COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.107  -1.496  -2.622  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.141  -0.891  -1.636  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.711  -1.628  -0.549  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.825  -1.074   0.356  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.369   0.218   0.173  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.798   0.955  -0.915  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.681   0.399  -1.822  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.403   0.823   1.159  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.030   0.539   0.735  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.992   0.986   1.470  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.195   1.624   2.484  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.605   0.699   1.042  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.373  -0.034  -0.124  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.083  -0.306  -0.530  1.00  0.00           C  
HETATM   15  C   UNL     1       0.999   0.150   0.222  1.00  0.00           C  
HETATM   16  C   UNL     1       2.378  -0.142  -0.213  1.00  0.00           C  
HETATM   17  C   UNL     1       2.958  -1.477  -0.052  1.00  0.00           C  
HETATM   18  C   UNL     1       2.215  -2.518   0.522  1.00  0.00           C  
HETATM   19  C   UNL     1       2.776  -3.752   0.663  1.00  0.00           C  
HETATM   20  C   UNL     1       4.085  -3.985   0.237  1.00  0.00           C  
HETATM   21  O   UNL     1       4.630  -5.219   0.384  1.00  0.00           O  
HETATM   22  C   UNL     1       4.834  -2.968  -0.333  1.00  0.00           C  
HETATM   23  C   UNL     1       4.281  -1.704  -0.484  1.00  0.00           C  
HETATM   24  O   UNL     1       5.001  -0.708  -1.037  1.00  0.00           O  
HETATM   25  C   UNL     1       4.505   0.535  -1.204  1.00  0.00           C  
HETATM   26  C   UNL     1       5.292   1.515  -1.776  1.00  0.00           C  
HETATM   27  C   UNL     1       4.782   2.807  -1.951  1.00  0.00           C  
HETATM   28  O   UNL     1       5.481   3.674  -2.460  1.00  0.00           O  
HETATM   29  C   UNL     1       3.465   3.115  -1.545  1.00  0.00           C  
HETATM   30  C   UNL     1       2.684   2.161  -0.982  1.00  0.00           C  
HETATM   31  C   UNL     1       3.184   0.855  -0.805  1.00  0.00           C  
HETATM   32  C   UNL     1       0.771   0.892   1.400  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.532   1.167   1.800  1.00  0.00           C  
HETATM   34  C   UNL     1       1.912   1.378   2.203  1.00  0.00           C  
HETATM   35  O   UNL     1       1.691   2.086   3.328  1.00  0.00           O  
HETATM   36  O   UNL     1       3.049   1.140   1.849  1.00  0.00           O  
HETATM   37  H   UNL     1      -8.551  -2.003  -3.411  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.747  -2.214  -2.110  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.721  -0.709  -3.059  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.067  -2.638  -0.405  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.489  -1.649   1.206  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.442   1.965  -1.058  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.013   0.973  -2.674  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.555   1.902   1.201  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.575   0.394   2.146  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.868   0.030  -0.074  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.208  -0.390  -0.710  1.00  0.00           H  
HETATM   48  H   UNL     1       0.089  -0.874  -1.433  1.00  0.00           H  
HETATM   49  H   UNL     1       1.202  -2.342   0.854  1.00  0.00           H  
HETATM   50  H   UNL     1       2.205  -4.555   1.105  1.00  0.00           H  
HETATM   51  H   UNL     1       4.488  -5.804  -0.373  1.00  0.00           H  
HETATM   52  H   UNL     1       5.846  -3.158  -0.659  1.00  0.00           H  
HETATM   53  H   UNL     1       6.300   1.285  -2.089  1.00  0.00           H  
HETATM   54  H   UNL     1       3.079   4.114  -1.684  1.00  0.00           H  
HETATM   55  H   UNL     1       1.678   2.401  -0.672  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.713   1.735   2.701  1.00  0.00           H  
HETATM   57  H   UNL     1       2.469   2.383   3.819  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    3    1    7    7                                       
CONECT    3    4    4    2   40                                       
CONECT    4    3    3    5   41                                       
CONECT    5    4    8    6    6                                       
CONECT    6    5    5    7   42                                       
CONECT    7    2    2    6   43                                       
CONECT    8    5    9   44   45                                       
CONECT    9   10    8   46                                            
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   33   10   13   13                                       
CONECT   13   12   12   14   47                                       
CONECT   14   15   15   13   48                                       
CONECT   15   32   16   14   14                                       
CONECT   16   31   31   15   17                                       
CONECT   17   16   23   23   18                                       
CONECT   18   17   19   19   49                                       
CONECT   19   18   18   20   50                                       
CONECT   20   22   22   19   21                                       
CONECT   21   20   51                                                 
CONECT   22   23   20   20   52                                       
CONECT   23   24   17   17   22                                       
CONECT   24   25   23                                                 
CONECT   25   26   26   31   24                                       
CONECT   26   27   25   25   53                                       
CONECT   27   28   28   29   26                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   30   54                                       
CONECT   30   29   29   31   55                                       
CONECT   31   30   25   16   16                                       
CONECT   32   34   33   33   15                                       
CONECT   33   32   32   12   56                                       
CONECT   34   36   36   35   32                                       
CONECT   35   34   57                                                 
CONECT   36   34   34                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   26                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   33                                                      
CONECT   57   35                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
