COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.869   4.478   1.581  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.576   2.562   3.218  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.051   2.156   0.863  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.179   2.547  -0.278  1.00  0.00           O  
HETATM    5  N   UNL     1      -3.838   3.040   1.859  1.00  0.00           N  
HETATM    6  N   UNL     1      -4.272  -0.068  -0.083  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.184  -0.593  -0.681  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.310  -1.292  -1.664  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.130   0.682   1.168  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.596  -0.247  -0.683  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.448  -0.898  -2.059  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.433  -1.133   0.204  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.787  -0.888   0.345  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.850  -2.193   0.872  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.555  -1.700   1.158  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.618  -3.004   1.685  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.970  -2.757   1.830  1.00  0.00           C  
HETATM   18  C   UNL     1       0.604  -0.803  -0.404  1.00  0.00           C  
HETATM   19  O   UNL     1       0.711  -0.312   0.700  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.755  -0.940  -1.040  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.811  -0.311  -0.128  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.759  -0.226  -2.393  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.313   1.202  -2.209  1.00  0.00           C  
HETATM   24  C   UNL     1       0.737   1.717  -2.848  1.00  0.00           C  
HETATM   25  S   UNL     1       0.910   3.399  -2.352  1.00  0.00           S  
HETATM   26  C   UNL     1      -0.452   3.247  -1.329  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.935   2.046  -1.405  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.967   4.262  -0.539  1.00  0.00           N  
HETATM   29  C   UNL     1       3.685   0.153  -0.680  1.00  0.00           C  
HETATM   30  C   UNL     1       3.010  -1.191  -0.402  1.00  0.00           C  
HETATM   31  C   UNL     1       3.885  -2.323  -0.945  1.00  0.00           C  
HETATM   32  C   UNL     1       3.244  -3.670  -0.607  1.00  0.00           C  
HETATM   33  C   UNL     1       4.051  -4.796  -1.256  1.00  0.00           C  
HETATM   34  C   UNL     1       3.410  -6.144  -0.918  1.00  0.00           C  
HETATM   35  C   UNL     1       3.396  -6.335   0.600  1.00  0.00           C  
HETATM   36  C   UNL     1       2.588  -5.209   1.249  1.00  0.00           C  
HETATM   37  C   UNL     1       3.230  -3.862   0.911  1.00  0.00           C  
HETATM   38  N   UNL     1       1.702  -1.226  -1.061  1.00  0.00           N  
HETATM   39  O   UNL     1       2.822   1.214  -0.265  1.00  0.00           O  
HETATM   40  N   UNL     1       6.118   2.075   1.021  1.00  0.00           N  
HETATM   41  C   UNL     1       5.676   1.566  -0.142  1.00  0.00           C  
HETATM   42  O   UNL     1       5.800   2.098  -1.224  1.00  0.00           O  
HETATM   43  C   UNL     1       5.001   0.233   0.096  1.00  0.00           C  
HETATM   44  C   UNL     1       4.733   0.210   1.619  1.00  0.00           C  
HETATM   45  C   UNL     1       5.817   1.178   2.144  1.00  0.00           C  
HETATM   46  C   UNL     1       6.816   3.356   1.151  1.00  0.00           C  
HETATM   47  C   UNL     1       5.280   1.979   3.332  1.00  0.00           C  
HETATM   48  C   UNL     1       7.069   0.400   2.551  1.00  0.00           C  
HETATM   49  H   UNL     1      -2.855   4.835   1.400  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.482   4.664   0.699  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.293   5.004   2.436  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.519   2.460   3.756  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.078   1.594   3.174  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.937   3.276   3.738  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.220   0.368   1.679  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.991   0.489   1.807  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.081   0.723  -0.790  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.738  -0.327  -2.657  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.085  -1.919  -1.941  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.416  -0.913  -2.560  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.244  -0.062  -0.180  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.793  -2.387   0.758  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.612  -1.508   1.269  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.162  -3.833   2.207  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.570  -3.391   2.466  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.983  -1.995  -1.186  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.653   0.767  -0.079  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.727  -0.736   0.872  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.077  -0.734  -3.074  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.766  -0.241  -2.809  1.00  0.00           H  
HETATM   71  H   UNL     1       1.372   1.194  -3.548  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.508   5.115  -0.483  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.788   4.120  -0.041  1.00  0.00           H  
HETATM   74  H   UNL     1       3.886   0.245  -1.747  1.00  0.00           H  
HETATM   75  H   UNL     1       2.878  -1.317   0.672  1.00  0.00           H  
HETATM   76  H   UNL     1       3.976  -2.225  -2.027  1.00  0.00           H  
HETATM   77  H   UNL     1       4.874  -2.267  -0.491  1.00  0.00           H  
HETATM   78  H   UNL     1       2.222  -3.691  -0.985  1.00  0.00           H  
HETATM   79  H   UNL     1       4.061  -4.660  -2.337  1.00  0.00           H  
HETATM   80  H   UNL     1       5.073  -4.775  -0.877  1.00  0.00           H  
HETATM   81  H   UNL     1       2.388  -6.165  -1.296  1.00  0.00           H  
HETATM   82  H   UNL     1       3.985  -6.946  -1.380  1.00  0.00           H  
HETATM   83  H   UNL     1       2.939  -7.295   0.841  1.00  0.00           H  
HETATM   84  H   UNL     1       4.418  -6.314   0.979  1.00  0.00           H  
HETATM   85  H   UNL     1       1.566  -5.231   0.871  1.00  0.00           H  
HETATM   86  H   UNL     1       2.578  -5.346   2.330  1.00  0.00           H  
HETATM   87  H   UNL     1       4.252  -3.841   1.289  1.00  0.00           H  
HETATM   88  H   UNL     1       2.654  -3.060   1.373  1.00  0.00           H  
HETATM   89  H   UNL     1       1.626  -1.554  -1.971  1.00  0.00           H  
HETATM   90  H   UNL     1       1.967   1.225  -0.717  1.00  0.00           H  
HETATM   91  H   UNL     1       5.661  -0.585  -0.190  1.00  0.00           H  
HETATM   92  H   UNL     1       3.734   0.583   1.845  1.00  0.00           H  
HETATM   93  H   UNL     1       4.875  -0.791   2.025  1.00  0.00           H  
HETATM   94  H   UNL     1       6.914   3.817   0.169  1.00  0.00           H  
HETATM   95  H   UNL     1       6.247   4.015   1.807  1.00  0.00           H  
HETATM   96  H   UNL     1       7.806   3.189   1.575  1.00  0.00           H  
HETATM   97  H   UNL     1       4.384   2.520   3.030  1.00  0.00           H  
HETATM   98  H   UNL     1       5.037   1.299   4.148  1.00  0.00           H  
HETATM   99  H   UNL     1       6.038   2.689   3.664  1.00  0.00           H  
HETATM  100  H   UNL     1       7.841   1.098   2.877  1.00  0.00           H  
HETATM  101  H   UNL     1       6.826  -0.280   3.368  1.00  0.00           H  
HETATM  102  H   UNL     1       7.435  -0.172   1.699  1.00  0.00           H  
CONECT    1    5   49   50   51                                       
CONECT    2    5   52   53   54                                       
CONECT    3    4    4    5    9                                       
CONECT    4    3    3                                                 
CONECT    5    1    2    3                                            
CONECT    6    7    9   10                                            
CONECT    7    6    8    8   21                                       
CONECT    8    7    7                                                 
CONECT    9    6   55   56    3                                       
CONECT   10    6   11   12   57                                       
CONECT   11   10   58   59   60                                       
CONECT   12   10   13   13   14                                       
CONECT   13   12   12   15   61                                       
CONECT   14   12   16   16   62                                       
CONECT   15   13   17   17   63                                       
CONECT   16   14   14   17   64                                       
CONECT   17   15   15   16   65                                       
CONECT   18   19   19   20   38                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   22   66                                       
CONECT   21   20   67   68    7                                       
CONECT   22   20   23   69   70                                       
CONECT   23   22   24   24   27                                       
CONECT   24   23   23   25   71                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   27   23   26   26                                            
CONECT   28   26   72   73                                            
CONECT   29   30   39   74   43                                       
CONECT   30   29   31   38   75                                       
CONECT   31   30   32   76   77                                       
CONECT   32   31   33   37   78                                       
CONECT   33   32   34   79   80                                       
CONECT   34   33   35   81   82                                       
CONECT   35   34   36   83   84                                       
CONECT   36   35   37   85   86                                       
CONECT   37   32   36   87   88                                       
CONECT   38   30   89   18                                            
CONECT   39   29   90                                                 
CONECT   40   41   45   46                                            
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   91   29                                       
CONECT   44   43   45   92   93                                       
CONECT   45   40   44   47   48                                       
CONECT   46   40   94   95   96                                       
CONECT   47   45   97   98   99                                       
CONECT   48   45  100  101  102                                       
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
CONECT   98   47                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   48                                                      
CONECT  102   48                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
