COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.441  -2.038  -0.005  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.928  -3.335  -0.015  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.561  -3.503  -0.133  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.783  -2.435  -0.231  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.299  -1.215  -0.218  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.603  -1.013  -0.108  1.00  0.00           N  
HETATM    7  O   UNL     1      -5.775  -1.827   0.102  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.219  -0.544   0.108  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.453  -0.124  -0.323  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.008  -0.327  -0.447  1.00  0.00           C  
HETATM   11  C   UNL     1       0.620   0.880  -1.148  1.00  0.00           C  
HETATM   12  C   UNL     1       2.137   0.690  -1.219  1.00  0.00           C  
HETATM   13  N   UNL     1       2.679   0.554   0.139  1.00  0.00           N  
HETATM   14  C   UNL     1       2.126  -0.626   0.815  1.00  0.00           C  
HETATM   15  C   UNL     1       0.609  -0.476   0.947  1.00  0.00           C  
HETATM   16  C   UNL     1       4.075   0.511   0.118  1.00  0.00           C  
HETATM   17  C   UNL     1       4.785   0.384   1.306  1.00  0.00           C  
HETATM   18  C   UNL     1       6.165   0.341   1.282  1.00  0.00           C  
HETATM   19  C   UNL     1       6.840   0.424   0.078  1.00  0.00           C  
HETATM   20  C   UNL     1       6.137   0.550  -1.106  1.00  0.00           C  
HETATM   21  C   UNL     1       4.757   0.589  -1.090  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.548   0.080  -1.090  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.998   1.381  -1.089  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.126   2.074   0.117  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.795   1.442   1.319  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.350   0.139   1.311  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.999  -0.545   2.606  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.410  -0.668  -2.391  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.593   3.428   0.123  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.964   4.501   0.127  1.00  0.00           N  
HETATM   31  S   UNL     1       8.601   0.369   0.053  1.00  0.00           S  
HETATM   32  N   UNL     1       9.041  -1.221  -0.092  1.00  0.00           N  
HETATM   33  O   UNL     1       9.005   1.008  -1.151  1.00  0.00           O  
HETATM   34  O   UNL     1       9.035   0.790   1.339  1.00  0.00           O  
HETATM   35  H   UNL     1      -4.585  -4.188   0.067  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.132  -4.494  -0.144  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.818   0.775  -0.315  1.00  0.00           H  
HETATM   38  H   UNL     1       0.185  -1.228  -1.029  1.00  0.00           H  
HETATM   39  H   UNL     1       0.216   0.966  -2.157  1.00  0.00           H  
HETATM   40  H   UNL     1       0.393   1.786  -0.586  1.00  0.00           H  
HETATM   41  H   UNL     1       2.364  -0.208  -1.793  1.00  0.00           H  
HETATM   42  H   UNL     1       2.589   1.555  -1.706  1.00  0.00           H  
HETATM   43  H   UNL     1       2.353  -1.519   0.232  1.00  0.00           H  
HETATM   44  H   UNL     1       2.569  -0.718   1.806  1.00  0.00           H  
HETATM   45  H   UNL     1       0.381   0.409   1.542  1.00  0.00           H  
HETATM   46  H   UNL     1       0.197  -1.359   1.435  1.00  0.00           H  
HETATM   47  H   UNL     1       4.258   0.319   2.246  1.00  0.00           H  
HETATM   48  H   UNL     1       6.718   0.242   2.205  1.00  0.00           H  
HETATM   49  H   UNL     1       6.668   0.615  -2.044  1.00  0.00           H  
HETATM   50  H   UNL     1       4.208   0.683  -2.015  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.252   1.866  -2.021  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.891   1.974   2.254  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.946  -0.375   2.834  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.614  -0.140   3.410  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.182  -1.616   2.513  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.344  -1.184  -2.614  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.182   0.035  -3.192  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.603  -1.397  -2.307  1.00  0.00           H  
HETATM   59  H   UNL     1       8.359  -1.909  -0.144  1.00  0.00           H  
HETATM   60  H   UNL     1       9.979  -1.464  -0.124  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   35                                       
CONECT    3    2    4    4   36                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6    9                                       
CONECT    6    1    5    5                                            
CONECT    7    1    8                                                 
CONECT    8    7   22   22   26                                       
CONECT    9    5   10   37                                            
CONECT   10    9   11   15   38                                       
CONECT   11   10   12   39   40                                       
CONECT   12   11   13   41   42                                       
CONECT   13   12   14   16                                            
CONECT   14   13   15   43   44                                       
CONECT   15   10   14   45   46                                       
CONECT   16   13   17   17   21                                       
CONECT   17   16   16   18   47                                       
CONECT   18   17   19   19   48                                       
CONECT   19   18   18   20   31                                       
CONECT   20   19   21   21   49                                       
CONECT   21   16   20   20   50                                       
CONECT   22    8    8   23   28                                       
CONECT   23   22   24   24   51                                       
CONECT   24   23   23   25   29                                       
CONECT   25   24   26   26   52                                       
CONECT   26    8   25   25   27                                       
CONECT   27   26   53   54   55                                       
CONECT   28   22   56   57   58                                       
CONECT   29   24   30   30   30                                       
CONECT   30   29   29   29                                            
CONECT   31   19   32   33   33                                       
CONECT   31   34   34                                                 
CONECT   32   31   59   60                                            
CONECT   33   31   31                                                 
CONECT   34   31   31                                                 
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
