                                                      
CONECT  134   50                                                      
CONECT  135   53                                                      
CONECT  136   55                                                      
CONECT  137   56                                                      
CONECT  138   56                                                      
CONECT  139   56                                                      
CONECT  140   59                                                      
CONECT  141   61                                                      
CONECT  142   62                                                      
CONECT  143   65                                                      
CONECT  144   75                                                      
MASTER        0    0    0    0    0    0    0    0  144    0  144    0
END
