COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.362  -6.770   4.999  1.00  0.00           C  
HETATM    2  C   UNL     1       1.776  -6.395   3.637  1.00  0.00           C  
HETATM    3  C   UNL     1       0.374  -6.992   3.503  1.00  0.00           C  
HETATM    4  C   UNL     1       1.696  -4.895   3.520  1.00  0.00           C  
HETATM    5  C   UNL     1       1.044  -2.948   2.325  1.00  0.00           C  
HETATM    6  C   UNL     1       1.957  -2.108   2.954  1.00  0.00           C  
HETATM    7  C   UNL     1       1.801  -0.742   2.881  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.029  -2.412   1.620  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.193  -1.047   1.547  1.00  0.00           C  
HETATM   10  C   UNL     1       0.725  -0.200   2.173  1.00  0.00           C  
HETATM   11  C   UNL     1       0.554   1.264   2.093  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.627   3.238   1.291  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.638   3.937   2.626  1.00  0.00           C  
HETATM   14  C   UNL     1       0.334   3.870   0.271  1.00  0.00           C  
HETATM   15  C   UNL     1       1.590   3.067   0.047  1.00  0.00           C  
HETATM   16  C   UNL     1       2.820   3.698   0.039  1.00  0.00           C  
HETATM   17  C   UNL     1       3.975   2.961  -0.166  1.00  0.00           C  
HETATM   18  C   UNL     1       5.193   4.995   0.033  1.00  0.00           C  
HETATM   19  C   UNL     1       3.894   1.586  -0.364  1.00  0.00           C  
HETATM   20  C   UNL     1       2.658   0.960  -0.354  1.00  0.00           C  
HETATM   21  C   UNL     1       1.510   1.700  -0.144  1.00  0.00           C  
HETATM   22  C   UNL     1       5.656   0.390   0.531  1.00  0.00           C  
HETATM   23  C   UNL     1       6.937  -0.306   0.397  1.00  0.00           C  
HETATM   24  C   UNL     1       7.667  -0.829   1.428  1.00  0.00           C  
HETATM   25  C   UNL     1       8.833  -1.430   1.018  1.00  0.00           C  
HETATM   26  C   UNL     1       9.053  -1.402  -0.302  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.752   3.622  -0.789  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.900   4.750  -1.777  1.00  0.00           C  
HETATM   29  C   UNL     1       0.350   2.056  -2.295  1.00  0.00           C  
HETATM   30  C   UNL     1       0.402   0.764  -3.007  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.593  -0.194  -2.794  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.541  -1.398  -3.460  1.00  0.00           C  
HETATM   33  C   UNL     1       0.500  -1.661  -4.344  1.00  0.00           C  
HETATM   34  C   UNL     1       1.492  -0.710  -4.559  1.00  0.00           C  
HETATM   35  C   UNL     1       1.443   0.498  -3.901  1.00  0.00           C  
HETATM   36  C   UNL     1       0.130  -4.007  -4.404  1.00  0.00           C  
HETATM   37  C   UNL     1       0.279  -5.340  -5.091  1.00  0.00           C  
HETATM   38  C   UNL     1       1.759  -5.603  -5.377  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.270  -6.444  -4.186  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.773   3.670   0.360  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.869   2.643   0.236  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.132   1.784   1.287  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.140   0.840   1.175  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.593   0.134   3.379  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.887   0.760   0.003  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.618   1.624  -1.046  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.614   2.567  -0.926  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.060   0.130   0.464  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.203  -0.767   0.288  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.451  -0.576   0.815  1.00  0.00           C  
HETATM   51  C   UNL     1     -10.337  -1.575   0.491  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.836  -2.552  -0.274  1.00  0.00           C  
HETATM   53  N   UNL     1       1.208  -4.331   2.397  1.00  0.00           N  
HETATM   54  N   UNL     1      -0.484   1.785   1.410  1.00  0.00           N  
HETATM   55  N   UNL     1      -0.655   2.310  -1.434  1.00  0.00           N  
HETATM   56  N   UNL     1       0.549  -2.882  -5.017  1.00  0.00           N  
HETATM   57  O   UNL     1       2.071  -4.194   4.436  1.00  0.00           O  
HETATM   58  O   UNL     1       1.351   2.000   2.642  1.00  0.00           O  
HETATM   59  O   UNL     1       0.045   3.420   3.659  1.00  0.00           O  
HETATM   60  O   UNL     1      -1.263   4.962   2.766  1.00  0.00           O  
HETATM   61  O   UNL     1       5.186   3.581  -0.175  1.00  0.00           O  
HETATM   62  O   UNL     1       5.025   0.859  -0.566  1.00  0.00           O  
HETATM   63  O   UNL     1       5.160   0.545   1.631  1.00  0.00           O  
HETATM   64  O   UNL     1      -1.465   4.525  -2.973  1.00  0.00           O  
HETATM   65  O   UNL     1      -0.509   5.858  -1.493  1.00  0.00           O  
HETATM   66  O   UNL     1       1.214   2.890  -2.486  1.00  0.00           O  
HETATM   67  O   UNL     1      -0.366  -3.946  -3.299  1.00  0.00           O  
HETATM   68  O   UNL     1      -4.399  -0.006   2.207  1.00  0.00           O  
HETATM   69  O   UNL     1      -5.877  -0.165  -0.112  1.00  0.00           O  
HETATM   70  O   UNL     1      -7.177   1.141   1.130  1.00  0.00           O  
HETATM   71  S   UNL     1       7.780  -0.609  -1.116  1.00  0.00           S  
HETATM   72  S   UNL     1      -8.195  -2.260  -0.640  1.00  0.00           S  
HETATM   73  H   UNL     1       1.723  -6.377   5.790  1.00  0.00           H  
HETATM   74  H   UNL     1       2.420  -7.855   5.084  1.00  0.00           H  
HETATM   75  H   UNL     1       3.361  -6.344   5.095  1.00  0.00           H  
HETATM   76  H   UNL     1       2.415  -6.788   2.846  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.265  -6.600   4.294  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.044  -6.725   2.532  1.00  0.00           H  
HETATM   79  H   UNL     1       0.432  -8.078   3.588  1.00  0.00           H  
HETATM   80  H   UNL     1       2.789  -2.527   3.501  1.00  0.00           H  
HETATM   81  H   UNL     1       2.510  -0.090   3.370  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.733  -3.068   1.129  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.026  -0.632   0.999  1.00  0.00           H  
HETATM   84  H   UNL     1       0.534   4.926   0.453  1.00  0.00           H  
HETATM   85  H   UNL     1       2.880   4.766   0.192  1.00  0.00           H  
HETATM   86  H   UNL     1       6.219   5.361   0.002  1.00  0.00           H  
HETATM   87  H   UNL     1       4.609   5.480  -0.749  1.00  0.00           H  
HETATM   88  H   UNL     1       4.755   5.220   1.006  1.00  0.00           H  
HETATM   89  H   UNL     1       2.592  -0.107  -0.507  1.00  0.00           H  
HETATM   90  H   UNL     1       0.547   1.211  -0.136  1.00  0.00           H  
HETATM   91  H   UNL     1       7.359  -0.775   2.462  1.00  0.00           H  
HETATM   92  H   UNL     1       9.522  -1.891   1.710  1.00  0.00           H  
HETATM   93  H   UNL     1       9.919  -1.827  -0.788  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.401   0.010  -2.107  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.310  -2.138  -3.295  1.00  0.00           H  
HETATM   96  H   UNL     1       2.299  -0.918  -5.246  1.00  0.00           H  
HETATM   97  H   UNL     1       2.211   1.238  -4.071  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.276  -5.329  -6.029  1.00  0.00           H  
HETATM   99  H   UNL     1       2.314  -5.614  -4.439  1.00  0.00           H  
HETATM  100  H   UNL     1       1.867  -6.567  -5.874  1.00  0.00           H  
HETATM  101  H   UNL     1       2.150  -4.816  -6.022  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.324  -6.256  -3.982  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.162  -7.408  -4.683  1.00  0.00           H  
HETATM  104  H   UNL     1       0.285  -6.455  -3.248  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.150   4.671   0.568  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.551   1.849   2.195  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.546  -0.030   3.121  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.714   1.138   3.786  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.903  -0.599   4.123  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.196   1.564  -1.957  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.409   3.243  -1.743  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.713   0.276   1.425  1.00  0.00           H  
HETATM  113  H   UNL     1     -11.363  -1.572   0.830  1.00  0.00           H  
HETATM  114  H   UNL     1     -10.397  -3.409  -0.617  1.00  0.00           H  
HETATM  115  H   UNL     1       0.971  -4.888   1.639  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.137   1.198   0.998  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.314   1.625  -1.241  1.00  0.00           H  
HETATM  118  H   UNL     1       0.885  -2.921  -5.926  1.00  0.00           H  
HETATM  119  H   UNL     1       0.008   3.904   4.496  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.538   5.280  -3.574  1.00  0.00           H  
CONECT    1    2   73   74   75                                       
CONECT    2    1    4    3   76                                       
CONECT    3    2   77   78   79                                       
CONECT    4   53    2   57   57                                       
CONECT    5    6    6    8   53                                       
CONECT    6    7    5    5   80                                       
CONECT    7   10   10    6   81                                       
CONECT    8    9    9    5   82                                       
CONECT    9   10    8    8   83                                       
CONECT   10   11    7    7    9                                       
CONECT   11   58   58   54   10                                       
CONECT   12   13   14   54   40                                       
CONECT   13   60   60   59   12                                       
CONECT   14   15   27   12   84                                       
CONECT   15   21   14   16   16                                       
CONECT   16   15   15   17   85                                       
CONECT   17   19   19   16   61                                       
CONECT   18   61   86   87   88                                       
CONECT   19   20   62   17   17                                       
CONECT   20   21   21   19   89                                       
CONECT   21   20   20   15   90                                       
CONECT   22   62   23   63   63                                       
CONECT   23   24   24   22   71                                       
CONECT   24   25   23   23   91                                       
CONECT   25   24   26   26   92                                       
CONECT   26   25   25   71   93                                       
CONECT   27   28   14   55   40                                       
CONECT   28   65   65   64   27                                       
CONECT   29   66   66   30   55                                       
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   32   94                                       
CONECT   32   31   33   33   95                                       
CONECT   33   32   32   34   56                                       
CONECT   34   35   35   33   96                                       
CONECT   35   30   34   34   97                                       
CONECT   36   67   67   37   56                                       
CONECT   37   38   36   39   98                                       
CONECT   38   37   99  100  101                                       
CONECT   39   37  102  103  104                                       
CONECT   40   27   12   41  105                                       
CONECT   41   40   47   47   42                                       
CONECT   42   41   43   43  106                                       
CONECT   43   42   42   45   68                                       
CONECT   44   68  107  108  109                                       
CONECT   45   46   46   43   69                                       
CONECT   46   47   45   45  110                                       
CONECT   47   41   41   46  111                                       
CONECT   48   70   70   69   49                                       
CONECT   49   48   72   50   50                                       
CONECT   50   49   49   51  112                                       
CONECT   51   50   52   52  113                                       
CONECT   52   72   51   51  114                                       
CONECT   53    5    4  115                                            
CONECT   54   12   11  116                                            
CONECT   55   29   27  117                                            
CONECT   56   36   33  118                                            
CONECT   57    4    4                                                 
CONECT   58   11   11                                                 
CONECT   59   13  119                                                 
CONECT   60   13   13                                                 
CONECT   61   17   18                                                 
CONECT   62   19   22                                                 
CONECT   63   22   22                                                 
CONECT   64   28  120                                                 
CONECT   65   28   28                                                 
CONECT   66   29   29                                                 
CONECT   67   36   36                                                 
CONECT   68   43   44                                                 
CONECT   69   45   48                                                 
CONECT   70   48   48                                                 
CONECT   71   23   26                                                 
CONECT   72   49   52                                                 
CONECT   73    1                                                      
CONECT   74    1                                                      
CONECT   75    1                                                      
CONECT   76    2                                                      
CONECT   77    3                                                      
CONECT   78    3                                                      
CONECT   79    3                                                      
CONECT   80    6                                                      
CONECT   81    7                                                      
CONECT   82    8                                                      
CONECT   83    9                                                      
CONECT   84   14                                                      
CONECT   85   16                                                      
CONECT   86   18                                                      
CONECT   87   18                                                      
CONECT   88   18                                                      
CONECT   89   20                                                      
CONECT   90   21                                                      
CONECT   91   24                                                      
CONECT   92   25                                                      
CONECT   93   26                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   34                                                      
CONECT   97   35                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   38                                                      
CONECT  102   39                                                      
CONECT  103   39                                                      
CONECT  104   39                                                      
CONECT  105   40                                                      
CONECT  106   42                                                      
CONECT  107   44                                                      
CONECT  108   44                                                      
CONECT  109   44                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   50                                                      
CONECT  113   51                                                      
CONECT  114   52                                                      
CONECT  115   53                                                      
CONECT  116   54                                                      
CONECT  117   55                                                      
CONECT  118   56                                                      
CONECT  119   59                                                      
CONECT  120   64                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
