COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.871  -7.199   0.981  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.758  -6.280   0.550  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.813  -6.636   0.062  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.448  -4.840   0.672  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.358  -3.878   0.229  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.240  -4.417   1.238  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.998  -3.057   1.328  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.949  -2.168   0.861  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.082  -2.596   0.337  1.00  0.00           N1+
HETATM   10  C   UNL     1      -5.058  -1.615  -0.144  1.00  0.00           C  
HETATM   11  S   UNL     1      -4.319  -0.540  -1.441  1.00  0.00           S  
HETATM   12  C   UNL     1      -5.413  -0.605   0.967  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.615  -1.030   1.612  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.614   0.807   0.432  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.938   1.238   0.752  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.416   0.896  -1.095  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.730   2.208  -1.479  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.505   2.334  -0.754  1.00  0.00           O  
HETATM   19  P   UNL     1      -2.520   3.598  -0.910  1.00  0.00           P  
HETATM   20  O   UNL     1      -3.260   4.924  -0.375  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.164   3.773  -2.336  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.182   3.346  -0.050  1.00  0.00           O  
HETATM   23  P   UNL     1       0.273   4.035  -0.017  1.00  0.00           P  
HETATM   24  O   UNL     1       0.201   5.398   0.836  1.00  0.00           O  
HETATM   25  O   UNL     1       0.706   4.339  -1.399  1.00  0.00           O  
HETATM   26  O   UNL     1       1.327   3.028   0.667  1.00  0.00           O  
HETATM   27  C   UNL     1       2.726   3.306   0.751  1.00  0.00           C  
HETATM   28  C   UNL     1       3.435   2.148   1.456  1.00  0.00           C  
HETATM   29  O   UNL     1       3.365   0.965   0.643  1.00  0.00           O  
HETATM   30  C   UNL     1       4.926   2.485   1.647  1.00  0.00           C  
HETATM   31  O   UNL     1       5.265   2.485   3.035  1.00  0.00           O  
HETATM   32  C   UNL     1       5.671   1.347   0.908  1.00  0.00           C  
HETATM   33  O   UNL     1       6.812   0.916   1.652  1.00  0.00           O  
HETATM   34  C   UNL     1       4.592   0.234   0.855  1.00  0.00           C  
HETATM   35  N   UNL     1       4.848  -0.680  -0.261  1.00  0.00           N  
HETATM   36  C   UNL     1       4.297  -0.608  -1.505  1.00  0.00           C  
HETATM   37  N   UNL     1       4.746  -1.578  -2.247  1.00  0.00           N  
HETATM   38  C   UNL     1       5.610  -2.333  -1.528  1.00  0.00           C  
HETATM   39  C   UNL     1       5.691  -1.763  -0.246  1.00  0.00           C  
HETATM   40  N   UNL     1       6.487  -2.320   0.660  1.00  0.00           N  
HETATM   41  C   UNL     1       7.194  -3.391   0.365  1.00  0.00           C  
HETATM   42  N   UNL     1       7.154  -3.960  -0.826  1.00  0.00           N  
HETATM   43  C   UNL     1       6.381  -3.478  -1.794  1.00  0.00           C  
HETATM   44  N   UNL     1       6.347  -4.081  -3.039  1.00  0.00           N  
HETATM   45  H   UNL     1      -3.075  -8.144   0.901  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.028  -6.915   1.367  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.297  -4.189  -0.205  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.515  -5.134   1.595  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.077  -2.694   1.759  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.763  -1.107   0.931  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.953  -2.113  -0.517  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.608  -0.592   1.702  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.869  -0.486   2.370  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.902   1.473   0.919  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.120   1.278   1.701  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.368   0.789  -1.615  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.521   2.210  -2.548  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.384   3.045  -1.235  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.522   4.881   0.554  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.076   5.274   1.754  1.00  0.00           H  
HETATM   61  H   UNL     1       3.134   3.424  -0.253  1.00  0.00           H  
HETATM   62  H   UNL     1       2.881   4.225   1.316  1.00  0.00           H  
HETATM   63  H   UNL     1       2.968   1.961   2.423  1.00  0.00           H  
HETATM   64  H   UNL     1       5.161   3.449   1.196  1.00  0.00           H  
HETATM   65  H   UNL     1       6.193   2.691   3.214  1.00  0.00           H  
HETATM   66  H   UNL     1       5.958   1.658  -0.097  1.00  0.00           H  
HETATM   67  H   UNL     1       7.476   1.606   1.789  1.00  0.00           H  
HETATM   68  H   UNL     1       4.557  -0.310   1.799  1.00  0.00           H  
HETATM   69  H   UNL     1       3.593   0.144  -1.828  1.00  0.00           H  
HETATM   70  H   UNL     1       7.831  -3.819   1.124  1.00  0.00           H  
HETATM   71  H   UNL     1       5.786  -3.713  -3.740  1.00  0.00           H  
HETATM   72  H   UNL     1       6.883  -4.870  -3.211  1.00  0.00           H  
CONECT    1    2   45   46                                            
CONECT    2    4    1    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    6    6    5    2                                       
CONECT    5    9    9    4   47                                       
CONECT    6    7    4    4   48                                       
CONECT    7    8    8    6   49                                       
CONECT    8    7    7    9   50                                       
CONECT    9    8   10    5    5                                       
CONECT   10   12    9   11   51                                       
CONECT   11   10   16                                                 
CONECT   12   13   14   10   52                                       
CONECT   13   12   53                                                 
CONECT   14   15   12   16   54                                       
CONECT   15   14   55                                                 
CONECT   16   14   11   17   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   19                                                 
CONECT   19   18   21   21   22                                       
CONECT   19   20                                                      
CONECT   20   19   59                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23                                                 
CONECT   23   22   26   25   25                                       
CONECT   23   24                                                      
CONECT   24   23   60                                                 
CONECT   25   23   23                                                 
CONECT   26   27   23                                                 
CONECT   27   28   26   61   62                                       
CONECT   28   30   27   29   63                                       
CONECT   29   28   34                                                 
CONECT   30   31   28   32   64                                       
CONECT   31   30   65                                                 
CONECT   32   33   30   34   66                                       
CONECT   33   32   67                                                 
CONECT   34   32   29   35   68                                       
CONECT   35   34   36   39                                            
CONECT   36   35   37   37   69                                       
CONECT   37   36   36   38                                            
CONECT   38   39   37   43   43                                       
CONECT   39   35   40   40   38                                       
CONECT   40   39   39   41                                            
CONECT   41   40   42   42   70                                       
CONECT   42   41   41   43                                            
CONECT   43   38   38   42   44                                       
CONECT   44   43   71   72                                            
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   20                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   41                                                      
CONECT   71   44                                                      
CONECT   72   44                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
