COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.583   3.926   1.179  1.00  0.00           C  
HETATM    2  C   UNL     1       2.761   5.134   0.439  1.00  0.00           C  
HETATM    3  N   UNL     1       5.839   3.884   1.764  1.00  0.00           N  
HETATM    4  N   UNL     1       3.957   5.084   0.995  1.00  0.00           N  
HETATM    5  N   UNL     1       2.129   4.054   0.027  1.00  0.00           N  
HETATM    6  C   UNL     1       3.297   0.731   0.255  1.00  0.00           C  
HETATM    7  C   UNL     1       3.946   2.746   0.761  1.00  0.00           C  
HETATM    8  C   UNL     1       2.676   2.853   0.169  1.00  0.00           C  
HETATM    9  N   UNL     1       4.271   1.430   0.785  1.00  0.00           N  
HETATM   10  N   UNL     1       2.289   1.569  -0.141  1.00  0.00           N  
HETATM   11  S   UNL     1       3.286  -1.022   0.077  1.00  0.00           S  
HETATM   12  C   UNL     1       7.266  -1.609   0.127  1.00  0.00           C  
HETATM   13  C   UNL     1       5.981  -1.318  -0.290  1.00  0.00           C  
HETATM   14  C   UNL     1       4.924  -1.393   0.609  1.00  0.00           C  
HETATM   15  C   UNL     1       5.160  -1.760   1.928  1.00  0.00           C  
HETATM   16  I   UNL     1       5.625  -0.764  -2.279  1.00  0.00           I  
HETATM   17  C   UNL     1       6.447  -2.051   2.345  1.00  0.00           C  
HETATM   18  C   UNL     1       7.505  -1.975   1.441  1.00  0.00           C  
HETATM   19  O   UNL     1       8.660  -2.306   2.092  1.00  0.00           O  
HETATM   20  O   UNL     1       6.939  -2.430   3.561  1.00  0.00           O  
HETATM   21  C   UNL     1       8.243  -2.980   3.295  1.00  0.00           C  
HETATM   22  C   UNL     1       1.031   1.173  -0.777  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.023   0.908   0.300  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.338   0.493  -0.364  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.707  -0.186   0.049  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.761  -0.451   1.125  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.392   0.228   0.713  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.020  -2.110   2.924  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.105  -2.180   1.546  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.016  -1.836   0.767  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.841  -1.423   1.367  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.755  -1.353   2.745  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.845  -1.697   3.523  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.761   3.463   0.315  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.681   2.448   0.123  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.265   1.130   0.123  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.930   0.826   0.314  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.011   1.840   0.506  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.426   3.159   0.501  1.00  0.00           C  
HETATM   40  P   UNL     1      -6.367  -0.957   0.314  1.00  0.00           P  
HETATM   41  C   UNL     1      -6.697  -1.060  -4.308  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.391  -1.981  -3.545  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.293  -1.950  -2.166  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.501  -0.999  -1.551  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.807  -0.079  -2.314  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.901  -0.113  -3.693  1.00  0.00           C  
HETATM   47  H   UNL     1       2.288   6.095   0.308  1.00  0.00           H  
HETATM   48  H   UNL     1       6.271   4.705   2.045  1.00  0.00           H  
HETATM   49  H   UNL     1       6.285   3.032   1.893  1.00  0.00           H  
HETATM   50  H   UNL     1       8.086  -1.555  -0.575  1.00  0.00           H  
HETATM   51  H   UNL     1       4.339  -1.818   2.627  1.00  0.00           H  
HETATM   52  H   UNL     1       8.178  -4.055   3.129  1.00  0.00           H  
HETATM   53  H   UNL     1       0.687   1.972  -1.433  1.00  0.00           H  
HETATM   54  H   UNL     1       1.189   0.266  -1.361  1.00  0.00           H  
HETATM   55  H   UNL     1       0.320   0.108   0.956  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.181   1.814   0.884  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.682   1.293  -1.020  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.180  -0.413  -0.949  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.549  -1.092  -0.536  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.050   0.614  -0.607  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.417  -1.251   1.781  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.919   0.455   1.710  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.048  -0.572   1.368  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.550   1.135   1.297  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.872  -2.375   3.532  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.024  -2.502   1.078  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.083  -1.890  -0.309  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.837  -1.030   3.213  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.779  -1.638   4.600  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.086   4.493   0.315  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.723   2.685  -0.027  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.983   0.337  -0.027  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.968   1.603   0.656  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.708   3.952   0.651  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.774  -1.084  -5.385  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.010  -2.724  -4.026  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.835  -2.669  -1.570  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.188   0.665  -1.833  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.359   0.606  -4.289  1.00  0.00           H  
HETATM   80  H   UNL     1       8.927  -2.759   4.114  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.925  -2.359   0.313  1.00  0.00           H  
CONECT    1    7    7    3    4                                       
CONECT    2    4    4    5   47                                       
CONECT    3    1   48   49                                            
CONECT    4    1    2    2                                            
CONECT    5    8    8    2                                            
CONECT    6   11    9    9   10                                       
CONECT    7    9    1    1    8                                       
CONECT    8   10    7    5    5                                       
CONECT    9    6    6    7                                            
CONECT   10    6   22    8                                            
CONECT   11   14    6                                                 
CONECT   12   18   18   13   50                                       
CONECT   13   12   16   14   14                                       
CONECT   14   13   13   15   11                                       
CONECT   15   17   17   14   51                                       
CONECT   16   13                                                      
CONECT   17   18   20   15   15                                       
CONECT   18   19   12   12   17                                       
CONECT   19   21   18                                                 
CONECT   20   21   17                                                 
CONECT   21   19   20   52   80                                       
CONECT   22   10   23   53   54                                       
CONECT   23   22   24   55   56                                       
CONECT   24   27   23   57   58                                       
CONECT   25   27   26   59   60                                       
CONECT   26   25   40   61   62                                       
CONECT   27   24   25   63   64                                       
CONECT   28   29   29   33   65                                       
CONECT   29   30   28   28   66                                       
CONECT   30   31   31   29   67                                       
CONECT   31   40   30   30   32                                       
CONECT   32   31   33   33   68                                       
CONECT   33   32   32   28   69                                       
CONECT   34   35   35   39   70                                       
CONECT   35   36   34   34   71                                       
CONECT   36   37   37   35   72                                       
CONECT   37   40   36   36   38                                       
CONECT   38   37   39   39   73                                       
CONECT   39   38   38   34   74                                       
CONECT   40   44   26   31   37                                       
CONECT   40   81                                                      
CONECT   41   46   46   42   75                                       
CONECT   42   41   43   43   76                                       
CONECT   43   42   42   44   77                                       
CONECT   44   45   45   43   40                                       
CONECT   45   46   44   44   78                                       
CONECT   46   41   41   45   79                                       
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   45                                                      
CONECT   79   46                                                      
CONECT   80   21                                                      
CONECT   81   40                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
