COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.743   2.826  -7.614  1.00  0.00           C  
HETATM    2  O   UNL     1       1.835   1.480  -7.145  1.00  0.00           O  
HETATM    3  C   UNL     1       0.693   0.853  -7.525  1.00  0.00           C  
HETATM    4  C   UNL     1       0.633   0.207  -8.757  1.00  0.00           C  
HETATM    5  C   UNL     1       1.836   0.206  -9.665  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.509  -0.423  -9.145  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.895  -1.196 -10.381  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.272  -1.620 -10.185  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.700  -1.178  -8.990  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.811  -1.371  -8.536  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.635  -0.429  -8.312  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.577   0.220  -7.069  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.659   0.224  -6.250  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.408   0.854  -6.682  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.337   1.554  -5.350  1.00  0.00           C  
HETATM   16  C   UNL     1       0.143   0.571  -4.281  1.00  0.00           C  
HETATM   17  O   UNL     1       0.211   1.235  -3.018  1.00  0.00           O  
HETATM   18  P   UNL     1       0.721   0.147  -1.947  1.00  0.00           P  
HETATM   19  O   UNL     1       2.171  -0.397  -2.384  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.235  -0.981  -1.896  1.00  0.00           O  
HETATM   21  C   UNL     1       0.834   0.922  -0.300  1.00  0.00           C  
HETATM   22  P   UNL     1       1.411  -0.309   0.912  1.00  0.00           P  
HETATM   23  O   UNL     1       2.862  -0.854   0.474  1.00  0.00           O  
HETATM   24  O   UNL     1       0.455  -1.438   0.962  1.00  0.00           O  
HETATM   25  O   UNL     1       1.511   0.374   2.366  1.00  0.00           O  
HETATM   26  C   UNL     1       1.966  -0.636   3.268  1.00  0.00           C  
HETATM   27  C   UNL     1       2.084  -0.048   4.675  1.00  0.00           C  
HETATM   28  O   UNL     1       0.794   0.397   5.127  1.00  0.00           O  
HETATM   29  C   UNL     1       2.567  -1.133   5.657  1.00  0.00           C  
HETATM   30  O   UNL     1       3.804  -0.753   6.263  1.00  0.00           O  
HETATM   31  C   UNL     1       1.441  -1.205   6.722  1.00  0.00           C  
HETATM   32  O   UNL     1       1.989  -1.340   8.035  1.00  0.00           O  
HETATM   33  C   UNL     1       0.745   0.168   6.552  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.642   0.108   7.017  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.721  -0.294   6.287  1.00  0.00           C  
HETATM   36  N   UNL     1      -2.800  -0.223   7.011  1.00  0.00           N  
HETATM   37  C   UNL     1      -2.483   0.229   8.248  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.095   0.442   8.269  1.00  0.00           C  
HETATM   39  N   UNL     1      -0.527   0.898   9.381  1.00  0.00           N  
HETATM   40  C   UNL     1      -1.251   1.137  10.454  1.00  0.00           C  
HETATM   41  N   UNL     1      -2.558   0.947  10.484  1.00  0.00           N  
HETATM   42  C   UNL     1      -3.213   0.499   9.418  1.00  0.00           C  
HETATM   43  N   UNL     1      -4.582   0.302   9.460  1.00  0.00           N  
HETATM   44  H   UNL     1       2.644   3.372  -7.330  1.00  0.00           H  
HETATM   45  H   UNL     1       1.645   2.827  -8.699  1.00  0.00           H  
HETATM   46  H   UNL     1       0.872   3.307  -7.169  1.00  0.00           H  
HETATM   47  H   UNL     1       2.456  -0.662  -9.444  1.00  0.00           H  
HETATM   48  H   UNL     1       1.508   0.164 -10.703  1.00  0.00           H  
HETATM   49  H   UNL     1       2.414   1.115  -9.503  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.823  -0.556 -11.261  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.248  -2.065 -10.497  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.584  -0.557  -5.685  1.00  0.00           H  
HETATM   53  H   UNL     1       0.360   2.389  -5.415  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.326   1.927  -5.082  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.554  -0.264  -4.216  1.00  0.00           H  
HETATM   56  H   UNL     1       1.132   0.198  -4.549  1.00  0.00           H  
HETATM   57  H   UNL     1       2.763   0.367  -2.405  1.00  0.00           H  
HETATM   58  H   UNL     1       1.538   1.753  -0.338  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.147   1.291  -0.004  1.00  0.00           H  
HETATM   60  H   UNL     1       3.453  -0.089   0.454  1.00  0.00           H  
HETATM   61  H   UNL     1       1.255  -1.462   3.277  1.00  0.00           H  
HETATM   62  H   UNL     1       2.942  -0.999   2.943  1.00  0.00           H  
HETATM   63  H   UNL     1       2.784   0.786   4.671  1.00  0.00           H  
HETATM   64  H   UNL     1       2.671  -2.090   5.147  1.00  0.00           H  
HETATM   65  H   UNL     1       4.022  -1.439   6.908  1.00  0.00           H  
HETATM   66  H   UNL     1       0.750  -2.020   6.505  1.00  0.00           H  
HETATM   67  H   UNL     1       2.406  -2.212   8.075  1.00  0.00           H  
HETATM   68  H   UNL     1       1.293   0.945   7.085  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.685  -0.625   5.259  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.759   1.503  11.342  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.075   0.493  10.274  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.049  -0.025   8.676  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   14                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   47   48   49                                       
CONECT    6    4    7   11   11                                       
CONECT    7    6    8   50   51                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    6    6    9   12                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   52                                                 
CONECT   14    3   12   12   15                                       
CONECT   15   14   16   53   54                                       
CONECT   16   15   17   55   56                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   20   20                                       
CONECT   18   21                                                      
CONECT   19   18   57                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22   58   59                                       
CONECT   22   21   23   24   24                                       
CONECT   22   25                                                      
CONECT   23   22   60                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   61   62                                       
CONECT   27   26   28   29   63                                       
CONECT   28   27   33                                                 
CONECT   29   27   30   31   64                                       
CONECT   30   29   65                                                 
CONECT   31   29   32   33   66                                       
CONECT   32   31   67                                                 
CONECT   33   28   31   34   68                                       
CONECT   34   33   35   38                                            
CONECT   35   34   36   36   69                                       
CONECT   36   35   35   37                                            
CONECT   37   36   38   38   42                                       
CONECT   38   34   37   37   39                                       
CONECT   39   38   40   40                                            
CONECT   40   39   39   41   70                                       
CONECT   41   40   42   42                                            
CONECT   42   37   41   41   43                                       
CONECT   43   42   71   72                                            
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   40                                                      
CONECT   71   43                                                      
CONECT   72   43                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
