COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.601   1.190   0.205  1.00  0.00           C  
HETATM    2  C   UNL     1       3.489   1.506  -0.554  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.226   1.222   0.326  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.851   1.536  -0.440  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.133   1.276   0.308  1.00  0.00           C  
HETATM    6  C   UNL     1      17.518  -0.991  -1.310  1.00  0.00           C  
HETATM    7  C   UNL     1      16.148  -1.505  -0.951  1.00  0.00           C  
HETATM    8  C   UNL     1      15.377  -1.102   0.087  1.00  0.00           C  
HETATM    9  C   UNL     1      14.208  -1.890  -0.029  1.00  0.00           C  
HETATM   10  C   UNL     1      13.003  -1.855   0.874  1.00  0.00           C  
HETATM   11  S   UNL     1      11.810  -0.643   0.243  1.00  0.00           S  
HETATM   12  C   UNL     1      10.452  -0.745   1.442  1.00  0.00           C  
HETATM   13  C   UNL     1       9.363   0.220   1.051  1.00  0.00           C  
HETATM   14  C   UNL     1       8.306  -0.035   0.242  1.00  0.00           C  
HETATM   15  C   UNL     1       6.328   1.477  -0.548  1.00  0.00           C  
HETATM   16  S   UNL     1       4.902   1.105   0.510  1.00  0.00           S  
HETATM   17  C   UNL     1       2.207   1.246   0.195  1.00  0.00           C  
HETATM   18  O   UNL     1       2.243   0.832   1.334  1.00  0.00           O  
HETATM   19  N   UNL     1       1.020   1.475  -0.402  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.418   1.560  -0.571  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.664   1.308   0.156  1.00  0.00           N  
HETATM   22  O   UNL     1      -3.888   1.951  -1.579  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.325   1.614  -0.589  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.571   1.361   0.139  1.00  0.00           N  
HETATM   25  C   UNL     1      -8.758   1.590  -0.458  1.00  0.00           C  
HETATM   26  O   UNL     1      -8.796   2.092  -1.561  1.00  0.00           O  
HETATM   27  C   UNL     1     -10.039   1.222   0.247  1.00  0.00           C  
HETATM   28  O   UNL     1      -9.759   0.911   1.613  1.00  0.00           O  
HETATM   29  C   UNL     1     -10.664   0.003  -0.435  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.100   0.380  -1.853  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.636  -1.128  -0.502  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.882  -0.461   0.366  1.00  0.00           C  
HETATM   33  O   UNL     1     -12.466  -1.599  -0.271  1.00  0.00           O  
HETATM   34  P   UNL     1     -13.769  -2.352   0.302  1.00  0.00           P  
HETATM   35  O   UNL     1     -15.034  -1.358   0.238  1.00  0.00           O  
HETATM   36  O   UNL     1     -14.068  -3.659  -0.589  1.00  0.00           O  
HETATM   37  O   UNL     1     -13.529  -2.755   1.705  1.00  0.00           O  
HETATM   38  N   UNL     1       8.266   2.020   0.956  1.00  0.00           N  
HETATM   39  O   UNL     1       9.247   1.499   1.434  1.00  0.00           O  
HETATM   40  N   UNL     1      14.380  -2.651  -1.072  1.00  0.00           N  
HETATM   41  O   UNL     1      15.449  -2.448  -1.600  1.00  0.00           O  
HETATM   42  H   UNL     1       3.536   2.557  -0.840  1.00  0.00           H  
HETATM   43  H   UNL     1       3.519   0.884  -1.449  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.273   0.171   0.612  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.257   1.844   1.221  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.180   0.225   0.595  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.164   1.898   1.203  1.00  0.00           H  
HETATM   48  H   UNL     1      18.275  -1.587  -0.801  1.00  0.00           H  
HETATM   49  H   UNL     1      17.663  -1.064  -2.388  1.00  0.00           H  
HETATM   50  H   UNL     1      17.607   0.051  -1.002  1.00  0.00           H  
HETATM   51  H   UNL     1      15.602  -0.353   0.831  1.00  0.00           H  
HETATM   52  H   UNL     1      12.539  -2.842   0.900  1.00  0.00           H  
HETATM   53  H   UNL     1      13.311  -1.572   1.880  1.00  0.00           H  
HETATM   54  H   UNL     1      10.053  -1.759   1.454  1.00  0.00           H  
HETATM   55  H   UNL     1      10.824  -0.489   2.434  1.00  0.00           H  
HETATM   56  H   UNL     1       8.059  -0.959  -0.259  1.00  0.00           H  
HETATM   57  H   UNL     1       6.304   2.528  -0.835  1.00  0.00           H  
HETATM   58  H   UNL     1       6.287   0.855  -1.443  1.00  0.00           H  
HETATM   59  H   UNL     1       0.991   1.806  -1.313  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.371   2.611  -0.858  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.388   0.938  -1.466  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.635   0.976   1.067  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.278   2.665  -0.875  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.295   0.992  -1.484  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.542   1.030   1.050  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.733   2.061   0.200  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.146   0.173   1.731  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.773   1.237  -1.810  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.223   0.636  -2.447  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.615  -0.464  -2.311  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.081  -1.996  -0.988  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.768  -0.797  -1.073  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.325  -1.396   0.508  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.571  -0.729   1.376  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.614   0.345   0.414  1.00  0.00           H  
HETATM   76  H   UNL     1     -15.250  -1.053  -0.654  1.00  0.00           H  
HETATM   77  H   UNL     1     -14.841  -4.163  -0.301  1.00  0.00           H  
CONECT    1   15   14   38   38                                       
CONECT    2   16   17   42   43                                       
CONECT    3   19   20   44   45                                       
CONECT    4   22   22    5   21                                       
CONECT    5    4   23   46   47                                       
CONECT    6    7   48   49   50                                       
CONECT    7   41    8    8    6                                       
CONECT    8    9    7    7   51                                       
CONECT    9   40   40   10    8                                       
CONECT   10    9   11   52   53                                       
CONECT   11   12   10                                                 
CONECT   12   13   11   54   55                                       
CONECT   13   14   14   39   12                                       
CONECT   14    1   13   13   56                                       
CONECT   15   16    1   57   58                                       
CONECT   16    2   15                                                 
CONECT   17    2   19   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   17    3   59                                            
CONECT   20   21    3   60   61                                       
CONECT   21    4   20   62                                            
CONECT   22    4    4                                                 
CONECT   23   24    5   63   64                                       
CONECT   24   25   23   65                                            
CONECT   25   26   26   27   24                                       
CONECT   26   25   25                                                 
CONECT   27   29   25   28   66                                       
CONECT   28   27   67                                                 
CONECT   29   30   32   31   27                                       
CONECT   30   29   68   69   70                                       
CONECT   31   29   71   72   73                                       
CONECT   32   33   29   74   75                                       
CONECT   33   34   32                                                 
CONECT   34   37   37   33   36                                       
CONECT   34   35                                                      
CONECT   35   34   76                                                 
CONECT   36   34   77                                                 
CONECT   37   34   34                                                 
CONECT   38    1    1   39                                            
CONECT   39   38   13                                                 
CONECT   40   41    9    9                                            
CONECT   41   40    7                                                 
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
