COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.678   0.902   0.429  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.536  -0.302   0.396  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.496   1.806   0.190  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.249   0.959  -0.068  1.00  0.00           C  
HETATM    5  C   UNL     1       0.951   1.877  -0.310  1.00  0.00           C  
HETATM    6  N   UNL     1       2.145   1.065  -0.557  1.00  0.00           N  
HETATM    7  C   UNL     1       2.536   0.653  -1.768  1.00  0.00           C  
HETATM    8  N   UNL     1       3.665  -0.077  -1.722  1.00  0.00           N  
HETATM    9  C   UNL     1       4.062  -0.152  -0.306  1.00  0.00           C  
HETATM   10  C   UNL     1       2.989   0.647   0.407  1.00  0.00           C  
HETATM   11  O   UNL     1       1.938   0.909  -2.795  1.00  0.00           O  
HETATM   12  O   UNL     1       2.905   0.863   1.597  1.00  0.00           O  
HETATM   13  C   UNL     1       4.068  -1.582   0.169  1.00  0.00           C  
HETATM   14  C   UNL     1       4.047  -1.861   1.523  1.00  0.00           C  
HETATM   15  C   UNL     1       4.052  -3.173   1.958  1.00  0.00           C  
HETATM   16  C   UNL     1       4.078  -4.206   1.039  1.00  0.00           C  
HETATM   17  C   UNL     1       4.097  -3.927  -0.315  1.00  0.00           C  
HETATM   18  C   UNL     1       4.088  -2.615  -0.750  1.00  0.00           C  
HETATM   19  C   UNL     1       5.413   0.482  -0.100  1.00  0.00           C  
HETATM   20  C   UNL     1       6.222   0.756  -1.187  1.00  0.00           C  
HETATM   21  C   UNL     1       7.461   1.337  -0.998  1.00  0.00           C  
HETATM   22  C   UNL     1       7.893   1.645   0.279  1.00  0.00           C  
HETATM   23  C   UNL     1       7.084   1.373   1.366  1.00  0.00           C  
HETATM   24  C   UNL     1       5.843   0.795   1.177  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.893   1.431   0.674  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.126   0.669   0.917  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.431  -0.206  -0.272  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.693  -0.200  -1.234  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.264   1.691   1.121  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.718   2.964   0.421  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.204   2.870   0.748  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.523  -0.996  -0.265  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.937  -1.895  -1.352  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.497  -1.106   0.836  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.803  -1.595   0.163  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.252  -2.572  -0.911  1.00  0.00           C  
HETATM   37  H   UNL     1      -1.691   2.438  -0.676  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.335   2.433   1.068  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.054   0.327   0.799  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.410   0.333  -0.945  1.00  0.00           H  
HETATM   41  H   UNL     1       0.755   2.509  -1.176  1.00  0.00           H  
HETATM   42  H   UNL     1       1.112   2.503   0.568  1.00  0.00           H  
HETATM   43  H   UNL     1       4.128  -0.477  -2.476  1.00  0.00           H  
HETATM   44  H   UNL     1       4.027  -1.054   2.240  1.00  0.00           H  
HETATM   45  H   UNL     1       4.037  -3.391   3.015  1.00  0.00           H  
HETATM   46  H   UNL     1       4.082  -5.231   1.379  1.00  0.00           H  
HETATM   47  H   UNL     1       4.118  -4.734  -1.032  1.00  0.00           H  
HETATM   48  H   UNL     1       4.099  -2.397  -1.807  1.00  0.00           H  
HETATM   49  H   UNL     1       5.885   0.515  -2.184  1.00  0.00           H  
HETATM   50  H   UNL     1       8.093   1.550  -1.847  1.00  0.00           H  
HETATM   51  H   UNL     1       8.862   2.099   0.427  1.00  0.00           H  
HETATM   52  H   UNL     1       7.421   1.613   2.364  1.00  0.00           H  
HETATM   53  H   UNL     1       5.209   0.586   2.026  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.012   0.054   1.810  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.181   1.350   0.640  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.430   1.876   2.182  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.892   2.923  -0.654  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.154   3.865   0.852  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.006   3.250   1.750  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.622   3.423   0.010  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.103  -1.321  -2.264  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.169  -2.650  -1.521  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.155  -1.833   1.574  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.652  -0.134   1.304  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.438  -2.120   0.877  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.339  -0.766  -0.298  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.943  -2.656  -1.750  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.054  -3.550  -0.474  1.00  0.00           H  
CONECT    1    2    2    3   25                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   37   38                                       
CONECT    4    3    5   39   40                                       
CONECT    5    4    6   41   42                                       
CONECT    6    5    7   10                                            
CONECT    7    6    8   11   11                                       
CONECT    8    7    9   43                                            
CONECT    9    8   10   13   19                                       
CONECT   10    6    9   12   12                                       
CONECT   11    7    7                                                 
CONECT   12   10   10                                                 
CONECT   13    9   14   14   18                                       
CONECT   14   13   13   15   44                                       
CONECT   15   14   16   16   45                                       
CONECT   16   15   15   17   46                                       
CONECT   17   16   18   18   47                                       
CONECT   18   13   17   17   48                                       
CONECT   19    9   20   20   24                                       
CONECT   20   19   19   21   49                                       
CONECT   21   20   22   22   50                                       
CONECT   22   21   21   23   51                                       
CONECT   23   22   24   24   52                                       
CONECT   24   19   23   23   53                                       
CONECT   25   26   31    1                                            
CONECT   26   25   27   29   54                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27                                                 
CONECT   29   26   30   55   56                                       
CONECT   30   29   31   57   58                                       
CONECT   31   25   30   59   60                                       
CONECT   32   33   34   27                                            
CONECT   33   32   36   61   62                                       
CONECT   34   32   35   63   64                                       
CONECT   35   34   36   65   66                                       
CONECT   36   33   35   67   68                                       
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
