COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -27.519  -0.464  -1.023  1.00  0.00           C  
HETATM    2  C   UNL     1     -27.405  -0.628  -4.781  1.00  0.00           C  
HETATM    3  C   UNL     1     -31.257  -1.698  -7.367  1.00  0.00           C  
HETATM    4  C   UNL     1     -29.305  -0.817 -10.126  1.00  0.00           C  
HETATM    5  C   UNL     1     -26.885  -0.636  -6.236  1.00  0.00           C  
HETATM    6  C   UNL     1     -24.749   0.178  -8.746  1.00  0.00           C  
HETATM    7  C   UNL     1     -22.065  -2.615  -7.488  1.00  0.00           C  
HETATM    8  C   UNL     1     -20.614  -2.986  -7.776  1.00  0.00           C  
HETATM    9  C   UNL     1     -34.112   0.345  -4.223  1.00  0.00           C  
HETATM   10  C   UNL     1     -24.880  -2.177   1.149  1.00  0.00           C  
HETATM   11  C   UNL     1     -28.863  -2.200  -3.880  1.00  0.00           C  
HETATM   12  C   UNL     1     -31.034  -1.271  -5.926  1.00  0.00           C  
HETATM   13  C   UNL     1     -30.156  -2.691  -7.865  1.00  0.00           C  
HETATM   14  C   UNL     1     -29.237  -2.351 -10.215  1.00  0.00           C  
HETATM   15  C   UNL     1     -27.228   0.637 -10.569  1.00  0.00           C  
HETATM   16  C   UNL     1     -27.071   0.879  -9.080  1.00  0.00           C  
HETATM   17  C   UNL     1     -26.295   2.145  -8.670  1.00  0.00           C  
HETATM   18  C   UNL     1     -28.840   1.808  -0.827  1.00  0.00           C  
HETATM   19  C   UNL     1     -27.813   0.833  -0.278  1.00  0.00           C  
HETATM   20  C   UNL     1     -27.662  -1.891  -2.929  1.00  0.00           C  
HETATM   21  C   UNL     1     -26.686  -1.624  -3.708  1.00  0.00           C  
HETATM   22  C   UNL     1     -29.647  -0.598  -5.874  1.00  0.00           C  
HETATM   23  C   UNL     1     -30.367  -2.990  -9.374  1.00  0.00           C  
HETATM   24  C   UNL     1     -28.220  -0.153 -11.014  1.00  0.00           C  
HETATM   25  C   UNL     1     -25.969   0.775  -8.064  1.00  0.00           C  
HETATM   26  C   UNL     1     -20.957  -2.094  -6.576  1.00  0.00           C  
HETATM   27  C   UNL     1     -32.988  -0.660  -4.472  1.00  0.00           C  
HETATM   28  C   UNL     1     -25.889  -1.143   0.667  1.00  0.00           C  
HETATM   29  C   UNL     1     -24.143  -1.879   2.445  1.00  0.00           C  
HETATM   30  C   UNL     1     -23.033  -4.000   2.248  1.00  0.00           C  
HETATM   31  C   UNL     1     -24.422  -0.599   3.229  1.00  0.00           C  
HETATM   32  C   UNL     1     -25.418   0.426   2.736  1.00  0.00           C  
HETATM   33  C   UNL     1     -26.160   0.127   1.430  1.00  0.00           C  
HETATM   34  C   UNL     1     -23.039  -3.717  -6.973  1.00  0.00           C  
HETATM   35  C   UNL     1     -33.894   1.162  -2.945  1.00  0.00           C  
HETATM   36  C   UNL     1     -36.151  -0.529  -5.379  1.00  0.00           C  
HETATM   37  C   UNL     1     -32.514   1.872  -2.988  1.00  0.00           C  
HETATM   38  C   UNL     1     -33.937   0.230  -1.706  1.00  0.00           C  
HETATM   39  C   UNL     1     -34.996   2.251  -2.856  1.00  0.00           C  
HETATM   40  C   UNL     1     -37.462  -1.346  -5.358  1.00  0.00           C  
HETATM   41  N   UNL     1     -28.643  -1.075  -4.912  1.00  0.00           N  
HETATM   42  N   UNL     1     -26.262   0.612  -6.661  1.00  0.00           N  
HETATM   43  N   UNL     1     -24.030  -0.755  -7.956  1.00  0.00           N  
HETATM   44  N   UNL     1     -32.091  -0.360  -5.588  1.00  0.00           N  
HETATM   45  N   UNL     1     -35.337  -0.421  -4.167  1.00  0.00           N  
HETATM   46  N   UNL     1     -26.565  -1.435  -0.584  1.00  0.00           N  
HETATM   47  N   UNL     1     -27.126   1.104   0.955  1.00  0.00           N  
HETATM   48  O   UNL     1     -28.191  -0.678  -2.211  1.00  0.00           O  
HETATM   49  O   UNL     1     -29.377   0.279  -6.610  1.00  0.00           O  
HETATM   50  O   UNL     1     -27.000  -1.597  -6.958  1.00  0.00           O  
HETATM   51  O   UNL     1     -23.179  -2.200  -9.851  1.00  0.00           O  
HETATM   52  O   UNL     1     -21.697  -0.500  -9.152  1.00  0.00           O  
HETATM   53  O   UNL     1     -32.832  -1.639  -3.823  1.00  0.00           O  
HETATM   54  O   UNL     1     -23.218  -2.780   2.947  1.00  0.00           O  
HETATM   55  O   UNL     1     -35.803   0.015  -6.374  1.00  0.00           O  
HETATM   56  O   UNL     1     -24.398   0.467  -9.857  1.00  0.00           O  
HETATM   57  S   UNL     1     -22.714  -1.441  -8.691  1.00  0.00           S  
HETATM   58  H   UNL     1     -27.362   0.397  -4.384  1.00  0.00           H  
HETATM   59  H   UNL     1     -31.244  -0.804  -8.008  1.00  0.00           H  
HETATM   60  H   UNL     1     -32.238  -2.189  -7.443  1.00  0.00           H  
HETATM   61  H   UNL     1     -29.149  -0.511  -9.081  1.00  0.00           H  
HETATM   62  H   UNL     1     -30.298  -0.482 -10.462  1.00  0.00           H  
HETATM   63  H   UNL     1     -20.267  -4.017  -7.614  1.00  0.00           H  
HETATM   64  H   UNL     1     -20.100  -2.559  -8.650  1.00  0.00           H  
HETATM   65  H   UNL     1     -34.152   1.039  -5.075  1.00  0.00           H  
HETATM   66  H   UNL     1     -24.696  -3.084   0.593  1.00  0.00           H  
HETATM   67  H   UNL     1     -29.831  -2.106  -3.367  1.00  0.00           H  
HETATM   68  H   UNL     1     -28.784  -3.199  -4.334  1.00  0.00           H  
HETATM   69  H   UNL     1     -31.043  -2.152  -5.267  1.00  0.00           H  
HETATM   70  H   UNL     1     -30.223  -3.628  -7.293  1.00  0.00           H  
HETATM   71  H   UNL     1     -29.163  -2.241  -7.716  1.00  0.00           H  
HETATM   72  H   UNL     1     -29.348  -2.658 -11.265  1.00  0.00           H  
HETATM   73  H   UNL     1     -28.264  -2.694  -9.834  1.00  0.00           H  
HETATM   74  H   UNL     1     -26.546   1.097 -11.268  1.00  0.00           H  
HETATM   75  H   UNL     1     -28.053   0.864  -8.585  1.00  0.00           H  
HETATM   76  H   UNL     1     -25.597   2.619  -9.375  1.00  0.00           H  
HETATM   77  H   UNL     1     -26.782   2.920  -8.059  1.00  0.00           H  
HETATM   78  H   UNL     1     -28.929   2.668  -0.147  1.00  0.00           H  
HETATM   79  H   UNL     1     -28.520   2.157  -1.820  1.00  0.00           H  
HETATM   80  H   UNL     1     -29.815   1.305  -0.911  1.00  0.00           H  
HETATM   81  H   UNL     1     -27.496  -2.727  -2.234  1.00  0.00           H  
HETATM   82  H   UNL     1     -26.299  -2.531  -4.196  1.00  0.00           H  
HETATM   83  H   UNL     1     -25.869  -1.118  -3.173  1.00  0.00           H  
HETATM   84  H   UNL     1     -31.335  -2.576  -9.693  1.00  0.00           H  
HETATM   85  H   UNL     1     -30.364  -4.079  -9.531  1.00  0.00           H  
HETATM   86  H   UNL     1     -28.265  -0.341 -12.076  1.00  0.00           H  
HETATM   87  H   UNL     1     -20.857  -2.485  -5.553  1.00  0.00           H  
HETATM   88  H   UNL     1     -20.690  -1.027  -6.589  1.00  0.00           H  
HETATM   89  H   UNL     1     -22.273  -4.607   2.763  1.00  0.00           H  
HETATM   90  H   UNL     1     -23.984  -4.552   2.217  1.00  0.00           H  
HETATM   91  H   UNL     1     -22.699  -3.787   1.222  1.00  0.00           H  
HETATM   92  H   UNL     1     -23.896  -0.422   4.156  1.00  0.00           H  
HETATM   93  H   UNL     1     -25.600   1.338   3.286  1.00  0.00           H  
HETATM   94  H   UNL     1     -22.517  -4.360  -6.249  1.00  0.00           H  
HETATM   95  H   UNL     1     -23.903  -3.243  -6.485  1.00  0.00           H  
HETATM   96  H   UNL     1     -23.385  -4.326  -7.821  1.00  0.00           H  
HETATM   97  H   UNL     1     -32.371   2.454  -2.065  1.00  0.00           H  
HETATM   98  H   UNL     1     -31.717   1.119  -3.073  1.00  0.00           H  
HETATM   99  H   UNL     1     -32.476   2.546  -3.856  1.00  0.00           H  
HETATM  100  H   UNL     1     -33.780   0.824  -0.794  1.00  0.00           H  
HETATM  101  H   UNL     1     -34.917  -0.267  -1.655  1.00  0.00           H  
HETATM  102  H   UNL     1     -33.145  -0.529  -1.790  1.00  0.00           H  
HETATM  103  H   UNL     1     -34.852   2.846  -1.942  1.00  0.00           H  
HETATM  104  H   UNL     1     -34.933   2.909  -3.735  1.00  0.00           H  
HETATM  105  H   UNL     1     -35.985   1.770  -2.828  1.00  0.00           H  
HETATM  106  H   UNL     1     -37.934  -1.309  -6.351  1.00  0.00           H  
HETATM  107  H   UNL     1     -37.238  -2.391  -5.097  1.00  0.00           H  
HETATM  108  H   UNL     1     -38.147  -0.920  -4.611  1.00  0.00           H  
HETATM  109  H   UNL     1     -26.045   1.332  -6.001  1.00  0.00           H  
HETATM  110  H   UNL     1     -24.299  -0.983  -7.020  1.00  0.00           H  
HETATM  111  H   UNL     1     -32.214   0.480  -6.116  1.00  0.00           H  
HETATM  112  H   UNL     1     -35.622  -0.867  -3.319  1.00  0.00           H  
CONECT    1   48   46   46   19                                       
CONECT    2    5   41   21   58                                       
CONECT    3   13   12   59   60                                       
CONECT    4   24   14   61   62                                       
CONECT    5   50   50   42    2                                       
CONECT    6   56   56   25   43                                       
CONECT    7   57    8   34   26                                       
CONECT    8    7   26   63   64                                       
CONECT    9   27   45   35   65                                       
CONECT   10   28   28   29   66                                       
CONECT   11   41   20   67   68                                       
CONECT   12    3   22   44   69                                       
CONECT   13   23    3   70   71                                       
CONECT   14    4   23   72   73                                       
CONECT   15   24   24   16   74                                       
CONECT   16   15   17   25   75                                       
CONECT   17   16   25   76   77                                       
CONECT   18   19   78   79   80                                       
CONECT   19    1   18   47   47                                       
CONECT   20   11   21   48   81                                       
CONECT   21    2   20   82   83                                       
CONECT   22   49   49   12   41                                       
CONECT   23   14   13   84   85                                       
CONECT   24   15   15    4   86                                       
CONECT   25   16    6   17   42                                       
CONECT   26    8    7   87   88                                       
CONECT   27   44    9   53   53                                       
CONECT   28   46   10   10   33                                       
CONECT   29   10   54   31   31                                       
CONECT   30   54   89   90   91                                       
CONECT   31   29   29   32   92                                       
CONECT   32   33   33   31   93                                       
CONECT   33   28   47   32   32                                       
CONECT   34    7   94   95   96                                       
CONECT   35    9   37   39   38                                       
CONECT   36   55   55   40   45                                       
CONECT   37   35   97   98   99                                       
CONECT   38   35  100  101  102                                       
CONECT   39   35  103  104  105                                       
CONECT   40   36  106  107  108                                       
CONECT   41   22    2   11                                            
CONECT   42   25    5  109                                            
CONECT   43    6   57  110                                            
CONECT   44   12   27  111                                            
CONECT   45   36    9  112                                            
CONECT   46    1    1   28                                            
CONECT   47   19   19   33                                            
CONECT   48   20    1                                                 
CONECT   49   22   22                                                 
CONECT   50    5    5                                                 
CONECT   51   57   57                                                 
CONECT   52   57   57                                                 
CONECT   53   27   27                                                 
CONECT   54   30   29                                                 
CONECT   55   36   36                                                 
CONECT   56    6    6                                                 
CONECT   57   51   51   52   52                                       
CONECT   57   43    7                                                 
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    4                                                      
CONECT   63    8                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   17                                                      
CONECT   78   18                                                      
CONECT   79   18                                                      
CONECT   80   18                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   24                                                      
CONECT   87   26                                                      
CONECT   88   26                                                      
CONECT   89   30                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   31                                                      
CONECT   93   32                                                      
CONECT   94   34                                                      
CONECT   95   34                                                      
CONECT   96   34                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   38                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   39                                                      
CONECT  105   39                                                      
CONECT  106   40                                                      
CONECT  107   40                                                      
CONECT  108   40                                                      
CONECT  109   42                                                      
CONECT  110   43                                                      
CONECT  111   44                                                      
CONECT  112   45                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
