COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.811  -0.121   0.725  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.435  -1.262   0.506  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.765  -2.260   1.227  1.00  0.00           C  
HETATM    4  C   UNL     1       0.275  -1.684   1.878  1.00  0.00           C  
HETATM    5  N   UNL     1       0.266  -0.369   1.589  1.00  0.00           N  
HETATM    6  C   UNL     1       1.249  -2.427   2.757  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.305  -7.111   2.221  1.00  0.00           C  
HETATM    8  C   UNL     1       0.632  -3.775   3.150  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.097  -3.731   1.305  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.631  -1.455  -0.351  1.00  0.00           C  
HETATM   11  C   UNL     1       1.216   0.628   2.088  1.00  0.00           C  
HETATM   12  C   UNL     1       2.401   0.730   1.125  1.00  0.00           C  
HETATM   13  C   UNL     1       3.451   1.678   1.707  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.784  -2.632  -1.082  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.897  -2.811  -1.879  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.862  -1.824  -1.957  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.718  -0.647  -1.232  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.605  -0.463  -0.424  1.00  0.00           C  
HETATM   19  C   UNL     1       5.431   0.513   0.944  1.00  0.00           C  
HETATM   20  C   UNL     1       6.549   0.533  -0.101  1.00  0.00           C  
HETATM   21  C   UNL     1       7.416   1.778   0.109  1.00  0.00           C  
HETATM   22  C   UNL     1       6.533   3.026   0.015  1.00  0.00           C  
HETATM   23  C   UNL     1       5.416   2.934   1.057  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.074  -2.026  -2.830  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.308   1.900  -0.235  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.281   3.081  -0.214  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.771   5.169   0.910  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.250   6.161   1.952  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.949   6.790   1.446  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.931   5.680   1.165  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.519   4.702   0.146  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.391   7.738   2.509  1.00  0.00           C  
HETATM   33  C   UNL     1       9.894   1.827  -0.652  1.00  0.00           C  
HETATM   34  C   UNL     1      10.566   1.458  -1.993  1.00  0.00           C  
HETATM   35  C   UNL     1       9.506   1.929  -3.016  1.00  0.00           C  
HETATM   36  C   UNL     1       8.205   1.896  -2.244  1.00  0.00           C  
HETATM   37  F   UNL     1      -6.120  -1.021  -3.802  1.00  0.00           F  
HETATM   38  F   UNL     1      -5.997  -3.276  -3.454  1.00  0.00           F  
HETATM   39  F   UNL     1      -7.230  -1.968  -2.044  1.00  0.00           F  
HETATM   40  N   UNL     1       0.042  -4.402   1.958  1.00  0.00           N  
HETATM   41  N   UNL     1       4.615   1.727   0.813  1.00  0.00           N  
HETATM   42  N   UNL     1      -5.762   4.128   0.677  1.00  0.00           N  
HETATM   43  N   UNL     1       8.452   1.833  -0.924  1.00  0.00           N  
HETATM   44  O   UNL     1       1.999  -5.838   1.786  1.00  0.00           O  
HETATM   45  O   UNL     1       0.308  -5.797  -0.019  1.00  0.00           O  
HETATM   46  O   UNL     1       1.949   1.235  -0.134  1.00  0.00           O  
HETATM   47  O   UNL     1       7.100   1.923  -2.743  1.00  0.00           O  
HETATM   48  O   UNL     1      10.779   0.048  -2.089  1.00  0.00           O  
HETATM   49  S   UNL     1      -5.950   0.608  -1.335  1.00  0.00           S  
HETATM   50  S   UNL     1       0.643  -5.825   1.362  1.00  0.00           S  
HETATM   51  H   UNL     1       2.178  -2.595   2.212  1.00  0.00           H  
HETATM   52  H   UNL     1       1.450  -1.842   3.655  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.365  -6.992   1.997  1.00  0.00           H  
HETATM   54  H   UNL     1       0.028  -8.093   1.886  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.148  -7.022   3.296  1.00  0.00           H  
HETATM   56  H   UNL     1       1.406  -4.425   3.558  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.143  -3.616   3.899  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.001  -3.877   1.896  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.241  -4.132   0.302  1.00  0.00           H  
HETATM   60  H   UNL     1       0.722   1.596   2.160  1.00  0.00           H  
HETATM   61  H   UNL     1       1.574   0.328   3.073  1.00  0.00           H  
HETATM   62  H   UNL     1       2.840  -0.257   0.984  1.00  0.00           H  
HETATM   63  H   UNL     1       3.025   2.676   1.804  1.00  0.00           H  
HETATM   64  H   UNL     1       3.761   1.318   2.688  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.032  -3.405  -1.024  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.014  -3.724  -2.444  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.492   0.449   0.144  1.00  0.00           H  
HETATM   68  H   UNL     1       4.804  -0.364   0.788  1.00  0.00           H  
HETATM   69  H   UNL     1       5.868   0.475   1.942  1.00  0.00           H  
HETATM   70  H   UNL     1       7.164  -0.360   0.007  1.00  0.00           H  
HETATM   71  H   UNL     1       6.114   0.557  -1.100  1.00  0.00           H  
HETATM   72  H   UNL     1       7.883   1.735   1.093  1.00  0.00           H  
HETATM   73  H   UNL     1       7.136   3.914   0.206  1.00  0.00           H  
HETATM   74  H   UNL     1       6.097   3.089  -0.981  1.00  0.00           H  
HETATM   75  H   UNL     1       5.852   2.885   2.055  1.00  0.00           H  
HETATM   76  H   UNL     1       4.777   3.814   0.983  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.337   2.237  -0.597  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.202   1.500   0.773  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.388   3.482  -1.222  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.253   2.745   0.149  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.690   4.709   1.273  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.972   5.694  -0.023  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.993   6.943   2.113  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.062   5.639   2.890  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.145   7.345   0.528  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.017   6.118   0.764  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.706   5.150   2.091  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.731   5.229  -0.784  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.803   3.903  -0.045  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.462   8.180   2.150  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.116   8.527   2.708  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.199   7.181   3.427  1.00  0.00           H  
HETATM   93  H   UNL     1      10.132   1.080   0.106  1.00  0.00           H  
HETATM   94  H   UNL     1      10.221   2.813  -0.324  1.00  0.00           H  
HETATM   95  H   UNL     1      11.502   2.001  -2.123  1.00  0.00           H  
HETATM   96  H   UNL     1       9.724   2.942  -3.353  1.00  0.00           H  
HETATM   97  H   UNL     1       9.464   1.245  -3.864  1.00  0.00           H  
HETATM   98  H   UNL     1       1.545   2.112  -0.084  1.00  0.00           H  
HETATM   99  H   UNL     1      11.198  -0.231  -2.914  1.00  0.00           H  
CONECT    1    5    2    2                                            
CONECT    2    3    1    1   10                                       
CONECT    3    4    4    9    2                                       
CONECT    4    6    5    3    3                                       
CONECT    5   11    4    1                                            
CONECT    6    8    4   51   52                                       
CONECT    7   50   53   54   55                                       
CONECT    8    6   40   56   57                                       
CONECT    9   40    3   58   59                                       
CONECT   10    2   18   18   14                                       
CONECT   11   12    5   60   61                                       
CONECT   12   46   13   11   62                                       
CONECT   13   41   12   63   64                                       
CONECT   14   10   15   15   65                                       
CONECT   15   14   14   16   66                                       
CONECT   16   17   17   15   24                                       
CONECT   17   18   49   16   16                                       
CONECT   18   10   10   17   67                                       
CONECT   19   20   41   68   69                                       
CONECT   20   21   19   70   71                                       
CONECT   21   43   20   22   72                                       
CONECT   22   21   23   73   74                                       
CONECT   23   22   41   75   76                                       
CONECT   24   16   37   38   39                                       
CONECT   25   26   49   77   78                                       
CONECT   26   42   25   79   80                                       
CONECT   27   28   42   81   82                                       
CONECT   28   29   27   83   84                                       
CONECT   29   32   30   28   85                                       
CONECT   30   29   31   86   87                                       
CONECT   31   30   42   88   89                                       
CONECT   32   29   90   91   92                                       
CONECT   33   34   43   93   94                                       
CONECT   34   35   48   33   95                                       
CONECT   35   36   34   96   97                                       
CONECT   36   35   47   47   43                                       
CONECT   37   24                                                      
CONECT   38   24                                                      
CONECT   39   24                                                      
CONECT   40    8   50    9                                            
CONECT   41   19   23   13                                            
CONECT   42   31   27   26                                            
CONECT   43   36   33   21                                            
CONECT   44   50   50                                                 
CONECT   45   50   50                                                 
CONECT   46   12   98                                                 
CONECT   47   36   36                                                 
CONECT   48   34   99                                                 
CONECT   49   25   17                                                 
CONECT   50   45   45   40    7                                       
CONECT   50   44   44                                                 
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   46                                                      
CONECT   99   48                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
