COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.162  -1.665   0.148  1.00  0.00           O  
HETATM    2  C   UNL     1       2.595  -0.530   0.087  1.00  0.00           C  
HETATM    3  N   UNL     1       3.872  -0.208  -0.189  1.00  0.00           N  
HETATM    4  C   UNL     1       4.959  -1.152  -0.462  1.00  0.00           C  
HETATM    5  C   UNL     1       5.533  -1.665   0.860  1.00  0.00           C  
HETATM    6  C   UNL     1       6.724  -2.583   0.576  1.00  0.00           C  
HETATM    7  C   UNL     1       7.801  -1.802  -0.179  1.00  0.00           C  
HETATM    8  C   UNL     1       7.299  -3.096   1.898  1.00  0.00           C  
HETATM    9  C   UNL     1       6.263  -3.769  -0.274  1.00  0.00           C  
HETATM   10  C   UNL     1       3.985   1.255  -0.169  1.00  0.00           C  
HETATM   11  C   UNL     1       4.431   1.768  -1.539  1.00  0.00           C  
HETATM   12  C   UNL     1       5.755   1.107  -1.925  1.00  0.00           C  
HETATM   13  C   UNL     1       3.367   1.427  -2.583  1.00  0.00           C  
HETATM   14  C   UNL     1       4.618   3.286  -1.479  1.00  0.00           C  
HETATM   15  C   UNL     1       2.603   1.774   0.157  1.00  0.00           C  
HETATM   16  O   UNL     1       2.236   3.062   0.279  1.00  0.00           O  
HETATM   17  C   UNL     1       1.801   0.683   0.297  1.00  0.00           C  
HETATM   18  C   UNL     1       0.362   0.716   0.617  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.172   1.888   0.777  1.00  0.00           N  
HETATM   20  P   UNL     1      -1.779   2.015   1.118  1.00  0.00           P  
HETATM   21  O   UNL     1      -1.966   2.387   2.538  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.458   3.121   0.166  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.846   3.455   0.228  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.157   4.537  -0.809  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.516   0.383   0.802  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.876   0.210   0.735  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.395  -1.057   0.488  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.779  -1.247   0.418  1.00  0.00           N  
HETATM   29  S   UNL     1      -6.427  -2.186  -0.782  1.00  0.00           S  
HETATM   30  C   UNL     1      -5.940  -1.355  -2.320  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.754  -3.431  -0.654  1.00  0.00           O  
HETATM   32  O   UNL     1      -7.831  -2.088  -0.585  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.534  -2.133   0.310  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.167  -1.954   0.380  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.645  -0.691   0.629  1.00  0.00           C  
HETATM   36  N   UNL     1      -0.271  -0.486   0.710  1.00  0.00           N  
HETATM   37  H   UNL     1       4.574  -1.992  -1.041  1.00  0.00           H  
HETATM   38  H   UNL     1       5.743  -0.650  -1.029  1.00  0.00           H  
HETATM   39  H   UNL     1       5.862  -0.820   1.465  1.00  0.00           H  
HETATM   40  H   UNL     1       4.766  -2.221   1.398  1.00  0.00           H  
HETATM   41  H   UNL     1       8.130  -0.957   0.426  1.00  0.00           H  
HETATM   42  H   UNL     1       8.650  -2.456  -0.381  1.00  0.00           H  
HETATM   43  H   UNL     1       7.392  -1.437  -1.121  1.00  0.00           H  
HETATM   44  H   UNL     1       6.531  -3.652   2.436  1.00  0.00           H  
HETATM   45  H   UNL     1       8.147  -3.750   1.696  1.00  0.00           H  
HETATM   46  H   UNL     1       7.627  -2.251   2.504  1.00  0.00           H  
HETATM   47  H   UNL     1       5.854  -3.403  -1.216  1.00  0.00           H  
HETATM   48  H   UNL     1       7.112  -4.423  -0.476  1.00  0.00           H  
HETATM   49  H   UNL     1       5.496  -4.325   0.264  1.00  0.00           H  
HETATM   50  H   UNL     1       4.694   1.566   0.598  1.00  0.00           H  
HETATM   51  H   UNL     1       5.556   0.167  -2.441  1.00  0.00           H  
HETATM   52  H   UNL     1       6.315   1.771  -2.583  1.00  0.00           H  
HETATM   53  H   UNL     1       6.339   0.910  -1.025  1.00  0.00           H  
HETATM   54  H   UNL     1       2.423   1.898  -2.308  1.00  0.00           H  
HETATM   55  H   UNL     1       3.685   1.793  -3.559  1.00  0.00           H  
HETATM   56  H   UNL     1       3.234   0.346  -2.626  1.00  0.00           H  
HETATM   57  H   UNL     1       5.376   3.529  -0.734  1.00  0.00           H  
HETATM   58  H   UNL     1       4.936   3.652  -2.455  1.00  0.00           H  
HETATM   59  H   UNL     1       3.675   3.757  -1.204  1.00  0.00           H  
HETATM   60  H   UNL     1       1.309   3.236   0.492  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.443   2.567   0.016  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.087   3.826   1.224  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.216   4.791  -0.762  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.560   5.424  -0.598  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.916   4.166  -1.805  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.538   1.052   0.873  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.360  -0.828   1.073  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.856  -1.390  -2.424  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.404  -1.859  -3.168  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.269  -0.316  -2.291  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.938  -3.116   0.117  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.504  -2.795   0.242  1.00  0.00           H  
HETATM   73  H   UNL     1       0.286  -1.268   0.852  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   17    1    1    3                                       
CONECT    3    2   10    4                                            
CONECT    4    3    5   37   38                                       
CONECT    5    4    6   39   40                                       
CONECT    6    5    8    7    9                                       
CONECT    7    6   41   42   43                                       
CONECT    8    6   44   45   46                                       
CONECT    9    6   47   48   49                                       
CONECT   10   15   11    3   50                                       
CONECT   11   12   10   14   13                                       
CONECT   12   11   51   52   53                                       
CONECT   13   11   54   55   56                                       
CONECT   14   11   57   58   59                                       
CONECT   15   16   17   17   10                                       
CONECT   16   15   60                                                 
CONECT   17   18   15   15    2                                       
CONECT   18   19   19   36   17                                       
CONECT   19   20   18   18                                            
CONECT   20   22   21   21   25                                       
CONECT   20   19                                                      
CONECT   21   20   20                                                 
CONECT   22   23   20                                                 
CONECT   23   24   22   61   62                                       
CONECT   24   23   63   64   65                                       
CONECT   25   26   20   35   35                                       
CONECT   26   27   27   25   66                                       
CONECT   27   28   26   26   33                                       
CONECT   28   29   27   67                                            
CONECT   29   32   32   30   31                                       
CONECT   29   31   28                                                 
CONECT   30   29   68   69   70                                       
CONECT   31   29   29                                                 
CONECT   32   29   29                                                 
CONECT   33   27   34   34   71                                       
CONECT   34   33   33   35   72                                       
CONECT   35   25   25   34   36                                       
CONECT   36   35   18   73                                            
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   36                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
