COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.288  -1.884   0.008  1.00  0.00           O  
HETATM    2  C   UNL     1       4.381  -0.680  -0.585  1.00  0.00           C  
HETATM    3  C   UNL     1       4.955  -1.961   0.074  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.634  -3.575   0.606  1.00  0.00           O  
HETATM    5  C   UNL     1       1.482  -2.579   0.373  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.581   0.355  -1.606  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.609  -1.050  -1.863  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.726   2.033  -0.082  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.782   0.627  -0.329  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.455   0.119  -0.483  1.00  0.00           O  
HETATM   11  C   UNL     1       2.615  -2.178  -0.573  1.00  0.00           C  
HETATM   12  C   UNL     1       3.873  -3.014  -0.269  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.194  -1.039   0.196  1.00  0.00           O  
HETATM   14  C   UNL     1       6.170   2.237   0.661  1.00  0.00           C  
HETATM   15  O   UNL     1       6.213  -2.313  -0.506  1.00  0.00           O  
HETATM   16  C   UNL     1       4.304   1.217   1.079  1.00  0.00           C  
HETATM   17  O   UNL     1       4.260  -3.773  -1.416  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.903  -1.788   2.231  1.00  0.00           O  
HETATM   19  P   UNL     1      -1.107  -2.066   0.792  1.00  0.00           P  
HETATM   20  P   UNL     1      -3.577  -0.429   0.751  1.00  0.00           P  
HETATM   21  O   UNL     1      -3.261   0.782   1.764  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.332  -1.484   1.463  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.999   2.626   0.198  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.562   2.050   1.499  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.936   2.309  -0.948  1.00  0.00           C  
HETATM   26  O   UNL     1      -8.598   3.173  -1.470  1.00  0.00           O  
HETATM   27  C   UNL     1      -8.014   0.871  -1.418  1.00  0.00           C  
HETATM   28  O   UNL     1      -8.688   0.079  -0.438  1.00  0.00           O  
HETATM   29  O   UNL     1       2.959  -0.798  -0.367  1.00  0.00           O  
HETATM   30  N   UNL     1       4.907   0.518   0.073  1.00  0.00           N  
HETATM   31  N   UNL     1       5.050   2.225   1.424  1.00  0.00           N  
HETATM   32  C   UNL     1       6.092   1.143  -0.208  1.00  0.00           C  
HETATM   33  N   UNL     1       7.082   0.915  -1.079  1.00  0.00           N  
HETATM   34  C   UNL     1       8.134   1.702  -1.132  1.00  0.00           C  
HETATM   35  N   UNL     1       9.124   1.430  -2.041  1.00  0.00           N  
HETATM   36  N   UNL     1       8.269   2.781  -0.310  1.00  0.00           N  
HETATM   37  C   UNL     1       7.307   3.075   0.593  1.00  0.00           C  
HETATM   38  O   UNL     1       7.420   4.036   1.335  1.00  0.00           O  
HETATM   39  H   UNL     1       4.609  -0.662  -1.651  1.00  0.00           H  
HETATM   40  H   UNL     1       5.048  -1.835   1.153  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.790  -3.827  -0.315  1.00  0.00           H  
HETATM   42  H   UNL     1       1.755  -2.321   1.396  1.00  0.00           H  
HETATM   43  H   UNL     1       1.313  -3.654   0.302  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.116   0.871  -2.446  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.106  -1.295  -2.655  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.263   0.130   0.513  1.00  0.00           H  
HETATM   47  H   UNL     1       2.309  -2.333  -1.608  1.00  0.00           H  
HETATM   48  H   UNL     1       3.698  -3.671   0.583  1.00  0.00           H  
HETATM   49  H   UNL     1       6.612  -3.108  -0.127  1.00  0.00           H  
HETATM   50  H   UNL     1       3.350   0.970   1.521  1.00  0.00           H  
HETATM   51  H   UNL     1       5.047  -4.318  -1.280  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.767   1.511   1.364  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.887   3.707   0.293  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.875   2.264   2.318  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.530   2.505   1.709  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.681   0.972   1.397  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.551   0.822  -2.365  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.601   0.352  -0.270  1.00  0.00           H  
HETATM   59  H   UNL     1       9.042   0.665  -2.633  1.00  0.00           H  
HETATM   60  H   UNL     1       9.906   2.001  -2.092  1.00  0.00           H  
HETATM   61  H   UNL     1       9.058   3.341  -0.375  1.00  0.00           H  
CONECT    1    5   19                                                 
CONECT    2   29    3   30   39                                       
CONECT    3   12    2   15   40                                       
CONECT    4   19   41                                                 
CONECT    5   11    1   42   43                                       
CONECT    6    9   27    7   44                                       
CONECT    7    6   45                                                 
CONECT    8   23    9                                                 
CONECT    9    8   10    6   46                                       
CONECT   10   20    9                                                 
CONECT   11   12   29    5   47                                       
CONECT   12   17   11    3   48                                       
CONECT   13   20   19                                                 
CONECT   14   31   32   32   37                                       
CONECT   15    3   49                                                 
CONECT   16   30   31   31   50                                       
CONECT   17   12   51                                                 
CONECT   18   19   19                                                 
CONECT   19    1   13   18   18                                       
CONECT   19    4                                                      
CONECT   20   22   22   13   21                                       
CONECT   20   10                                                      
CONECT   21   20   52                                                 
CONECT   22   20   20                                                 
CONECT   23   24    8   25   53                                       
CONECT   24   23   54   55   56                                       
CONECT   25   23   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25    6   28   57                                       
CONECT   28   27   58                                                 
CONECT   29   11    2                                                 
CONECT   30    2   16   32                                            
CONECT   31   16   16   14                                            
CONECT   32   30   14   14   33                                       
CONECT   33   32   34   34                                            
CONECT   34   33   33   36   35                                       
CONECT   35   34   59   60                                            
CONECT   36   37   34   61                                            
CONECT   37   14   38   38   36                                       
CONECT   38   37   37                                                 
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   35                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
