COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.554   4.138   1.338  1.00  0.00           O  
HETATM    2  C   UNL     1       7.087  -0.281  -1.119  1.00  0.00           C  
HETATM    3  C   UNL     1       6.737  -1.287  -0.237  1.00  0.00           C  
HETATM    4  O   UNL     1       2.249   3.704  -1.049  1.00  0.00           O  
HETATM    5  C   UNL     1       7.204  -2.571  -0.430  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.208  -1.174   0.207  1.00  0.00           N  
HETATM    7  C   UNL     1       5.844  -0.981   0.938  1.00  0.00           C  
HETATM    8  C   UNL     1       4.577   0.801   1.701  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.588  -1.529   2.327  1.00  0.00           N  
HETATM   10  C   UNL     1       3.948   2.129   1.273  1.00  0.00           C  
HETATM   11  O   UNL     1       0.178   2.485   0.017  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.600   2.355  -1.261  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.858   3.665   1.190  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.267   1.090  -1.804  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.676  -0.570  -1.017  1.00  0.00           C  
HETATM   16  N   UNL     1      -8.420  -3.777   3.348  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.626   0.539  -1.535  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.147   4.289  -1.150  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.665   1.432  -2.357  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.268   2.049  -0.842  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.952  -0.769   1.484  1.00  0.00           C  
HETATM   22  N   UNL     1      -8.686  -4.262   1.055  1.00  0.00           N  
HETATM   23  P   UNL     1      -1.271   3.147  -0.217  1.00  0.00           P  
HETATM   24  O   UNL     1      -5.746   1.107  -3.746  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.648  -0.013  -2.368  1.00  0.00           O  
HETATM   26  C   UNL     1      -7.058  -2.248   0.280  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.642  -3.045  -0.610  1.00  0.00           N  
HETATM   28  C   UNL     1      -8.432  -4.022  -0.219  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.148  -3.518   2.016  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.297  -2.462   1.648  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.449   0.139  -0.743  1.00  0.00           O  
HETATM   32  P   UNL     1       1.645   3.080   0.307  1.00  0.00           P  
HETATM   33  O   UNL     1       2.609   1.901   0.831  1.00  0.00           O  
HETATM   34  O   UNL     1       4.835  -0.032   0.551  1.00  0.00           O  
HETATM   35  C   UNL     1       5.986   1.034   2.303  1.00  0.00           C  
HETATM   36  O   UNL     1       5.902   1.330   3.698  1.00  0.00           O  
HETATM   37  C   UNL     1       6.669  -0.336   2.069  1.00  0.00           C  
HETATM   38  O   UNL     1       6.605  -1.135   3.252  1.00  0.00           O  
HETATM   39  C   UNL     1       7.907  -0.554  -2.200  1.00  0.00           C  
HETATM   40  C   UNL     1       8.384  -1.832  -2.401  1.00  0.00           C  
HETATM   41  C   UNL     1       8.031  -2.853  -1.518  1.00  0.00           C  
HETATM   42  C   UNL     1       8.535  -4.227  -1.731  1.00  0.00           C  
HETATM   43  O   UNL     1       8.229  -5.113  -0.957  1.00  0.00           O  
HETATM   44  N   UNL     1       9.333  -4.496  -2.782  1.00  0.00           N  
HETATM   45  H   UNL     1       6.715   0.721  -0.966  1.00  0.00           H  
HETATM   46  H   UNL     1       2.337   3.066  -1.770  1.00  0.00           H  
HETATM   47  H   UNL     1       6.930  -3.356   0.260  1.00  0.00           H  
HETATM   48  H   UNL     1       5.376  -1.897   1.297  1.00  0.00           H  
HETATM   49  H   UNL     1       3.934   0.286   2.415  1.00  0.00           H  
HETATM   50  H   UNL     1       3.939   2.816   2.119  1.00  0.00           H  
HETATM   51  H   UNL     1       4.531   2.562   0.460  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.569   3.115  -2.042  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.170   2.731  -0.411  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.966   2.968   1.852  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.651   0.655  -2.591  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.518  -1.329  -1.783  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.009  -4.509   3.589  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.021  -3.227   4.040  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.062   1.097  -0.706  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.892   2.486  -2.196  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.317   0.061   1.755  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.605   1.302  -4.146  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.268   0.643  -2.717  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.891  -4.651  -0.968  1.00  0.00           H  
HETATM   65  H   UNL     1       6.511   1.827   1.770  1.00  0.00           H  
HETATM   66  H   UNL     1       6.758   1.483   4.120  1.00  0.00           H  
HETATM   67  H   UNL     1       7.703  -0.198   1.755  1.00  0.00           H  
HETATM   68  H   UNL     1       7.107  -0.776   3.996  1.00  0.00           H  
HETATM   69  H   UNL     1       8.173   0.235  -2.887  1.00  0.00           H  
HETATM   70  H   UNL     1       9.024  -2.044  -3.246  1.00  0.00           H  
HETATM   71  H   UNL     1       9.578  -3.789  -3.400  1.00  0.00           H  
HETATM   72  H   UNL     1       9.664  -5.398  -2.922  1.00  0.00           H  
CONECT    1   32   32                                                 
CONECT    2    3    3   39   45                                       
CONECT    3    5    7    2    2                                       
CONECT    4   32   46                                                 
CONECT    5   41   41    3   47                                       
CONECT    6   15   26   21                                            
CONECT    7   34    3   37   48                                       
CONECT    8   34   10   35   49                                       
CONECT    9   30   21   21                                            
CONECT   10   33    8   50   51                                       
CONECT   11   32   23                                                 
CONECT   12   14   20   52   53                                       
CONECT   13   23   54                                                 
CONECT   14   19   31   12   55                                       
CONECT   15   31   17    6   56                                       
CONECT   16   29   57   58                                            
CONECT   17   19   25   15   59                                       
CONECT   18   23   23                                                 
CONECT   19   24   14   17   60                                       
CONECT   20   12   23                                                 
CONECT   21    6    9    9   61                                       
CONECT   22   28   29   29                                            
CONECT   23   20   11   18   18                                       
CONECT   23   13                                                      
CONECT   24   19   62                                                 
CONECT   25   17   63                                                 
CONECT   26   27    6   30   30                                       
CONECT   27   28   28   26                                            
CONECT   28   27   27   22   64                                       
CONECT   29   22   22   30   16                                       
CONECT   30   26   26   29    9                                       
CONECT   31   14   15                                                 
CONECT   32    1    1    4   33                                       
CONECT   32   11                                                      
CONECT   33   32   10                                                 
CONECT   34    7    8                                                 
CONECT   35    8   37   36   65                                       
CONECT   36   35   66                                                 
CONECT   37    7   38   35   67                                       
CONECT   38   37   68                                                 
CONECT   39   40   40    2   69                                       
CONECT   40   41   39   39   70                                       
CONECT   41   42    5    5   40                                       
CONECT   42   43   43   44   41                                       
CONECT   43   42   42                                                 
CONECT   44   42   71   72                                            
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
CONECT   71   44                                                      
CONECT   72   44                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
