COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.802   3.294   1.847  1.00  0.00           C  
HETATM    2  C   UNL     1       6.846   2.387   0.615  1.00  0.00           C  
HETATM    3  N   UNL     1       5.847   1.325   0.755  1.00  0.00           N  
HETATM    4  N   UNL     1       6.057   0.075   1.350  1.00  0.00           N  
HETATM    5  C   UNL     1       4.959  -0.622   1.305  1.00  0.00           C  
HETATM    6  C   UNL     1       3.962   0.152   0.667  1.00  0.00           C  
HETATM    7  C   UNL     1       2.611  -0.077   0.345  1.00  0.00           C  
HETATM    8  N   UNL     1       1.994  -1.274   0.662  1.00  0.00           N  
HETATM    9  C   UNL     1       2.084  -2.225  -0.455  1.00  0.00           C  
HETATM   10  C   UNL     1       0.926  -3.224  -0.372  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072  -4.257  -1.493  1.00  0.00           C  
HETATM   12  O   UNL     1       2.339  -4.909  -1.375  1.00  0.00           O  
HETATM   13  C   UNL     1       3.460  -4.031  -1.492  1.00  0.00           C  
HETATM   14  C   UNL     1       3.409  -2.989  -0.371  1.00  0.00           C  
HETATM   15  C   UNL     1       1.910   0.949  -0.308  1.00  0.00           C  
HETATM   16  C   UNL     1       2.574   2.143  -0.608  1.00  0.00           C  
HETATM   17  N   UNL     1       3.836   2.322  -0.292  1.00  0.00           N  
HETATM   18  C   UNL     1       4.548   1.386   0.331  1.00  0.00           C  
HETATM   19  C   UNL     1       0.491   0.770  -0.673  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.260  -0.258  -0.352  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.489  -0.067  -0.859  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.660  -1.005  -0.725  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.354  -0.758   0.590  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.394  -1.531   0.959  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.950  -2.653   0.180  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.488   1.111  -1.507  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.252   1.636  -1.385  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.655   1.733  -2.231  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.436   2.598  -1.275  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.472   2.055  -0.540  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.189   2.849   0.336  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.868   4.186   0.477  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.111   3.934  -1.130  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.831   4.729  -0.258  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.158  -1.401   2.208  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.228  -2.513   2.209  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.641  -3.560   1.228  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.977   0.138   1.316  1.00  0.00           O  
HETATM   39  H   UNL     1       7.019   2.706   2.739  1.00  0.00           H  
HETATM   40  H   UNL     1       7.545   4.085   1.743  1.00  0.00           H  
HETATM   41  H   UNL     1       5.810   3.737   1.936  1.00  0.00           H  
HETATM   42  H   UNL     1       6.629   2.975  -0.277  1.00  0.00           H  
HETATM   43  H   UNL     1       7.838   1.944   0.526  1.00  0.00           H  
HETATM   44  H   UNL     1       4.831  -1.623   1.689  1.00  0.00           H  
HETATM   45  H   UNL     1       2.382  -1.669   1.505  1.00  0.00           H  
HETATM   46  H   UNL     1       2.033  -1.684  -1.399  1.00  0.00           H  
HETATM   47  H   UNL     1       0.948  -3.728   0.594  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.020  -2.694  -0.485  1.00  0.00           H  
HETATM   49  H   UNL     1       0.275  -4.995  -1.413  1.00  0.00           H  
HETATM   50  H   UNL     1       1.010  -3.757  -2.459  1.00  0.00           H  
HETATM   51  H   UNL     1       4.382  -4.606  -1.411  1.00  0.00           H  
HETATM   52  H   UNL     1       3.429  -3.527  -2.458  1.00  0.00           H  
HETATM   53  H   UNL     1       4.239  -2.291  -0.484  1.00  0.00           H  
HETATM   54  H   UNL     1       3.481  -3.488   0.595  1.00  0.00           H  
HETATM   55  H   UNL     1       2.038   2.934  -1.110  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.360  -0.833  -1.543  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.306  -2.035  -0.761  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.678  -2.287  -0.545  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.151  -3.196  -0.326  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.287   2.343  -3.056  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.302   0.947  -2.620  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.723   1.010  -0.650  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.999   2.424   0.910  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.428   4.806   1.161  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.299   4.358  -1.702  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.581   5.774  -0.148  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.494  -1.525   3.064  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.637  -0.422   2.250  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.339  -2.940   3.205  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.183  -2.130   1.847  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.432  -4.154   0.770  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.916  -4.199   1.731  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3   42   43                                       
CONECT    3    2    4   18                                            
CONECT    4    3    5    5                                            
CONECT    5    4    4    6   44                                       
CONECT    6    5   18   18    7                                       
CONECT    7    6    8   15   15                                       
CONECT    8    7    9   45                                            
CONECT    9    8   14   10   46                                       
CONECT   10    9   11   47   48                                       
CONECT   11   10   12   49   50                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   51   52                                       
CONECT   14    9   13   53   54                                       
CONECT   15    7    7   16   19                                       
CONECT   16   15   17   17   55                                       
CONECT   17   16   16   18                                            
CONECT   18    3    6    6   17                                       
CONECT   19   15   20   20   27                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   26   26                                       
CONECT   22   21   23   56   57                                       
CONECT   23   22   38   38   24                                       
CONECT   24   23   25   35                                            
CONECT   25   24   37   58   59                                       
CONECT   26   21   21   27   28                                       
CONECT   27   19   26                                                 
CONECT   28   26   29   60   61                                       
CONECT   29   28   30   30   33                                       
CONECT   30   29   29   31   62                                       
CONECT   31   30   32   32   63                                       
CONECT   32   31   31   34   64                                       
CONECT   33   29   34   34   65                                       
CONECT   34   32   33   33   66                                       
CONECT   35   24   36   67   68                                       
CONECT   36   35   37   69   70                                       
CONECT   37   25   36   71   72                                       
CONECT   38   23   23                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
