COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.513   4.434   2.593  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.610   4.260   4.110  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.357   3.388   1.912  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.399   3.769   1.088  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.174   2.810   0.463  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.309   3.226  -0.435  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.510   3.640   0.418  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.868   4.408  -1.301  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.906   1.468   0.663  1.00  0.00           C  
HETATM   10  S   UNL     1      -3.894   0.245  -0.132  1.00  0.00           S  
HETATM   11  N   UNL     1      -3.206  -0.065  -1.606  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.826  -0.549  -1.683  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.815  -1.974  -2.241  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.537  -2.892  -1.288  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.837  -3.531  -0.285  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.508  -4.376   0.600  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.764  -5.060   1.682  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.428  -5.897   2.551  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.482  -4.870   1.812  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.880  -4.577   0.458  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.568  -3.936  -0.553  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.899  -3.096  -1.424  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.027   0.351  -2.590  1.00  0.00           C  
HETATM   24  N   UNL     1       0.311   0.209  -2.673  1.00  0.00           N  
HETATM   25  C   UNL     1       1.088   0.996  -3.641  1.00  0.00           C  
HETATM   26  C   UNL     1       2.186   1.755  -2.886  1.00  0.00           C  
HETATM   27  N   UNL     1       2.893   0.810  -2.010  1.00  0.00           N  
HETATM   28  C   UNL     1       4.231   0.668  -2.094  1.00  0.00           C  
HETATM   29  C   UNL     1       4.958  -0.212  -1.109  1.00  0.00           C  
HETATM   30  C   UNL     1       6.418  -0.361  -1.541  1.00  0.00           C  
HETATM   31  C   UNL     1       7.146  -1.283  -0.557  1.00  0.00           C  
HETATM   32  N   UNL     1       6.969  -0.756   0.803  1.00  0.00           N  
HETATM   33  C   UNL     1       8.058  -0.518   1.608  1.00  0.00           C  
HETATM   34  N   UNL     1       7.887   0.076   2.837  1.00  0.00           N  
HETATM   35  N   UNL     1       9.252  -0.854   1.207  1.00  0.00           N  
HETATM   36  C   UNL     1       5.608  -0.490   1.286  1.00  0.00           C  
HETATM   37  C   UNL     1       4.898   0.423   0.282  1.00  0.00           C  
HETATM   38  O   UNL     1       4.849   1.247  -2.962  1.00  0.00           O  
HETATM   39  C   UNL     1       2.116   0.023  -1.043  1.00  0.00           C  
HETATM   40  C   UNL     1       1.019  -0.732  -1.794  1.00  0.00           C  
HETATM   41  O   UNL     1      -1.588   1.204  -3.245  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.726  -0.942   0.630  1.00  0.00           O  
HETATM   43  O   UNL     1      -5.137   0.874  -0.411  1.00  0.00           O  
HETATM   44  C   UNL     1      -1.865   1.086   1.488  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.574  -0.376   1.706  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.062  -0.584   1.817  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.248  -0.843   2.998  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.087   2.046   2.109  1.00  0.00           C  
HETATM   49  C   UNL     1       0.945   4.277   2.154  1.00  0.00           C  
HETATM   50  H   UNL     1      -0.870   5.426   2.317  1.00  0.00           H  
HETATM   51  H   UNL     1       0.001   5.017   4.602  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.648   4.372   4.422  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.252   3.269   4.386  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.607   4.817   0.931  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.590   2.391  -1.077  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.229   4.475   1.059  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.331   3.941  -0.232  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.824   2.798   1.035  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.012   4.113  -1.909  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.689   4.709  -1.951  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.587   5.243  -0.660  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.717   0.074  -2.419  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.383  -0.546  -0.687  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.316  -1.989  -3.209  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.785  -2.310  -2.359  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.774  -3.371  -0.180  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.383  -6.039   2.454  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.941  -6.345   3.261  1.00  0.00           H  
HETATM   69  H   UNL     1       0.005  -5.318   2.522  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.404  -5.233   1.137  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.631  -4.092  -0.664  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.441  -2.596  -2.213  1.00  0.00           H  
HETATM   73  H   UNL     1       1.542   0.330  -4.374  1.00  0.00           H  
HETATM   74  H   UNL     1       0.432   1.706  -4.145  1.00  0.00           H  
HETATM   75  H   UNL     1       2.887   2.189  -3.598  1.00  0.00           H  
HETATM   76  H   UNL     1       1.736   2.545  -2.283  1.00  0.00           H  
HETATM   77  H   UNL     1       4.485  -1.193  -1.081  1.00  0.00           H  
HETATM   78  H   UNL     1       6.460  -0.792  -2.542  1.00  0.00           H  
HETATM   79  H   UNL     1       6.899   0.617  -1.546  1.00  0.00           H  
HETATM   80  H   UNL     1       6.725  -2.287  -0.618  1.00  0.00           H  
HETATM   81  H   UNL     1       8.207  -1.314  -0.802  1.00  0.00           H  
HETATM   82  H   UNL     1       6.994   0.252   3.170  1.00  0.00           H  
HETATM   83  H   UNL     1       8.661   0.317   3.370  1.00  0.00           H  
HETATM   84  H   UNL     1      10.020  -0.686   1.775  1.00  0.00           H  
HETATM   85  H   UNL     1       5.062  -1.429   1.376  1.00  0.00           H  
HETATM   86  H   UNL     1       5.655   0.002   2.258  1.00  0.00           H  
HETATM   87  H   UNL     1       5.392   1.394   0.260  1.00  0.00           H  
HETATM   88  H   UNL     1       3.857   0.551   0.579  1.00  0.00           H  
HETATM   89  H   UNL     1       2.771  -0.688  -0.539  1.00  0.00           H  
HETATM   90  H   UNL     1       1.662   0.689  -0.310  1.00  0.00           H  
HETATM   91  H   UNL     1       0.318  -1.166  -1.081  1.00  0.00           H  
HETATM   92  H   UNL     1       1.466  -1.522  -2.398  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.960  -0.953   0.866  1.00  0.00           H  
HETATM   94  H   UNL     1       0.333   0.039   2.619  1.00  0.00           H  
HETATM   95  H   UNL     1       0.145  -1.632   2.035  1.00  0.00           H  
HETATM   96  H   UNL     1       0.412  -0.309   0.875  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.863  -0.266   3.838  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.325  -0.694   2.919  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.038  -1.901   3.156  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.273   1.748   2.753  1.00  0.00           H  
HETATM  101  H   UNL     1       1.303   3.285   2.431  1.00  0.00           H  
HETATM  102  H   UNL     1       1.014   4.400   1.074  1.00  0.00           H  
HETATM  103  H   UNL     1       1.556   5.034   2.647  1.00  0.00           H  
CONECT    1    2    3   49   50                                       
CONECT    2    1   51   52   53                                       
CONECT    3    1    4    4   48                                       
CONECT    4    3    3    5   54                                       
CONECT    5    4    6    9    9                                       
CONECT    6    5    7    8   55                                       
CONECT    7    6   56   57   58                                       
CONECT    8    6   59   60   61                                       
CONECT    9    5    5   10   44                                       
CONECT   10    9   11   42   42                                       
CONECT   10   43   43                                                 
CONECT   11   10   12   62                                            
CONECT   12   11   13   23   63                                       
CONECT   13   12   14   64   65                                       
CONECT   14   13   15   15   22                                       
CONECT   15   14   14   16   66                                       
CONECT   16   15   17   20   20                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   67   68                                            
CONECT   19   17   17   69                                            
CONECT   20   16   16   21   70                                       
CONECT   21   20   22   22   71                                       
CONECT   22   14   21   21   72                                       
CONECT   23   12   24   41   41                                       
CONECT   24   23   25   40                                            
CONECT   25   24   26   73   74                                       
CONECT   26   25   27   75   76                                       
CONECT   27   26   28   39                                            
CONECT   28   27   29   38   38                                       
CONECT   29   28   30   37   77                                       
CONECT   30   29   31   78   79                                       
CONECT   31   30   32   80   81                                       
CONECT   32   31   33   36                                            
CONECT   33   32   34   35   35                                       
CONECT   34   33   82   83                                            
CONECT   35   33   33   84                                            
CONECT   36   32   37   85   86                                       
CONECT   37   29   36   87   88                                       
CONECT   38   28   28                                                 
CONECT   39   27   40   89   90                                       
CONECT   40   24   39   91   92                                       
CONECT   41   23   23                                                 
CONECT   42   10   10                                                 
CONECT   43   10   10                                                 
CONECT   44    9   45   48   48                                       
CONECT   45   44   46   47   93                                       
CONECT   46   45   94   95   96                                       
CONECT   47   45   97   98   99                                       
CONECT   48    3   44   44  100                                       
CONECT   49    1  101  102  103                                       
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    4                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   15                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
CONECT   98   47                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   49                                                      
CONECT  102   49                                                      
CONECT  103   49                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
