COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      11.607   5.322  -0.024  1.00  0.00           N  
HETATM    2  C   UNL     1      12.867   6.045   0.196  1.00  0.00           C  
HETATM    3  O   UNL     1      14.113  -3.747   2.300  1.00  0.00           O  
HETATM    4  C   UNL     1      11.749   4.333  -1.102  1.00  0.00           C  
HETATM    5  C   UNL     1      11.035  -1.808   0.737  1.00  0.00           C  
HETATM    6  C   UNL     1      12.061  -1.137   1.370  1.00  0.00           C  
HETATM    7  C   UNL     1      13.162  -3.156   1.816  1.00  0.00           C  
HETATM    8  C   UNL     1      12.136  -3.884   1.185  1.00  0.00           C  
HETATM    9  C   UNL     1      11.078  -3.221   0.647  1.00  0.00           C  
HETATM   10  C   UNL     1       9.967  -3.978  -0.034  1.00  0.00           C  
HETATM   11  C   UNL     1       7.481   0.279  -0.300  1.00  0.00           C  
HETATM   12  C   UNL     1       6.354   0.969  -0.741  1.00  0.00           C  
HETATM   13  C   UNL     1       5.079   0.244  -0.964  1.00  0.00           C  
HETATM   14  C   UNL     1       3.897   0.727  -0.415  1.00  0.00           C  
HETATM   15  C   UNL     1      12.216   5.034  -2.380  1.00  0.00           C  
HETATM   16  C   UNL     1       2.703   0.040  -0.629  1.00  0.00           C  
HETATM   17  C   UNL     1       1.443   0.548  -0.049  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.961   0.387   0.319  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.094  -0.532  -0.059  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.448  -1.159  -0.006  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.518  -2.319   0.990  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.248  -3.165   0.876  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.636  -1.764   2.411  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.739  -3.186   0.678  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.746  -0.394   0.023  1.00  0.00           C  
HETATM   26  C   UNL     1      10.398   3.660  -1.354  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.949   0.113  -1.062  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.770  -0.040   0.193  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.782   0.391   1.498  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.364   1.456   2.513  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.242   0.557   1.167  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.636   1.523   0.257  1.00  0.00           C  
HETATM   33  C   UNL     1     -13.972   1.680  -0.051  1.00  0.00           C  
HETATM   34  C   UNL     1     -14.926   0.863   0.557  1.00  0.00           C  
HETATM   35  C   UNL     1     -16.359   1.026   0.231  1.00  0.00           C  
HETATM   36  C   UNL     1     -17.224   0.035  -0.074  1.00  0.00           C  
HETATM   37  C   UNL     1      11.143   4.684   1.215  1.00  0.00           C  
HETATM   38  C   UNL     1     -16.820  -1.416  -0.123  1.00  0.00           C  
HETATM   39  C   UNL     1     -18.673   1.714  -0.252  1.00  0.00           C  
HETATM   40  C   UNL     1     -14.522  -0.109   1.473  1.00  0.00           C  
HETATM   41  C   UNL     1     -13.183  -0.259   1.769  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.703  -0.502  -2.260  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.073  -1.916  -2.377  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.601  -1.634  -1.986  1.00  0.00           C  
HETATM   45  C   UNL     1       2.700  -1.129  -1.394  1.00  0.00           C  
HETATM   46  C   UNL     1       3.875  -1.605  -1.936  1.00  0.00           C  
HETATM   47  C   UNL     1       5.063  -0.924  -1.732  1.00  0.00           C  
HETATM   48  C   UNL     1      10.989   5.742   2.309  1.00  0.00           C  
HETATM   49  C   UNL     1       6.425   2.342  -0.971  1.00  0.00           C  
HETATM   50  C   UNL     1       7.609   3.018  -0.763  1.00  0.00           C  
HETATM   51  C   UNL     1       9.792   4.010   0.963  1.00  0.00           C  
HETATM   52  C   UNL     1       8.734   2.333  -0.324  1.00  0.00           C  
HETATM   53  C   UNL     1       8.667   0.960  -0.086  1.00  0.00           C  
HETATM   54  C   UNL     1       9.901  -1.061   0.164  1.00  0.00           C  
HETATM   55  F   UNL     1       9.901  -3.599  -1.379  1.00  0.00           F  
HETATM   56  F   UNL     1      10.217  -5.351   0.052  1.00  0.00           F  
HETATM   57  F   UNL     1       8.751  -3.685   0.593  1.00  0.00           F  
HETATM   58  F   UNL     1       6.210  -1.391  -2.271  1.00  0.00           F  
HETATM   59  N   UNL     1       9.933   3.021  -0.114  1.00  0.00           N  
HETATM   60  N   UNL     1       9.802   0.269   0.358  1.00  0.00           N  
HETATM   61  N   UNL     1      13.099  -1.815   1.894  1.00  0.00           N  
HETATM   62  N   UNL     1       0.289  -0.117  -0.257  1.00  0.00           N  
HETATM   63  N   UNL     1      -3.346  -0.266   0.361  1.00  0.00           N  
HETATM   64  N   UNL     1      -6.681  -0.617  -0.922  1.00  0.00           N  
HETATM   65  N   UNL     1      -9.984   0.539   0.278  1.00  0.00           N  
HETATM   66  N   UNL     1     -18.447   0.445  -0.325  1.00  0.00           N  
HETATM   67  O   UNL     1       9.053  -1.645  -0.484  1.00  0.00           O  
HETATM   68  O   UNL     1      -8.337  -0.683   1.125  1.00  0.00           O  
HETATM   69  O   UNL     1      -8.163  -2.407  -3.716  1.00  0.00           O  
HETATM   70  O   UNL     1      -5.949   0.423   0.896  1.00  0.00           O  
HETATM   71  O   UNL     1      -1.879  -1.511  -0.742  1.00  0.00           O  
HETATM   72  O   UNL     1       1.446   1.566   0.616  1.00  0.00           O  
HETATM   73  S   UNL     1     -17.246   2.549   0.180  1.00  0.00           S  
HETATM   74  H   UNL     1      13.631   5.347   0.537  1.00  0.00           H  
HETATM   75  H   UNL     1      13.188   6.508  -0.737  1.00  0.00           H  
HETATM   76  H   UNL     1      12.716   6.816   0.951  1.00  0.00           H  
HETATM   77  H   UNL     1      12.482   3.581  -0.811  1.00  0.00           H  
HETATM   78  H   UNL     1      12.031  -0.060   1.444  1.00  0.00           H  
HETATM   79  H   UNL     1      12.189  -4.961   1.127  1.00  0.00           H  
HETATM   80  H   UNL     1       7.428  -0.785  -0.120  1.00  0.00           H  
HETATM   81  H   UNL     1       3.904   1.632   0.176  1.00  0.00           H  
HETATM   82  H   UNL     1      13.177   5.515  -2.200  1.00  0.00           H  
HETATM   83  H   UNL     1      12.321   4.300  -3.179  1.00  0.00           H  
HETATM   84  H   UNL     1      11.482   5.786  -2.671  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.161   1.387  -0.066  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.871   0.426   1.404  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.279  -1.551  -1.009  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.164  -3.560  -0.136  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.378  -2.547   1.099  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.298  -3.991   1.586  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.685  -2.591   3.120  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.766  -1.146   2.633  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.540  -1.161   2.492  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.615  -3.649  -0.302  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.836  -3.962   1.436  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.634  -2.565   0.675  1.00  0.00           H  
HETATM   97  H   UNL     1       9.672   4.409  -1.671  1.00  0.00           H  
HETATM   98  H   UNL     1      10.507   2.905  -2.133  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.753   1.169  -1.250  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.616  -0.600   1.922  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.530   2.447   2.089  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.958   1.346   3.421  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.308   1.336   2.753  1.00  0.00           H  
HETATM  104  H   UNL     1     -11.897   2.154  -0.212  1.00  0.00           H  
HETATM  105  H   UNL     1     -14.278   2.435  -0.760  1.00  0.00           H  
HETATM  106  H   UNL     1      11.869   3.935   1.533  1.00  0.00           H  
HETATM  107  H   UNL     1     -17.028  -1.883   0.840  1.00  0.00           H  
HETATM  108  H   UNL     1     -17.387  -1.925  -0.903  1.00  0.00           H  
HETATM  109  H   UNL     1     -15.755  -1.490  -0.341  1.00  0.00           H  
HETATM  110  H   UNL     1     -19.630   2.181  -0.434  1.00  0.00           H  
HETATM  111  H   UNL     1     -15.256  -0.744   1.947  1.00  0.00           H  
HETATM  112  H   UNL     1     -12.868  -1.014   2.475  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.770  -0.572  -2.050  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.526   0.078  -3.166  1.00  0.00           H  
HETATM  115  H   UNL     1      -8.538  -2.610  -1.677  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.128  -2.541  -1.610  1.00  0.00           H  
HETATM  117  H   UNL     1      -6.049  -1.245  -2.842  1.00  0.00           H  
HETATM  118  H   UNL     1       1.776  -1.662  -1.560  1.00  0.00           H  
HETATM  119  H   UNL     1       3.868  -2.509  -2.526  1.00  0.00           H  
HETATM  120  H   UNL     1      10.263   6.490   1.991  1.00  0.00           H  
HETATM  121  H   UNL     1      10.645   5.268   3.228  1.00  0.00           H  
HETATM  122  H   UNL     1      11.951   6.223   2.486  1.00  0.00           H  
HETATM  123  H   UNL     1       5.551   2.877  -1.313  1.00  0.00           H  
HETATM  124  H   UNL     1       7.662   4.082  -0.943  1.00  0.00           H  
HETATM  125  H   UNL     1       9.459   3.511   1.873  1.00  0.00           H  
HETATM  126  H   UNL     1       9.059   4.763   0.673  1.00  0.00           H  
HETATM  127  H   UNL     1      10.518   0.748   0.805  1.00  0.00           H  
HETATM  128  H   UNL     1       0.286  -0.929  -0.787  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.518   0.518   0.907  1.00  0.00           H  
HETATM  130  H   UNL     1     -10.330   1.054  -0.468  1.00  0.00           H  
HETATM  131  H   UNL     1      -7.782  -3.288  -3.838  1.00  0.00           H  
HETATM  132  H   UNL     1      13.814  -1.328   2.333  1.00  0.00           H  
CONECT    1    2    4   37                                            
CONECT    2    1   74   75   76                                       
CONECT    3    7    7                                                 
CONECT    4   15    1   26   77                                       
CONECT    5    9    6    6   54                                       
CONECT    6   61    5    5   78                                       
CONECT    7    3    3    8   61                                       
CONECT    8    7    9    9   79                                       
CONECT    9    8    8   10    5                                       
CONECT   10   55    9   56   57                                       
CONECT   11   53   12   12   80                                       
CONECT   12   11   11   49   13                                       
CONECT   13   12   14   47   47                                       
CONECT   14   16   16   13   81                                       
CONECT   15    4   82   83   84                                       
CONECT   16   17   14   14   45                                       
CONECT   17   72   72   62   16                                       
CONECT   18   19   62   85   86                                       
CONECT   19   71   71   18   63                                       
CONECT   20   21   63   25   87                                       
CONECT   21   23   22   24   20                                       
CONECT   22   21   88   89   90                                       
CONECT   23   21   91   92   93                                       
CONECT   24   21   94   95   96                                       
CONECT   25   20   70   70   64                                       
CONECT   26    4   59   97   98                                       
CONECT   27   64   28   42   99                                       
CONECT   28   68   68   27   65                                       
CONECT   29   65   30   31  100                                       
CONECT   30   29  101  102  103                                       
CONECT   31   29   41   41   32                                       
CONECT   32   31   33   33  104                                       
CONECT   33   32   32   34  105                                       
CONECT   34   40   40   33   35                                       
CONECT   35   34   73   36   36                                       
CONECT   36   35   35   38   66                                       
CONECT   37    1   48   51  106                                       
CONECT   38   36  107  108  109                                       
CONECT   39   73   66   66  110                                       
CONECT   40   41   34   34  111                                       
CONECT   41   31   31   40  112                                       
CONECT   42   43   27  113  114                                       
CONECT   43   44   69   42  115                                       
CONECT   44   64   43  116  117                                       
CONECT   45   16   46   46  118                                       
CONECT   46   45   45   47  119                                       
CONECT   47   13   13   46   58                                       
CONECT   48   37  120  121  122                                       
CONECT   49   50   50   12  123                                       
CONECT   50   52   49   49  124                                       
CONECT   51   37   59  125  126                                       
CONECT   52   59   53   53   50                                       
CONECT   53   60   52   52   11                                       
CONECT   54    5   67   67   60                                       
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   47                                                      
CONECT   59   26   51   52                                            
CONECT   60   54   53  127                                            
CONECT   61    7    6  132                                            
CONECT   62   18   17  128                                            
CONECT   63   19   20  129                                            
CONECT   64   25   44   27                                            
CONECT   65   28   29  130                                            
CONECT   66   36   39   39                                            
CONECT   67   54   54                                                 
CONECT   68   28   28                                                 
CONECT   69   43  131                                                 
CONECT   70   25   25                                                 
CONECT   71   19   19                                                 
CONECT   72   17   17                                                 
CONECT   73   35   39                                                 
CONECT   74    2                                                      
CONECT   75    2                                                      
CONECT   76    2                                                      
CONECT   77    4                                                      
CONECT   78    6                                                      
CONECT   79    8                                                      
CONECT   80   11                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   15                                                      
CONECT   84   15                                                      
CONECT   85   18                                                      
CONECT   86   18                                                      
CONECT   87   20                                                      
CONECT   88   22                                                      
CONECT   89   22                                                      
CONECT   90   22                                                      
CONECT   91   23                                                      
CONECT   92   23                                                      
CONECT   93   23                                                      
CONECT   94   24                                                      
CONECT   95   24                                                      
CONECT   96   24                                                      
CONECT   97   26                                                      
CONECT   98   26                                                      
CONECT   99   27                                                      
CONECT  100   29                                                      
CONECT  101   30                                                      
CONECT  102   30                                                      
CONECT  103   30                                                      
CONECT  104   32                                                      
CONECT  105   33                                                      
CONECT  106   37                                                      
CONECT  107   38                                                      
CONECT  108   38                                                      
CONECT  109   38                                                      
CONECT  110   39                                                      
CONECT  111   40                                                      
CONECT  112   41                                                      
CONECT  113   42                                                      
CONECT  114   42                                                      
CONECT  115   43                                                      
CONECT  116   44                                                      
CONECT  117   44                                                      
CONECT  118   45                                                      
CONECT  119   46                                                      
CONECT  120   48                                                      
CONECT  121   48                                                      
CONECT  122   48                                                      
CONECT  123   49                                                      
CONECT  124   50                                                      
CONECT  125   51                                                      
CONECT  126   51                                                      
CONECT  127   60                                                      
CONECT  128   62                                                      
CONECT  129   63                                                      
CONECT  130   65                                                      
CONECT  131   69                                                      
CONECT  132   61                                                      
MASTER        0    0    0    0    0    0    0    0  132    0  132    0
END
