COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.321   3.911  -0.659  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.655   5.210  -1.008  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.963   6.260  -0.435  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.995   6.037   0.432  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.650   4.815   0.788  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.298   3.716   0.257  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.898   2.322   0.670  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.223   1.620  -0.502  1.00  0.00           C  
HETATM    9  N   UNL     1       0.032   0.199  -0.289  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.057  -0.397   0.927  1.00  0.00           C  
HETATM   11  O   UNL     1       0.134   0.151   1.987  1.00  0.00           O  
HETATM   12  C   UNL     1       0.989   2.385  -1.003  1.00  0.00           C  
HETATM   13  O   UNL     1       0.762   3.792  -0.806  1.00  0.00           O  
HETATM   14  C   UNL     1       2.319   2.009  -0.385  1.00  0.00           C  
HETATM   15  C   UNL     1       2.326   2.157   1.133  1.00  0.00           C  
HETATM   16  C   UNL     1       2.777   0.632  -0.780  1.00  0.00           C  
HETATM   17  O   UNL     1       2.173   0.010  -1.622  1.00  0.00           O  
HETATM   18  O   UNL     1       3.890   0.128  -0.243  1.00  0.00           O  
HETATM   19  C   UNL     1       4.148  -1.194  -0.226  1.00  0.00           C  
HETATM   20  C   UNL     1       5.406  -1.641  -0.266  1.00  0.00           C  
HETATM   21  C   UNL     1       5.677  -3.117  -0.407  1.00  0.00           C  
HETATM   22  C   UNL     1       6.554  -0.670  -0.171  1.00  0.00           C  
HETATM   23  C   UNL     1       7.022  -0.574   1.283  1.00  0.00           C  
HETATM   24  C   UNL     1       3.049  -2.175  -0.102  1.00  0.00           C  
HETATM   25  O   UNL     1       3.307  -3.362  -0.083  1.00  0.00           O  
HETATM   26  O   UNL     1       1.786  -1.738  -0.009  1.00  0.00           O  
HETATM   27  C   UNL     1       0.719  -2.664   0.307  1.00  0.00           C  
HETATM   28  C   UNL     1       0.217  -3.345  -0.967  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.428  -1.870   0.945  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.655  -2.068   0.175  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.855  -1.894   0.763  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.918  -1.485   1.906  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.095  -2.201   0.018  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.020  -2.751  -1.189  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.097  -3.039  -1.884  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.364  -2.778  -1.382  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.495  -2.206  -0.130  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.339  -1.915   0.591  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.417  -1.358   1.825  1.00  0.00           O  
HETATM   40  H   UNL     1      -2.847   3.070  -1.087  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.446   5.399  -1.719  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.217   7.275  -0.702  1.00  0.00           H  
HETATM   43  H   UNL     1       0.147   4.672   1.501  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.205   2.376   1.509  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.785   1.763   0.966  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.974   1.669  -1.341  1.00  0.00           H  
HETATM   47  H   UNL     1       0.255  -0.373  -1.072  1.00  0.00           H  
HETATM   48  H   UNL     1       1.060   2.230  -2.096  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.572  -2.190   1.973  1.00  0.00           H  
HETATM   50  H   UNL     1       1.492   4.353  -1.101  1.00  0.00           H  
HETATM   51  H   UNL     1       3.079   2.719  -0.779  1.00  0.00           H  
HETATM   52  H   UNL     1       1.563   1.509   1.565  1.00  0.00           H  
HETATM   53  H   UNL     1       3.305   1.873   1.521  1.00  0.00           H  
HETATM   54  H   UNL     1       2.116   3.193   1.398  1.00  0.00           H  
HETATM   55  H   UNL     1       5.159  -3.499  -1.287  1.00  0.00           H  
HETATM   56  H   UNL     1       6.749  -3.280  -0.517  1.00  0.00           H  
HETATM   57  H   UNL     1       5.319  -3.638   0.480  1.00  0.00           H  
HETATM   58  H   UNL     1       7.377  -1.018  -0.795  1.00  0.00           H  
HETATM   59  H   UNL     1       6.229   0.312  -0.514  1.00  0.00           H  
HETATM   60  H   UNL     1       6.199  -0.226   1.907  1.00  0.00           H  
HETATM   61  H   UNL     1       7.347  -1.556   1.625  1.00  0.00           H  
HETATM   62  H   UNL     1       7.852   0.129   1.352  1.00  0.00           H  
HETATM   63  H   UNL     1       1.073  -3.416   1.010  1.00  0.00           H  
HETATM   64  H   UNL     1       1.036  -3.892  -1.434  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.586  -4.039  -0.716  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.158  -2.591  -1.659  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.605  -2.324  -0.760  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.995  -3.486  -2.862  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.241  -3.020  -1.965  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.471  -1.994   0.282  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.500  -0.395   1.817  1.00  0.00           H  
CONECT    1    2    2    6   40                                       
CONECT    2    1    1    3   41                                       
CONECT    3    2    4    4   42                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6   43                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8   44   45                                       
CONECT    8    7    9   12   46                                       
CONECT    9    8   10   47                                            
CONECT   10    9   11   11   29                                       
CONECT   11   10   10                                                 
CONECT   12    8   13   14   48                                       
CONECT   13   12   50                                                 
CONECT   14   12   15   16   51                                       
CONECT   15   14   52   53   54                                       
CONECT   16   14   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   22                                       
CONECT   21   20   55   56   57                                       
CONECT   22   20   23   58   59                                       
CONECT   23   22   60   61   62                                       
CONECT   24   19   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27                                                 
CONECT   27   26   28   29   63                                       
CONECT   28   27   64   65   66                                       
CONECT   29   10   27   30   49                                       
CONECT   30   29   31   67                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   38   38                                       
CONECT   34   33   35   35                                            
CONECT   35   34   34   36   68                                       
CONECT   36   35   37   37   69                                       
CONECT   37   36   36   38   70                                       
CONECT   38   33   33   37   39                                       
CONECT   39   38   71                                                 
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   29                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   30                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   39                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
