COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       4.897  -3.499   1.895  1.00  0.00           P  
HETATM    2  P   UNL     1       7.537  -2.154   1.799  1.00  0.00           P  
HETATM    3  P   UNL     1      12.872  -0.926  -1.571  1.00  0.00           P  
HETATM    4  O   UNL     1     -19.636   3.953   1.688  1.00  0.00           O  
HETATM    5  C   UNL     1     -18.748   3.624   0.618  1.00  0.00           C  
HETATM    6  C   UNL     1     -17.536   2.870   1.171  1.00  0.00           C  
HETATM    7  O   UNL     1     -16.624   2.588   0.108  1.00  0.00           O  
HETATM    8  C   UNL     1     -15.402   1.983   0.536  1.00  0.00           C  
HETATM    9  C   UNL     1     -14.507   1.728  -0.678  1.00  0.00           C  
HETATM   10  C   UNL     1     -13.198   1.081  -0.220  1.00  0.00           C  
HETATM   11  C   UNL     1     -12.304   0.825  -1.435  1.00  0.00           C  
HETATM   12  C   UNL     1     -11.015   0.188  -0.983  1.00  0.00           C  
HETATM   13  S   UNL     1      -9.811  -0.216  -2.132  1.00  0.00           S  
HETATM   14  C   UNL     1      -8.553  -0.918  -1.036  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.346  -1.362  -1.865  1.00  0.00           C  
HETATM   16  N   UNL     1      -6.328  -1.930  -0.978  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.169  -2.391  -1.489  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.122  -2.976  -0.577  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.914  -3.420  -1.405  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.896  -3.988  -0.518  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.738  -4.449  -1.030  1.00  0.00           C  
HETATM   22  C   UNL     1       0.356  -4.926  -0.109  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.160  -5.052   1.217  1.00  0.00           O  
HETATM   24  C   UNL     1       1.505  -3.917  -0.116  1.00  0.00           C  
HETATM   25  C   UNL     1       2.154  -3.892  -1.502  1.00  0.00           C  
HETATM   26  C   UNL     1       0.965  -2.526   0.219  1.00  0.00           C  
HETATM   27  C   UNL     1       2.548  -4.324   0.927  1.00  0.00           C  
HETATM   28  O   UNL     1       3.622  -3.381   0.921  1.00  0.00           O  
HETATM   29  O   UNL     1       4.423  -3.321   3.424  1.00  0.00           O  
HETATM   30  O   UNL     1       5.962  -2.349   1.526  1.00  0.00           O  
HETATM   31  O   UNL     1       8.248  -3.420   1.511  1.00  0.00           O  
HETATM   32  O   UNL     1       8.107  -0.989   0.845  1.00  0.00           O  
HETATM   33  C   UNL     1       9.493  -0.648   0.775  1.00  0.00           C  
HETATM   34  C   UNL     1       9.687   0.495  -0.223  1.00  0.00           C  
HETATM   35  O   UNL     1       9.128   1.719   0.300  1.00  0.00           O  
HETATM   36  C   UNL     1       9.776   2.779  -0.436  1.00  0.00           C  
HETATM   37  N   UNL     1       9.682   4.043   0.299  1.00  0.00           N  
HETATM   38  C   UNL     1       9.502   4.182   1.643  1.00  0.00           C  
HETATM   39  N   UNL     1       9.464   5.445   1.957  1.00  0.00           N  
HETATM   40  C   UNL     1       9.617   6.193   0.839  1.00  0.00           C  
HETATM   41  C   UNL     1       9.764   5.302  -0.238  1.00  0.00           C  
HETATM   42  N   UNL     1       9.937   5.792  -1.462  1.00  0.00           N  
HETATM   43  C   UNL     1       9.972   7.091  -1.666  1.00  0.00           C  
HETATM   44  N   UNL     1       9.842   7.967  -0.686  1.00  0.00           N  
HETATM   45  C   UNL     1       9.657   7.572   0.570  1.00  0.00           C  
HETATM   46  N   UNL     1       9.524   8.497   1.590  1.00  0.00           N  
HETATM   47  C   UNL     1      11.251   2.333  -0.553  1.00  0.00           C  
HETATM   48  O   UNL     1      11.785   2.700  -1.826  1.00  0.00           O  
HETATM   49  C   UNL     1      11.191   0.796  -0.409  1.00  0.00           C  
HETATM   50  O   UNL     1      11.686   0.163  -1.590  1.00  0.00           O  
HETATM   51  O   UNL     1      12.383  -2.237  -0.776  1.00  0.00           O  
HETATM   52  O   UNL     1      13.257  -1.326  -3.082  1.00  0.00           O  
HETATM   53  O   UNL     1      14.057  -0.352  -0.895  1.00  0.00           O  
HETATM   54  O   UNL     1       7.769  -1.748   3.340  1.00  0.00           O  
HETATM   55  O   UNL     1       5.527  -4.827   1.726  1.00  0.00           O  
HETATM   56  O   UNL     1      -0.575  -4.479  -2.231  1.00  0.00           O  
HETATM   57  O   UNL     1      -4.969  -2.335  -2.684  1.00  0.00           O  
HETATM   58  O   UNL     1     -10.830  -0.040   0.194  1.00  0.00           O  
HETATM   59  O   UNL     1     -17.970   1.644   1.765  1.00  0.00           O  
HETATM   60  C   UNL     1     -18.615   0.751   0.854  1.00  0.00           C  
HETATM   61  C   UNL     1     -19.008  -0.531   1.590  1.00  0.00           C  
HETATM   62  C   UNL     1     -19.870   1.420   0.288  1.00  0.00           C  
HETATM   63  C   UNL     1     -19.476   2.734  -0.395  1.00  0.00           C  
HETATM   64  O   UNL     1     -20.485   0.551  -0.665  1.00  0.00           O  
HETATM   65  H   UNL     1     -19.240   4.514   2.369  1.00  0.00           H  
HETATM   66  H   UNL     1     -18.415   4.538   0.127  1.00  0.00           H  
HETATM   67  H   UNL     1     -17.040   3.483   1.924  1.00  0.00           H  
HETATM   68  H   UNL     1     -14.891   2.650   1.230  1.00  0.00           H  
HETATM   69  H   UNL     1     -15.619   1.038   1.033  1.00  0.00           H  
HETATM   70  H   UNL     1     -15.018   1.061  -1.373  1.00  0.00           H  
HETATM   71  H   UNL     1     -14.290   2.673  -1.176  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.687   1.747   0.474  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.415   0.135   0.277  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.815   0.158  -2.129  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.087   1.770  -1.932  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.240  -0.165  -0.313  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.969  -1.777  -0.510  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.658  -2.115  -2.588  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.930  -0.502  -2.391  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.487  -1.975  -0.022  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.809  -2.223   0.147  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.537  -3.835  -0.051  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.227  -4.173  -2.129  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.499  -2.560  -1.931  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.056  -4.033   0.438  1.00  0.00           H  
HETATM   86  H   UNL     1       0.720  -5.895  -0.451  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.503  -4.227   1.586  1.00  0.00           H  
HETATM   88  H   UNL     1       1.433  -3.527  -2.234  1.00  0.00           H  
HETATM   89  H   UNL     1       3.020  -3.231  -1.486  1.00  0.00           H  
HETATM   90  H   UNL     1       2.469  -4.899  -1.774  1.00  0.00           H  
HETATM   91  H   UNL     1       0.503  -2.543   1.206  1.00  0.00           H  
HETATM   92  H   UNL     1       1.784  -1.806   0.214  1.00  0.00           H  
HETATM   93  H   UNL     1       0.222  -2.236  -0.525  1.00  0.00           H  
HETATM   94  H   UNL     1       2.086  -4.342   1.914  1.00  0.00           H  
HETATM   95  H   UNL     1       2.933  -5.315   0.688  1.00  0.00           H  
HETATM   96  H   UNL     1       4.001  -2.471   3.608  1.00  0.00           H  
HETATM   97  H   UNL     1       9.840  -0.335   1.760  1.00  0.00           H  
HETATM   98  H   UNL     1      10.064  -1.517   0.449  1.00  0.00           H  
HETATM   99  H   UNL     1       9.229   0.244  -1.179  1.00  0.00           H  
HETATM  100  H   UNL     1       9.331   2.881  -1.426  1.00  0.00           H  
HETATM  101  H   UNL     1       9.405   3.366   2.343  1.00  0.00           H  
HETATM  102  H   UNL     1      10.114   7.456  -2.673  1.00  0.00           H  
HETATM  103  H   UNL     1       9.400   8.196   2.504  1.00  0.00           H  
HETATM  104  H   UNL     1       9.553   9.446   1.392  1.00  0.00           H  
HETATM  105  H   UNL     1      11.846   2.769   0.250  1.00  0.00           H  
HETATM  106  H   UNL     1      11.791   3.652  -1.991  1.00  0.00           H  
HETATM  107  H   UNL     1      11.757   0.472   0.465  1.00  0.00           H  
HETATM  108  H   UNL     1      11.608  -2.667  -1.164  1.00  0.00           H  
HETATM  109  H   UNL     1      13.967  -1.980  -3.147  1.00  0.00           H  
HETATM  110  H   UNL     1       7.330  -0.926   3.600  1.00  0.00           H  
HETATM  111  H   UNL     1     -17.933   0.508   0.040  1.00  0.00           H  
HETATM  112  H   UNL     1     -19.500  -1.212   0.896  1.00  0.00           H  
HETATM  113  H   UNL     1     -18.114  -1.008   1.994  1.00  0.00           H  
HETATM  114  H   UNL     1     -19.689  -0.288   2.406  1.00  0.00           H  
HETATM  115  H   UNL     1     -20.569   1.627   1.098  1.00  0.00           H  
HETATM  116  H   UNL     1     -20.371   3.244  -0.752  1.00  0.00           H  
HETATM  117  H   UNL     1     -18.815   2.524  -1.236  1.00  0.00           H  
HETATM  118  H   UNL     1     -21.288   0.912  -1.065  1.00  0.00           H  
CONECT    1   30   55   55   28                                       
CONECT    1   29                                                      
CONECT    2   31   31   54   30                                       
CONECT    2   32                                                      
CONECT    3   50   53   53   51                                       
CONECT    3   52                                                      
CONECT    4    5   65                                                 
CONECT    5   63    6    4   66                                       
CONECT    6    7    5   59   67                                       
CONECT    7    8    6                                                 
CONECT    8    9    7   68   69                                       
CONECT    9   10    8   70   71                                       
CONECT   10   11    9   72   73                                       
CONECT   11   12   10   74   75                                       
CONECT   12   13   11   58   58                                       
CONECT   13   14   12                                                 
CONECT   14   13   15   76   77                                       
CONECT   15   14   16   78   79                                       
CONECT   16   17   15   80                                            
CONECT   17   18   57   57   16                                       
CONECT   18   19   17   81   82                                       
CONECT   19   20   18   83   84                                       
CONECT   20   21   19   85                                            
CONECT   21   56   56   22   20                                       
CONECT   22   24   21   23   86                                       
CONECT   23   22   87                                                 
CONECT   24   27   25   22   26                                       
CONECT   25   24   88   89   90                                       
CONECT   26   24   91   92   93                                       
CONECT   27   28   24   94   95                                       
CONECT   28    1   27                                                 
CONECT   29    1   96                                                 
CONECT   30    2    1                                                 
CONECT   31    2    2                                                 
CONECT   32    2   33                                                 
CONECT   33   34   32   97   98                                       
CONECT   34   35   49   33   99                                       
CONECT   35   34   36                                                 
CONECT   36   35   47   37  100                                       
CONECT   37   36   41   38                                            
CONECT   38   37   39   39  101                                       
CONECT   39   38   38   40                                            
CONECT   40   41   41   45   39                                       
CONECT   41   42   37   40   40                                       
CONECT   42   43   43   41                                            
CONECT   43   42   42   44  102                                       
CONECT   44   43   45   45                                            
CONECT   45   44   44   40   46                                       
CONECT   46   45  103  104                                            
CONECT   47   36   48   49  105                                       
CONECT   48   47  106                                                 
CONECT   49   34   50   47  107                                       
CONECT   50   49    3                                                 
CONECT   51    3  108                                                 
CONECT   52    3  109                                                 
CONECT   53    3    3                                                 
CONECT   54    2  110                                                 
CONECT   55    1    1                                                 
CONECT   56   21   21                                                 
CONECT   57   17   17                                                 
CONECT   58   12   12                                                 
CONECT   59    6   60                                                 
CONECT   60   62   59   61  111                                       
CONECT   61   60  112  113  114                                       
CONECT   62   64   63   60  115                                       
CONECT   63    5   62  116  117                                       
CONECT   64   62  118                                                 
CONECT   65    4                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   11                                                      
CONECT   76   14                                                      
CONECT   77   14                                                      
CONECT   78   15                                                      
CONECT   79   15                                                      
CONECT   80   16                                                      
CONECT   81   18                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   19                                                      
CONECT   85   20                                                      
CONECT   86   22                                                      
CONECT   87   23                                                      
CONECT   88   25                                                      
CONECT   89   25                                                      
CONECT   90   25                                                      
CONECT   91   26                                                      
CONECT   92   26                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   27                                                      
CONECT   96   29                                                      
CONECT   97   33                                                      
CONECT   98   33                                                      
CONECT   99   34                                                      
CONECT  100   36                                                      
CONECT  101   38                                                      
CONECT  102   43                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   48                                                      
CONECT  107   49                                                      
CONECT  108   51                                                      
CONECT  109   52                                                      
CONECT  110   54                                                      
CONECT  111   60                                                      
CONECT  112   61                                                      
CONECT  113   61                                                      
CONECT  114   61                                                      
CONECT  115   62                                                      
CONECT  116   63                                                      
CONECT  117   63                                                      
CONECT  118   64                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
