COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.088   5.435  -1.099  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.954   4.162  -0.261  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.624   3.477  -0.584  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.506   2.245   0.208  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.215   1.587  -0.032  1.00  0.00           C  
HETATM    6  C   UNL     1       0.899   2.465   0.477  1.00  0.00           C  
HETATM    7  C   UNL     1       4.562   1.953   0.468  1.00  0.00           C  
HETATM    8  C   UNL     1       5.479   2.686  -0.513  1.00  0.00           C  
HETATM    9  C   UNL     1       5.330   1.575   1.735  1.00  0.00           C  
HETATM   10  C   UNL     1       3.972   0.720  -0.182  1.00  0.00           C  
HETATM   11  C   UNL     1       3.865  -1.342  -1.211  1.00  0.00           C  
HETATM   12  C   UNL     1       2.485  -1.283  -1.275  1.00  0.00           C  
HETATM   13  C   UNL     1       0.176  -3.299  -0.112  1.00  0.00           C  
HETATM   14  C   UNL     1       0.725  -5.265   1.139  1.00  0.00           C  
HETATM   15  C   UNL     1       1.904  -5.388   0.428  1.00  0.00           C  
HETATM   16  C   UNL     1       2.216  -4.470  -0.558  1.00  0.00           C  
HETATM   17  C   UNL     1       1.831  -0.174  -0.768  1.00  0.00           C  
HETATM   18  C   UNL     1       2.594   0.856  -0.207  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.623   1.333  -0.075  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.944   2.035   0.243  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.640   0.042   1.639  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.185  -3.380   0.600  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.283  -2.121   1.468  1.00  0.00           C  
HETATM   24  O   UNL     1       0.643   3.534   0.989  1.00  0.00           O  
HETATM   25  N   UNL     1       2.180   2.062   0.363  1.00  0.00           N  
HETATM   26  C   UNL     1       3.346   2.826   0.819  1.00  0.00           C  
HETATM   27  N   UNL     1       4.557  -0.356  -0.677  1.00  0.00           N  
HETATM   28  C   UNL     1       1.702  -2.414  -1.889  1.00  0.00           C  
HETATM   29  C   UNL     1       1.355  -3.422  -0.823  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.139  -4.220   0.869  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.062   3.251  -0.573  1.00  0.00           N1+
HETATM   32  C   UNL     1      -2.492   0.097   0.777  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.322  -0.947   0.582  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.292  -0.947  -0.525  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.144  -2.264  -1.296  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.226  -3.358  -0.380  1.00  0.00           O  
HETATM   37  H   UNL     1      -4.036   5.923  -0.869  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.266   6.111  -0.867  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.060   5.178  -2.158  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.982   4.419   0.798  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.589   3.232  -1.645  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.800   4.148  -0.338  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.191   0.631   0.492  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.086   1.418  -1.101  1.00  0.00           H  
HETATM   45  H   UNL     1       5.827   3.614  -0.060  1.00  0.00           H  
HETATM   46  H   UNL     1       6.335   2.055  -0.751  1.00  0.00           H  
HETATM   47  H   UNL     1       4.929   2.912  -1.426  1.00  0.00           H  
HETATM   48  H   UNL     1       4.675   1.018   2.405  1.00  0.00           H  
HETATM   49  H   UNL     1       6.188   0.957   1.469  1.00  0.00           H  
HETATM   50  H   UNL     1       5.676   2.480   2.235  1.00  0.00           H  
HETATM   51  H   UNL     1       4.381  -2.205  -1.605  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.497  -2.480  -0.320  1.00  0.00           H  
HETATM   53  H   UNL     1       0.481  -5.982   1.909  1.00  0.00           H  
HETATM   54  H   UNL     1       2.581  -6.202   0.642  1.00  0.00           H  
HETATM   55  H   UNL     1       3.137  -4.567  -1.113  1.00  0.00           H  
HETATM   56  H   UNL     1       0.754  -0.104  -0.806  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.605   1.052  -1.129  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.775   1.366   0.020  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.968   2.304   1.299  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.217  -3.404   0.101  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.294  -4.265   1.227  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.193  -2.158   2.067  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.414  -2.058   2.123  1.00  0.00           H  
HETATM   64  H   UNL     1       3.294   2.987   1.895  1.00  0.00           H  
HETATM   65  H   UNL     1       3.401   3.780   0.295  1.00  0.00           H  
HETATM   66  H   UNL     1       0.785  -2.023  -2.331  1.00  0.00           H  
HETATM   67  H   UNL     1       2.302  -2.894  -2.662  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.060  -4.123   1.425  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.940   3.707  -0.372  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.303  -0.866  -0.126  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.090  -0.107  -1.189  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.944  -2.345  -2.033  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.179  -2.284  -1.802  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.029   3.003  -1.551  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    3    1   31   40                                       
CONECT    3    4    2   41   42                                       
CONECT    4    5    3   19                                            
CONECT    5    6    4   43   44                                       
CONECT    6   25   24   24    5                                       
CONECT    7    9    8   10   26                                       
CONECT    8    7   45   46   47                                       
CONECT    9    7   48   49   50                                       
CONECT   10   27    7   18   18                                       
CONECT   11   27   27   12   51                                       
CONECT   12   11   28   17   17                                       
CONECT   13   30   30   29   52                                       
CONECT   14   30   15   15   53                                       
CONECT   15   14   14   16   54                                       
CONECT   16   29   29   15   55                                       
CONECT   17   12   12   18   56                                       
CONECT   18   10   10   17   25                                       
CONECT   19    4   32   20   57                                       
CONECT   20   19   31   58   59                                       
CONECT   21   32   32                                                 
CONECT   22   36   23   60   61                                       
CONECT   23   22   33   62   63                                       
CONECT   24    6    6                                                 
CONECT   25   18   26    6                                            
CONECT   26    7   25   64   65                                       
CONECT   27   11   11   10                                            
CONECT   28   29   12   66   67                                       
CONECT   29   13   28   16   16                                       
CONECT   30   13   13   14   68                                       
CONECT   31    2   20   69   74                                       
CONECT   32   33   21   21   19                                       
CONECT   33   34   23   32                                            
CONECT   34   35   33   70   71                                       
CONECT   35   36   34   72   73                                       
CONECT   36   35   22                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   31                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
