COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.337   1.648   0.733  1.00  0.00           C  
HETATM    2  C   UNL     1       0.055  -0.881   1.906  1.00  0.00           C  
HETATM    3  C   UNL     1       0.428   0.293   2.850  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.414  -0.540   1.551  1.00  0.00           C  
HETATM    5  C   UNL     1       1.467   6.751  -1.251  1.00  0.00           C  
HETATM    6  C   UNL     1       2.290   5.518  -0.870  1.00  0.00           C  
HETATM    7  C   UNL     1       1.878   5.041   0.524  1.00  0.00           C  
HETATM    8  C   UNL     1       2.936   5.090   1.628  1.00  0.00           C  
HETATM    9  C   UNL     1       2.506   3.744   1.040  1.00  0.00           C  
HETATM   10  N   UNL     1       1.673   2.876   1.876  1.00  0.00           N  
HETATM   11  C   UNL     1       0.578   2.287   1.355  1.00  0.00           C  
HETATM   12  O   UNL     1       0.333   2.402   0.172  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.340   1.484   2.240  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.445   0.930   1.444  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.328   2.859   0.793  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.343   0.945  -0.142  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.607   1.686  -0.125  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.765   1.048  -0.386  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.761  -0.141  -0.635  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.927   1.729  -0.370  1.00  0.00           O  
HETATM   21  C   UNL     1      -8.135   0.978  -0.660  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.300  -0.141   0.371  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.344   1.913  -0.597  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.034   0.369  -2.060  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.812   0.875  -1.575  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.498   0.091  -1.594  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.838   0.172  -2.465  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.569   2.292  -2.098  1.00  0.00           C  
HETATM   29  O   UNL     1       0.140  -2.134   2.588  1.00  0.00           O  
HETATM   30  C   UNL     1       0.462  -3.220   1.842  1.00  0.00           C  
HETATM   31  C   UNL     1       0.560  -4.479   2.454  1.00  0.00           C  
HETATM   32  C   UNL     1       0.308  -4.611   3.934  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.177  -4.892   4.174  1.00  0.00           C  
HETATM   34  N   UNL     1       0.870  -5.542   1.750  1.00  0.00           N  
HETATM   35  C   UNL     1       1.094  -5.428   0.436  1.00  0.00           C  
HETATM   36  C   UNL     1       1.427  -6.552  -0.341  1.00  0.00           C  
HETATM   37  C   UNL     1       1.651  -6.410  -1.675  1.00  0.00           C  
HETATM   38  C   UNL     1       1.554  -5.157  -2.289  1.00  0.00           C  
HETATM   39  C   UNL     1       1.233  -4.044  -1.564  1.00  0.00           C  
HETATM   40  C   UNL     1       0.996  -4.157  -0.185  1.00  0.00           C  
HETATM   41  N   UNL     1       0.674  -3.085   0.548  1.00  0.00           N  
HETATM   42  O   UNL     1       1.783  -5.045  -3.624  1.00  0.00           O  
HETATM   43  C   UNL     1       2.114  -6.244  -4.328  1.00  0.00           C  
HETATM   44  C   UNL     1       3.482   3.036   0.137  1.00  0.00           C  
HETATM   45  O   UNL     1       4.128   3.667  -0.672  1.00  0.00           O  
HETATM   46  N   UNL     1       3.638   1.700   0.229  1.00  0.00           N  
HETATM   47  S   UNL     1       4.797   0.937  -0.674  1.00  0.00           S  
HETATM   48  O   UNL     1       4.652  -0.437  -0.343  1.00  0.00           O  
HETATM   49  O   UNL     1       4.569   1.399  -1.999  1.00  0.00           O  
HETATM   50  C   UNL     1       6.367   1.584  -0.036  1.00  0.00           C  
HETATM   51  C   UNL     1       7.650   1.157  -0.750  1.00  0.00           C  
HETATM   52  C   UNL     1       7.126   2.586  -0.909  1.00  0.00           C  
HETATM   53  H   UNL     1       0.683  -0.880   1.014  1.00  0.00           H  
HETATM   54  H   UNL     1       0.087   0.093   3.866  1.00  0.00           H  
HETATM   55  H   UNL     1       1.502   0.476   2.831  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.690  -0.995   0.600  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.083  -0.876   2.343  1.00  0.00           H  
HETATM   58  H   UNL     1       0.408   6.494  -1.253  1.00  0.00           H  
HETATM   59  H   UNL     1       1.647   7.545  -0.527  1.00  0.00           H  
HETATM   60  H   UNL     1       1.761   7.091  -2.244  1.00  0.00           H  
HETATM   61  H   UNL     1       2.111   4.723  -1.594  1.00  0.00           H  
HETATM   62  H   UNL     1       3.350   5.775  -0.868  1.00  0.00           H  
HETATM   63  H   UNL     1       0.846   5.248   0.805  1.00  0.00           H  
HETATM   64  H   UNL     1       3.925   5.462   1.362  1.00  0.00           H  
HETATM   65  H   UNL     1       2.599   5.329   2.637  1.00  0.00           H  
HETATM   66  H   UNL     1       1.908   2.725   2.805  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.734   2.117   3.035  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.509  -0.065   0.234  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.610   2.635   0.074  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.372   0.293   1.368  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.207  -0.705   0.153  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.438  -0.807   0.326  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.227   2.709  -1.331  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.251   1.349  -0.814  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.417   2.346   0.401  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.172  -0.297  -2.106  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.941  -0.195  -2.278  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.916   1.166  -2.795  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.687  -0.942  -1.302  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.077   0.113  -2.599  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.795   0.544  -0.895  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.774   0.730  -2.452  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.460   0.122  -3.486  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.012  -0.838  -2.092  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.837   2.793  -1.464  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.190   2.242  -3.119  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.504   2.850  -2.085  1.00  0.00           H  
HETATM   88  H   UNL     1       0.902  -5.434   4.331  1.00  0.00           H  
HETATM   89  H   UNL     1       0.589  -3.685   4.434  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.771  -4.070   3.777  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.457  -5.819   3.674  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.359  -4.988   5.245  1.00  0.00           H  
HETATM   93  H   UNL     1       1.505  -7.525   0.120  1.00  0.00           H  
HETATM   94  H   UNL     1       1.906  -7.276  -2.267  1.00  0.00           H  
HETATM   95  H   UNL     1       1.162  -3.082  -2.050  1.00  0.00           H  
HETATM   96  H   UNL     1       2.271  -6.014  -5.382  1.00  0.00           H  
HETATM   97  H   UNL     1       3.026  -6.670  -3.909  1.00  0.00           H  
HETATM   98  H   UNL     1       1.299  -6.960  -4.229  1.00  0.00           H  
HETATM   99  H   UNL     1       3.070   1.185   0.825  1.00  0.00           H  
HETATM  100  H   UNL     1       6.414   1.721   1.045  1.00  0.00           H  
HETATM  101  H   UNL     1       8.542   1.013  -0.140  1.00  0.00           H  
HETATM  102  H   UNL     1       7.551   0.487  -1.604  1.00  0.00           H  
HETATM  103  H   UNL     1       6.682   2.855  -1.867  1.00  0.00           H  
HETATM  104  H   UNL     1       7.672   3.381  -0.403  1.00  0.00           H  
CONECT    1   14   15   15   16                                       
CONECT    2    3    4   29   53                                       
CONECT    3    2   13   54   55                                       
CONECT    4    2   14   56   57                                       
CONECT    5    6   58   59   60                                       
CONECT    6    5    7   61   62                                       
CONECT    7    6    8    9   63                                       
CONECT    8    7    9   64   65                                       
CONECT    9    7    8   10   44                                       
CONECT   10    9   11   66                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13    3   11   14   67                                       
CONECT   14    1    4   13                                            
CONECT   15    1    1                                                 
CONECT   16    1   17   25   68                                       
CONECT   17   16   18   69                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   23   24                                       
CONECT   22   21   70   71   72                                       
CONECT   23   21   73   74   75                                       
CONECT   24   21   76   77   78                                       
CONECT   25   16   26   27   28                                       
CONECT   26   25   79   80   81                                       
CONECT   27   25   82   83   84                                       
CONECT   28   25   85   86   87                                       
CONECT   29    2   30                                                 
CONECT   30   29   31   31   41                                       
CONECT   31   30   30   32   34                                       
CONECT   32   31   33   88   89                                       
CONECT   33   32   90   91   92                                       
CONECT   34   31   35   35                                            
CONECT   35   34   34   36   40                                       
CONECT   36   35   37   37   93                                       
CONECT   37   36   36   38   94                                       
CONECT   38   37   39   39   42                                       
CONECT   39   38   38   40   95                                       
CONECT   40   35   39   41   41                                       
CONECT   41   30   40   40                                            
CONECT   42   38   43                                                 
CONECT   43   42   96   97   98                                       
CONECT   44    9   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   47   99                                            
CONECT   47   46   48   48   49                                       
CONECT   47   49   50                                                 
CONECT   48   47   47                                                 
CONECT   49   47   47                                                 
CONECT   50   47   51   52  100                                       
CONECT   51   50   52  101  102                                       
CONECT   52   50   51  103  104                                       
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66   10                                                      
CONECT   67   13                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   33                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   39                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   46                                                      
CONECT  100   50                                                      
CONECT  101   51                                                      
CONECT  102   51                                                      
CONECT  103   52                                                      
CONECT  104   52                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
