COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.815   3.999  -2.879  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.810   5.088  -2.027  1.00  0.00           C  
HETATM    3  C   UNL     1       3.546  -0.012  -0.890  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.560   2.734  -2.387  1.00  0.00           C  
HETATM    5  C   UNL     1       2.234   0.414  -0.968  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.549   4.915  -0.681  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.463  -2.450  -0.663  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.019  -4.327  -0.312  1.00  0.00           C  
HETATM    9  C   UNL     1       2.892   2.596  -0.200  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.397  -4.592  -0.110  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.137  -0.821   0.250  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.192  -2.990  -0.614  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.455  -0.441   0.090  1.00  0.00           C  
HETATM   14  C   UNL     1       4.536   0.860  -0.462  1.00  0.00           C  
HETATM   15  C   UNL     1       1.904   1.717  -0.624  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.292   2.557  -1.036  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.568  -3.249  -0.408  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.121  -5.131  -0.056  1.00  0.00           C  
HETATM   19  C   UNL     1       4.206   2.167  -0.111  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.293   3.653  -0.182  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.726   0.854  -0.359  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.460   1.271  -0.444  1.00  0.00           C  
HETATM   23  C   UNL     1       7.498  -0.981   0.783  1.00  0.00           C  
HETATM   24  C   UNL     1       7.850  -0.336  -1.602  1.00  0.00           C  
HETATM   25  C   UNL     1       6.016  -0.636   0.619  1.00  0.00           C  
HETATM   26  C   UNL     1       6.358  -0.009  -1.696  1.00  0.00           C  
HETATM   27  C   UNL     1       9.726  -2.927   0.376  1.00  0.00           C  
HETATM   28  C   UNL     1      10.203  -0.566   0.147  1.00  0.00           C  
HETATM   29  C   UNL     1      11.226  -3.226   0.428  1.00  0.00           C  
HETATM   30  C   UNL     1      11.703  -0.864   0.199  1.00  0.00           C  
HETATM   31  C   UNL     1       8.061  -1.442  -0.565  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.495   0.620   2.805  1.00  0.00           C  
HETATM   33  C   UNL     1      13.368  -2.349   1.140  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.909  -3.597  -0.178  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.128  -7.212   0.498  1.00  0.00           C  
HETATM   36  C   UNL     1       4.764   4.349   0.654  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.993  -2.120  -0.892  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.576  -1.402   0.393  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.544   1.257   1.789  1.00  0.00           C  
HETATM   40  N   UNL     1      -0.175   0.048  -0.020  1.00  0.00           N  
HETATM   41  N   UNL     1      -1.711   1.672  -0.616  1.00  0.00           N  
HETATM   42  N   UNL     1       5.867   0.427  -0.383  1.00  0.00           N  
HETATM   43  N   UNL     1       9.497  -1.719  -0.428  1.00  0.00           N  
HETATM   44  N   UNL     1      11.932  -2.072   1.004  1.00  0.00           N  
HETATM   45  N   UNL     1      -4.034   1.278  -0.534  1.00  0.00           N  
HETATM   46  N   UNL     1       0.575   2.150  -0.715  1.00  0.00           N  
HETATM   47  N   UNL     1      -5.256   2.637   2.188  1.00  0.00           N  
HETATM   48  O   UNL     1      -2.856   2.542   1.618  1.00  0.00           O  
HETATM   49  O   UNL     1      -3.954   4.732   2.111  1.00  0.00           O  
HETATM   50  O   UNL     1      -8.817  -2.716  -0.451  1.00  0.00           O  
HETATM   51  O   UNL     1      -5.949  -6.444   0.246  1.00  0.00           O  
HETATM   52  O   UNL     1       5.174   3.024   0.309  1.00  0.00           O  
HETATM   53  S   UNL     1      -3.959   3.434   1.534  1.00  0.00           S  
HETATM   54  H   UNL     1      -5.024   4.136  -3.930  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.009   6.076  -2.415  1.00  0.00           H  
HETATM   56  H   UNL     1       3.801  -1.027  -1.159  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.570   1.883  -3.052  1.00  0.00           H  
HETATM   58  H   UNL     1       1.464  -0.269  -1.298  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.544   5.768  -0.018  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.595  -1.404  -0.896  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.024  -4.747  -0.271  1.00  0.00           H  
HETATM   62  H   UNL     1       2.635   3.610   0.067  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.256  -5.216   0.089  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.894  -1.815   0.596  1.00  0.00           H  
HETATM   65  H   UNL     1       8.042  -0.099   1.122  1.00  0.00           H  
HETATM   66  H   UNL     1       7.607  -1.780   1.516  1.00  0.00           H  
HETATM   67  H   UNL     1       8.210  -0.675  -2.574  1.00  0.00           H  
HETATM   68  H   UNL     1       8.399   0.556  -1.301  1.00  0.00           H  
HETATM   69  H   UNL     1       5.470  -1.521   0.293  1.00  0.00           H  
HETATM   70  H   UNL     1       5.615  -0.293   1.574  1.00  0.00           H  
HETATM   71  H   UNL     1       6.205   0.788  -2.424  1.00  0.00           H  
HETATM   72  H   UNL     1       5.811  -0.898  -2.012  1.00  0.00           H  
HETATM   73  H   UNL     1       9.203  -3.770  -0.077  1.00  0.00           H  
HETATM   74  H   UNL     1       9.351  -2.768   1.387  1.00  0.00           H  
HETATM   75  H   UNL     1       9.834  -0.379   1.156  1.00  0.00           H  
HETATM   76  H   UNL     1      10.028   0.314  -0.472  1.00  0.00           H  
HETATM   77  H   UNL     1      11.401  -4.105   1.048  1.00  0.00           H  
HETATM   78  H   UNL     1      11.595  -3.412  -0.580  1.00  0.00           H  
HETATM   79  H   UNL     1      12.078  -1.023  -0.812  1.00  0.00           H  
HETATM   80  H   UNL     1      12.226  -0.021   0.652  1.00  0.00           H  
HETATM   81  H   UNL     1       7.543  -2.346  -0.886  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.639  -0.431   2.558  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.067   0.703   3.804  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.455   1.135   2.777  1.00  0.00           H  
HETATM   85  H   UNL     1      13.856  -1.507   1.630  1.00  0.00           H  
HETATM   86  H   UNL     1      13.509  -3.249   1.740  1.00  0.00           H  
HETATM   87  H   UNL     1      13.806  -2.499   0.153  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.912  -4.408  -0.906  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.800  -4.010   0.825  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.847  -3.045  -0.244  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.666  -6.784   1.344  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.768  -7.195  -0.385  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.851  -8.241   0.726  1.00  0.00           H  
HETATM   94  H   UNL     1       5.631   4.927   0.971  1.00  0.00           H  
HETATM   95  H   UNL     1       4.308   4.825  -0.214  1.00  0.00           H  
HETATM   96  H   UNL     1       4.039   4.305   1.467  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.169  -2.739  -1.246  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.248  -1.383  -1.654  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.239  -2.135   1.126  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.427  -0.852   0.794  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.616   0.687   1.754  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.010   1.253   0.804  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.770   0.688  -0.309  1.00  0.00           H  
HETATM  104  H   UNL     1       0.379   3.066  -0.967  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.824   3.083   2.834  1.00  0.00           H  
CONECT    1    2    4    4   54                                       
CONECT    2    6    6    1   55                                       
CONECT    3   14    5    5   56                                       
CONECT    4    1    1   16   57                                       
CONECT    5    3    3   15   58                                       
CONECT    6    2    2   20   59                                       
CONECT    7   12   12   17   60                                       
CONECT    8   12   18   18   61                                       
CONECT    9   19   15   15   62                                       
CONECT   10   17   17   18   63                                       
CONECT   11   13   13   40   64                                       
CONECT   12   37    7    7    8                                       
CONECT   13   21   38   11   11                                       
CONECT   14   42   19   19    3                                       
CONECT   15    9    9    5   46                                       
CONECT   16   20   20    4   45                                       
CONECT   17    7   50   10   10                                       
CONECT   18    8    8   10   51                                       
CONECT   19   52   14   14    9                                       
CONECT   20    6   53   16   16                                       
CONECT   21   45   41   41   13                                       
CONECT   22   41   46   40   40                                       
CONECT   23   31   25   65   66                                       
CONECT   24   31   26   67   68                                       
CONECT   25   23   42   69   70                                       
CONECT   26   24   42   71   72                                       
CONECT   27   29   43   73   74                                       
CONECT   28   30   43   75   76                                       
CONECT   29   44   27   77   78                                       
CONECT   30   44   28   79   80                                       
CONECT   31   43   24   23   81                                       
CONECT   32   39   82   83   84                                       
CONECT   33   44   85   86   87                                       
CONECT   34   50   88   89   90                                       
CONECT   35   51   91   92   93                                       
CONECT   36   52   94   95   96                                       
CONECT   37   12   38   97   98                                       
CONECT   38   37   13   99  100                                       
CONECT   39   32   47  101  102                                       
CONECT   40   22   22   11                                            
CONECT   41   21   21   22                                            
CONECT   42   26   25   14                                            
CONECT   43   28   27   31                                            
CONECT   44   33   30   29                                            
CONECT   45   16   21  103                                            
CONECT   46   15   22  104                                            
CONECT   47   39   53  105                                            
CONECT   48   53   53                                                 
CONECT   49   53   53                                                 
CONECT   50   34   17                                                 
CONECT   51   35   18                                                 
CONECT   52   36   19                                                 
CONECT   53   49   49   20   47                                       
CONECT   53   48   48                                                 
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   35                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   39                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
