COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.003  -2.096  -0.063  1.00  0.00           N  
HETATM    2  C   UNL     1       1.800  -2.710   1.113  1.00  0.00           C  
HETATM    3  O   UNL     1       0.802  -3.389   1.260  1.00  0.00           O  
HETATM    4  N   UNL     1       2.668  -2.598   2.134  1.00  0.00           N  
HETATM    5  C   UNL     1       3.784  -1.852   2.001  1.00  0.00           C  
HETATM    6  O   UNL     1       4.574  -1.747   2.921  1.00  0.00           O  
HETATM    7  C   UNL     1       4.028  -1.169   0.720  1.00  0.00           C  
HETATM    8  C   UNL     1       3.106  -1.323  -0.281  1.00  0.00           C  
HETATM    9  P   UNL     1      -4.666  -1.438   0.080  1.00  0.00           P  
HETATM   10  P   UNL     1      -6.152   1.066   0.637  1.00  0.00           P  
HETATM   11  P   UNL     1      -7.703   3.405  -0.314  1.00  0.00           P  
HETATM   12  C   UNL     1       1.022  -2.263  -1.138  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.769  -2.408  -0.580  1.00  0.00           O  
HETATM   14  O   UNL     1      -7.375   0.307   0.980  1.00  0.00           O  
HETATM   15  O   UNL     1      -9.091   2.730  -0.773  1.00  0.00           O  
HETATM   16  C   UNL     1       0.985  -3.736  -1.590  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.550  -1.734   1.525  1.00  0.00           O  
HETATM   18  O   UNL     1      -5.475   1.631   1.984  1.00  0.00           O  
HETATM   19  O   UNL     1      -7.849   3.951   1.054  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.484  -4.167  -1.361  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.951  -4.978  -2.440  1.00  0.00           O  
HETATM   22  C   UNL     1       5.196  -0.365   0.526  1.00  0.00           C  
HETATM   23  C   UNL     1       6.155   0.294   0.367  1.00  0.00           C  
HETATM   24  C   UNL     1       7.323   1.099   0.172  1.00  0.00           C  
HETATM   25  C   UNL     1       8.279   1.306   1.079  1.00  0.00           C  
HETATM   26  C   UNL     1       9.335   2.210   0.485  1.00  0.00           C  
HETATM   27  N   UNL     1       9.115   2.166  -0.979  1.00  0.00           N  
HETATM   28  C   UNL     1       7.675   1.843  -1.095  1.00  0.00           C  
HETATM   29  C   UNL     1       9.162   3.639   1.004  1.00  0.00           C  
HETATM   30  C   UNL     1      10.732   1.688   0.828  1.00  0.00           C  
HETATM   31  C   UNL     1       7.426   0.956  -2.317  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.113   0.096  -0.120  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.536   2.296  -0.327  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.324   4.596  -1.329  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.222  -2.804  -1.334  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.291  -1.928  -0.658  1.00  0.00           O  
HETATM   37  C   UNL     1       6.854   3.131  -1.198  1.00  0.00           C  
HETATM   38  O   UNL     1       9.417   3.459  -1.594  1.00  0.00           O  
HETATM   39  C   UNL     1      -2.528  -2.914  -0.545  1.00  0.00           C  
HETATM   40  O   UNL     1      -3.243  -1.680  -0.633  1.00  0.00           O  
HETATM   41  H   UNL     1       2.490  -3.056   2.970  1.00  0.00           H  
HETATM   42  H   UNL     1       3.251  -0.837  -1.234  1.00  0.00           H  
HETATM   43  H   UNL     1       1.283  -1.623  -1.981  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.898  -2.270  -1.528  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.068   2.351  -1.662  1.00  0.00           H  
HETATM   46  H   UNL     1       1.247  -3.818  -2.645  1.00  0.00           H  
HETATM   47  H   UNL     1       1.661  -4.338  -0.982  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.666   2.139   1.834  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.593  -4.687  -0.410  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.459  -5.803  -2.553  1.00  0.00           H  
HETATM   51  H   UNL     1       8.295   0.895   2.077  1.00  0.00           H  
HETATM   52  H   UNL     1       9.375   3.665   2.073  1.00  0.00           H  
HETATM   53  H   UNL     1       9.851   4.302   0.480  1.00  0.00           H  
HETATM   54  H   UNL     1       8.137   3.967   0.829  1.00  0.00           H  
HETATM   55  H   UNL     1      10.845   0.674   0.446  1.00  0.00           H  
HETATM   56  H   UNL     1      11.483   2.334   0.372  1.00  0.00           H  
HETATM   57  H   UNL     1      10.863   1.686   1.910  1.00  0.00           H  
HETATM   58  H   UNL     1       6.369   0.693  -2.365  1.00  0.00           H  
HETATM   59  H   UNL     1       7.707   1.496  -3.221  1.00  0.00           H  
HETATM   60  H   UNL     1       8.023   0.048  -2.234  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.985   5.301  -1.372  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.412  -2.450  -2.347  1.00  0.00           H  
HETATM   63  H   UNL     1       6.974   3.712  -0.283  1.00  0.00           H  
HETATM   64  H   UNL     1       7.203   3.716  -2.049  1.00  0.00           H  
HETATM   65  H   UNL     1       5.802   2.881  -1.335  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.137  -3.717  -0.961  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.305  -3.131   0.499  1.00  0.00           H  
HETATM   68  H   UNL     1      10.329   3.753  -1.464  1.00  0.00           H  
CONECT    1    2    8   12                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2   41    5                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8   22                                       
CONECT    8    1    7    7   42                                       
CONECT    9   32   40   13   17                                       
CONECT    9   17                                                      
CONECT   10   18   32   14   14                                       
CONECT   10   33                                                      
CONECT   11   34   33   15   19                                       
CONECT   11   19                                                      
CONECT   12    1   43   16   36                                       
CONECT   13    9   44                                                 
CONECT   14   10   10                                                 
CONECT   15   11   45                                                 
CONECT   16   12   46   47   20                                       
CONECT   17    9    9                                                 
CONECT   18   10   48                                                 
CONECT   19   11   11                                                 
CONECT   20   16   49   21   35                                       
CONECT   21   20   50                                                 
CONECT   22    7   23   23   23                                       
CONECT   23   22   22   22   24                                       
CONECT   24   23   28   25   25                                       
CONECT   25   24   24   26   51                                       
CONECT   26   25   29   27   30                                       
CONECT   27   26   28   38                                            
CONECT   28   24   27   37   31                                       
CONECT   29   26   52   53   54                                       
CONECT   30   26   55   56   57                                       
CONECT   31   28   58   59   60                                       
CONECT   32    9   10                                                 
CONECT   33   11   10                                                 
CONECT   34   11   61                                                 
CONECT   35   20   36   62   39                                       
CONECT   36   35   12                                                 
CONECT   37   28   63   64   65                                       
CONECT   38   27   68                                                 
CONECT   39   35   40   66   67                                       
CONECT   40    9   39                                                 
CONECT   41    4                                                      
CONECT   42    8                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   25                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   39                                                      
CONECT   67   39                                                      
CONECT   68   38                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
