COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.881   5.954   1.409  1.00  0.00           C  
HETATM    2  C   UNL     1       4.322   4.573   1.064  1.00  0.00           C  
HETATM    3  C   UNL     1       5.306   3.838   0.151  1.00  0.00           C  
HETATM    4  N   UNL     1       4.771   2.515  -0.180  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.773   1.784   0.262  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.814   2.890  -0.567  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.031   3.419  -0.954  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.207   2.847  -0.506  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.166   1.745   0.326  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.949   1.213   0.710  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.446   1.205   0.680  1.00  0.00           C  
HETATM   12  O   UNL     1       5.796  -0.799  -1.192  1.00  0.00           O  
HETATM   13  C   UNL     1       4.786  -0.694  -0.184  1.00  0.00           C  
HETATM   14  C   UNL     1       3.633  -1.663  -0.243  1.00  0.00           C  
HETATM   15  O   UNL     1       3.842  -2.845  -0.420  1.00  0.00           O  
HETATM   16  C   UNL     1       4.921   0.324  -1.318  1.00  0.00           C  
HETATM   17  C   UNL     1       5.472   1.685  -0.978  1.00  0.00           C  
HETATM   18  O   UNL     1       6.545   2.033  -1.421  1.00  0.00           O  
HETATM   19  N   UNL     1       2.370  -1.217  -0.098  1.00  0.00           N  
HETATM   20  C   UNL     1       1.249  -2.158  -0.155  1.00  0.00           C  
HETATM   21  C   UNL     1       0.000  -1.429  -0.580  1.00  0.00           C  
HETATM   22  O   UNL     1       0.043  -0.239  -0.812  1.00  0.00           O  
HETATM   23  C   UNL     1       1.032  -2.777   1.227  1.00  0.00           C  
HETATM   24  C   UNL     1       0.719  -1.672   2.238  1.00  0.00           C  
HETATM   25  C   UNL     1       2.300  -3.518   1.659  1.00  0.00           C  
HETATM   26  C   UNL     1       0.380  -2.299   3.591  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.163  -2.098  -0.701  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.451  -1.512  -1.099  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.877  -0.462  -0.106  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.036   0.194  -0.277  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.175  -0.210   0.845  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.486  -2.657  -1.129  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.602  -3.922  -1.287  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.356  -3.538  -0.451  1.00  0.00           C  
HETATM   35  H   UNL     1       5.024   6.528   0.494  1.00  0.00           H  
HETATM   36  H   UNL     1       4.180   6.478   2.059  1.00  0.00           H  
HETATM   37  H   UNL     1       5.836   5.842   1.921  1.00  0.00           H  
HETATM   38  H   UNL     1       4.178   3.999   1.979  1.00  0.00           H  
HETATM   39  H   UNL     1       3.366   4.685   0.552  1.00  0.00           H  
HETATM   40  H   UNL     1       5.450   4.412  -0.765  1.00  0.00           H  
HETATM   41  H   UNL     1       6.262   3.726   0.663  1.00  0.00           H  
HETATM   42  H   UNL     1       3.912   2.237   0.175  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.895   3.337  -0.917  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.062   4.280  -1.605  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.157   3.262  -0.807  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.085   1.298   0.676  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.917   0.352   1.361  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.543   0.753   1.668  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.698   1.997   0.715  1.00  0.00           H  
HETATM   50  H   UNL     1       5.095  -0.387   0.814  1.00  0.00           H  
HETATM   51  H   UNL     1       4.176   0.301  -2.113  1.00  0.00           H  
HETATM   52  H   UNL     1       2.202  -0.272   0.043  1.00  0.00           H  
HETATM   53  H   UNL     1       1.472  -2.946  -0.875  1.00  0.00           H  
HETATM   54  H   UNL     1       0.198  -3.478   1.185  1.00  0.00           H  
HETATM   55  H   UNL     1       1.587  -1.022   2.346  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.131  -1.088   1.885  1.00  0.00           H  
HETATM   57  H   UNL     1       3.133  -2.818   1.701  1.00  0.00           H  
HETATM   58  H   UNL     1       2.145  -3.959   2.643  1.00  0.00           H  
HETATM   59  H   UNL     1       2.523  -4.306   0.939  1.00  0.00           H  
HETATM   60  H   UNL     1       1.230  -2.884   3.944  1.00  0.00           H  
HETATM   61  H   UNL     1       0.157  -1.512   4.311  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.488  -2.950   3.483  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.360  -1.068  -2.091  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.160  -2.548  -1.979  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.045  -2.691  -0.194  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.337  -4.085  -2.331  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.097  -4.799  -0.870  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.486  -4.101  -0.786  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.540  -3.717   0.609  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    1    3   38   39                                       
CONECT    3    2    4   40   41                                       
CONECT    4    3   17   42                                            
CONECT    5    6   10   10   11                                       
CONECT    6    5    7    7   43                                       
CONECT    7    6    6    8   44                                       
CONECT    8    7    9    9   45                                       
CONECT    9    8    8   10   46                                       
CONECT   10    5    5    9   47                                       
CONECT   11    5   30   48   49                                       
CONECT   12   13   16                                                 
CONECT   13   12   14   16   50                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14                                                 
CONECT   16   12   13   17   51                                       
CONECT   17    4   16   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   14   20   52                                            
CONECT   20   19   21   23   53                                       
CONECT   21   20   22   22   27                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   25   54                                       
CONECT   24   23   26   55   56                                       
CONECT   25   23   57   58   59                                       
CONECT   26   24   60   61   62                                       
CONECT   27   21   28   34                                            
CONECT   28   27   29   32   63                                       
CONECT   29   28   30   31   31                                       
CONECT   30   11   29                                                 
CONECT   31   29   29                                                 
CONECT   32   28   33   64   65                                       
CONECT   33   32   34   66   67                                       
CONECT   34   27   33   68   69                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   16                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
