COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.460   1.134  -0.655  1.00  0.00           C  
HETATM    2  C   UNL     1       9.789   2.471  -0.906  1.00  0.00           C  
HETATM    3  C   UNL     1      10.933   2.751  -1.690  1.00  0.00           C  
HETATM    4  C   UNL     1       7.999   2.469   0.315  1.00  0.00           C  
HETATM    5  C   UNL     1      11.286   0.431  -1.883  1.00  0.00           C  
HETATM    6  O   UNL     1     -11.729   4.373   1.323  1.00  0.00           O  
HETATM    7  C   UNL     1     -11.282   3.238   1.362  1.00  0.00           C  
HETATM    8  N   UNL     1     -11.792   2.329   2.207  1.00  0.00           N  
HETATM    9  C   UNL     1     -11.320   1.102   2.260  1.00  0.00           C  
HETATM   10  N   UNL     1     -11.882   0.218   3.142  1.00  0.00           N  
HETATM   11  N   UNL     1     -10.297   0.678   1.472  1.00  0.00           N  
HETATM   12  C   UNL     1      -9.708   1.533   0.576  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.179   2.837   0.483  1.00  0.00           C  
HETATM   14  N   UNL     1      -9.446   3.465  -0.466  1.00  0.00           N  
HETATM   15  C   UNL     1      -8.572   2.631  -0.952  1.00  0.00           C  
HETATM   16  N   UNL     1      -8.697   1.424  -0.328  1.00  0.00           N  
HETATM   17  C   UNL     1      -7.896   0.226  -0.592  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.627   0.588  -1.177  1.00  0.00           O  
HETATM   19  C   UNL     1      -8.584  -0.656  -1.658  1.00  0.00           C  
HETATM   20  O   UNL     1      -9.309  -1.719  -1.036  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.412  -1.218  -2.494  1.00  0.00           C  
HETATM   22  O   UNL     1      -7.378  -2.644  -2.414  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.155  -0.608  -1.835  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.114  -0.256  -2.899  1.00  0.00           C  
HETATM   25  S   UNL     1      -3.594   0.318  -2.091  1.00  0.00           S  
HETATM   26  P   UNL     1      -2.740  -1.476  -1.352  1.00  0.00           P  
HETATM   27  O   UNL     1      -2.471  -2.395  -2.480  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.763  -2.173  -0.322  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.360  -1.140  -0.593  1.00  0.00           O  
HETATM   30  P   UNL     1      -0.257  -2.032   0.169  1.00  0.00           P  
HETATM   31  S   UNL     1       0.563  -3.447  -1.180  1.00  0.00           S  
HETATM   32  O   UNL     1      -0.893  -2.740   1.302  1.00  0.00           O  
HETATM   33  O   UNL     1       0.915  -1.077   0.724  1.00  0.00           O  
HETATM   34  P   UNL     1       2.272  -1.337   1.549  1.00  0.00           P  
HETATM   35  O   UNL     1       3.154  -2.240   0.777  1.00  0.00           O  
HETATM   36  O   UNL     1       1.917  -2.016   2.966  1.00  0.00           O  
HETATM   37  S   UNL     1       3.263   0.508   1.879  1.00  0.00           S  
HETATM   38  C   UNL     1       4.742   0.017   2.807  1.00  0.00           C  
HETATM   39  C   UNL     1       5.746  -0.639   1.856  1.00  0.00           C  
HETATM   40  O   UNL     1       6.234   0.332   0.915  1.00  0.00           O  
HETATM   41  C   UNL     1       6.960  -1.157   2.652  1.00  0.00           C  
HETATM   42  O   UNL     1       7.099  -2.570   2.490  1.00  0.00           O  
HETATM   43  C   UNL     1       8.168  -0.419   2.024  1.00  0.00           C  
HETATM   44  O   UNL     1       9.285  -1.298   1.883  1.00  0.00           O  
HETATM   45  C   UNL     1       7.611  -0.005   0.638  1.00  0.00           C  
HETATM   46  N   UNL     1       8.332   1.160   0.119  1.00  0.00           N  
HETATM   47  N   UNL     1       8.858   3.238  -0.288  1.00  0.00           N1+
HETATM   48  C   UNL     1       8.823   4.702  -0.298  1.00  0.00           C  
HETATM   49  N   UNL     1      10.226   0.158  -1.156  1.00  0.00           N  
HETATM   50  N   UNL     1      12.041  -0.603  -2.376  1.00  0.00           N  
HETATM   51  N   UNL     1      11.658   1.713  -2.162  1.00  0.00           N  
HETATM   52  O   UNL     1      11.256   3.901  -1.935  1.00  0.00           O  
HETATM   53  H   UNL     1       7.149   2.815   0.885  1.00  0.00           H  
HETATM   54  H   UNL     1     -12.613   0.501   3.713  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.548  -0.691   3.196  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.981  -0.236   1.544  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.854   2.861  -1.725  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.743  -0.338   0.328  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.245  -0.056  -2.282  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.712  -2.339  -1.660  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.496  -0.896  -3.532  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.171  -3.076  -2.759  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.735  -1.301  -1.106  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.894  -1.139  -3.499  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.504   0.533  -3.542  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.984  -1.626   0.444  1.00  0.00           H  
HETATM   67  H   UNL     1       1.098  -2.673  -2.141  1.00  0.00           H  
HETATM   68  H   UNL     1       1.341  -1.478   3.526  1.00  0.00           H  
HETATM   69  H   UNL     1       5.195   0.897   3.262  1.00  0.00           H  
HETATM   70  H   UNL     1       4.464  -0.692   3.586  1.00  0.00           H  
HETATM   71  H   UNL     1       5.270  -1.463   1.325  1.00  0.00           H  
HETATM   72  H   UNL     1       6.861  -0.902   3.707  1.00  0.00           H  
HETATM   73  H   UNL     1       7.848  -2.949   2.970  1.00  0.00           H  
HETATM   74  H   UNL     1       8.437   0.458   2.614  1.00  0.00           H  
HETATM   75  H   UNL     1       9.613  -1.655   2.720  1.00  0.00           H  
HETATM   76  H   UNL     1       7.669  -0.837  -0.063  1.00  0.00           H  
HETATM   77  H   UNL     1       9.393   5.085   0.549  1.00  0.00           H  
HETATM   78  H   UNL     1       9.261   5.069  -1.227  1.00  0.00           H  
HETATM   79  H   UNL     1       7.790   5.042  -0.225  1.00  0.00           H  
HETATM   80  H   UNL     1      12.826  -0.417  -2.914  1.00  0.00           H  
HETATM   81  H   UNL     1      11.789  -1.521  -2.187  1.00  0.00           H  
HETATM   82  H   UNL     1      12.446   1.880  -2.702  1.00  0.00           H  
CONECT    1   46   49    2    2                                       
CONECT    2   47    1    1    3                                       
CONECT    3    2   51   52   52                                       
CONECT    4   46   47   47   53                                       
CONECT    5   49   49   50   51                                       
CONECT    6    7    7                                                 
CONECT    7    6    6   13    8                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   11   10                                       
CONECT   10    9   54   55                                            
CONECT   11   12    9   56                                            
CONECT   12   13   13   16   11                                       
CONECT   13   14    7   12   12                                       
CONECT   14   15   15   13                                            
CONECT   15   14   14   16   57                                       
CONECT   16   15   12   17                                            
CONECT   17   19   16   18   58                                       
CONECT   18   17   23                                                 
CONECT   19   20   21   17   59                                       
CONECT   20   19   60                                                 
CONECT   21   19   22   23   61                                       
CONECT   22   21   62                                                 
CONECT   23   21   24   18   63                                       
CONECT   24   25   23   64   65                                       
CONECT   25   26   24                                                 
CONECT   26   29   27   27   28                                       
CONECT   26   25                                                      
CONECT   27   26   26                                                 
CONECT   28   26   66                                                 
CONECT   29   30   26                                                 
CONECT   30   31   33   29   32                                       
CONECT   30   32                                                      
CONECT   31   30   67                                                 
CONECT   32   30   30                                                 
CONECT   33   34   30                                                 
CONECT   34   35   35   37   36                                       
CONECT   34   33                                                      
CONECT   35   34   34                                                 
CONECT   36   34   68                                                 
CONECT   37   34   38                                                 
CONECT   38   37   39   69   70                                       
CONECT   39   38   40   41   71                                       
CONECT   40   39   45                                                 
CONECT   41   39   42   43   72                                       
CONECT   42   41   73                                                 
CONECT   43   41   45   44   74                                       
CONECT   44   43   75                                                 
CONECT   45   40   43   46   76                                       
CONECT   46   45    4    1                                            
CONECT   47    4    4   48    2                                       
CONECT   48   47   77   78   79                                       
CONECT   49    1    5    5                                            
CONECT   50    5   80   81                                            
CONECT   51    5    3   82                                            
CONECT   52    3    3                                                 
CONECT   53    4                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   28                                                      
CONECT   67   31                                                      
CONECT   68   36                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   41                                                      
CONECT   73   42                                                      
CONECT   74   43                                                      
CONECT   75   44                                                      
CONECT   76   45                                                      
CONECT   77   48                                                      
CONECT   78   48                                                      
CONECT   79   48                                                      
CONECT   80   50                                                      
CONECT   81   50                                                      
CONECT   82   51                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
