COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.859   0.057  -0.554  1.00  0.00           C  
HETATM    2  C   UNL     1       5.578  -1.263  -0.264  1.00  0.00           C  
HETATM    3  C   UNL     1       5.218  -1.732   1.149  1.00  0.00           C  
HETATM    4  C   UNL     1       5.591  -0.635   2.150  1.00  0.00           C  
HETATM    5  C   UNL     1       4.871   0.661   1.767  1.00  0.00           C  
HETATM    6  C   UNL     1       5.285   1.778   2.728  1.00  0.00           C  
HETATM    7  C   UNL     1       5.968  -3.312  -1.523  1.00  0.00           C  
HETATM    8  C   UNL     1       5.536  -4.352  -2.525  1.00  0.00           C  
HETATM    9  N   UNL     1       5.158  -2.273  -1.238  1.00  0.00           N  
HETATM   10  C   UNL     1       3.346  -0.166  -0.511  1.00  0.00           C  
HETATM   11  O   UNL     1       5.942  -2.925   1.456  1.00  0.00           O  
HETATM   12  O   UNL     1       7.003  -0.422   2.122  1.00  0.00           O  
HETATM   13  O   UNL     1       5.226   1.025   0.432  1.00  0.00           O  
HETATM   14  O   UNL     1       4.528   2.956   2.443  1.00  0.00           O  
HETATM   15  O   UNL     1       7.045  -3.410  -0.973  1.00  0.00           O  
HETATM   16  N   UNL     1      -6.092  -1.213  -0.069  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.879  -1.853   1.096  1.00  0.00           C  
HETATM   18  N   UNL     1      -6.336  -3.103   1.291  1.00  0.00           N  
HETATM   19  C   UNL     1      -7.017  -3.739   0.317  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.248  -3.077  -0.914  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.779  -1.822  -1.083  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.265  -1.293   1.984  1.00  0.00           O  
HETATM   23  O   UNL     1      -7.430  -4.871   0.493  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.588   0.150  -0.250  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.245   1.108   0.775  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.487   1.616   0.282  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.175   2.230   0.859  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.859   1.442   0.680  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.181   0.204   0.035  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.347   3.178  -0.196  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.888   2.243  -0.189  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.634   1.562  -0.254  1.00  0.00           O  
HETATM   33  P   UNL     1      -0.374   2.122  -1.086  1.00  0.00           P  
HETATM   34  O   UNL     1      -0.730   2.133  -2.656  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.062   3.499  -0.641  1.00  0.00           O  
HETATM   36  O   UNL     1       0.902   1.174  -0.830  1.00  0.00           O  
HETATM   37  P   UNL     1       2.491   1.367  -1.001  1.00  0.00           P  
HETATM   38  O   UNL     1       2.947   2.483  -0.142  1.00  0.00           O  
HETATM   39  O   UNL     1       2.829   1.702  -2.539  1.00  0.00           O  
HETATM   40  H   UNL     1       5.145   0.418  -1.542  1.00  0.00           H  
HETATM   41  H   UNL     1       6.656  -1.114  -0.335  1.00  0.00           H  
HETATM   42  H   UNL     1       4.147  -1.931   1.205  1.00  0.00           H  
HETATM   43  H   UNL     1       5.288  -0.938   3.153  1.00  0.00           H  
HETATM   44  H   UNL     1       3.793   0.510   1.828  1.00  0.00           H  
HETATM   45  H   UNL     1       5.095   1.463   3.754  1.00  0.00           H  
HETATM   46  H   UNL     1       6.347   1.989   2.603  1.00  0.00           H  
HETATM   47  H   UNL     1       4.997  -5.148  -2.012  1.00  0.00           H  
HETATM   48  H   UNL     1       4.884  -3.892  -3.267  1.00  0.00           H  
HETATM   49  H   UNL     1       6.414  -4.767  -3.019  1.00  0.00           H  
HETATM   50  H   UNL     1       4.297  -2.195  -1.677  1.00  0.00           H  
HETATM   51  H   UNL     1       3.077  -0.968  -1.199  1.00  0.00           H  
HETATM   52  H   UNL     1       3.048  -0.441   0.501  1.00  0.00           H  
HETATM   53  H   UNL     1       5.762  -3.279   2.337  1.00  0.00           H  
HETATM   54  H   UNL     1       7.311   0.261   2.733  1.00  0.00           H  
HETATM   55  H   UNL     1       4.738   3.706   3.015  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.174  -3.550   2.137  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.792  -3.570  -1.706  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.949  -1.300  -2.013  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.781   0.492  -1.267  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.379   0.619   1.740  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.934   2.220   0.891  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.206   2.724   1.831  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.410   1.247   1.654  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.199   3.636  -0.177  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.299   2.345  -1.193  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.743   3.232   0.246  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.945   1.262  -3.016  1.00  0.00           H  
HETATM   68  H   UNL     1       2.557   1.013  -3.161  1.00  0.00           H  
CONECT    1   10   13    2   40                                       
CONECT    2    1    3    9   41                                       
CONECT    3    4    2   11   42                                       
CONECT    4    5    3   12   43                                       
CONECT    5    6   13    4   44                                       
CONECT    6    5   14   45   46                                       
CONECT    7    9    8   15   15                                       
CONECT    8    7   47   48   49                                       
CONECT    9    2    7   50                                            
CONECT   10   37    1   51   52                                       
CONECT   11    3   53                                                 
CONECT   12    4   54                                                 
CONECT   13    5    1                                                 
CONECT   14    6   55                                                 
CONECT   15    7    7                                                 
CONECT   16   17   21   24                                            
CONECT   17   18   22   22   16                                       
CONECT   18   19   17   56                                            
CONECT   19   23   23   18   20                                       
CONECT   20   19   21   21   57                                       
CONECT   21   20   20   16   58                                       
CONECT   22   17   17                                                 
CONECT   23   19   19                                                 
CONECT   24   16   25   29   59                                       
CONECT   25   26   24   27   60                                       
CONECT   26   25   61                                                 
CONECT   27   25   30   28   62                                       
CONECT   28   27   29   31   63                                       
CONECT   29   24   28                                                 
CONECT   30   27   64                                                 
CONECT   31   28   32   65   66                                       
CONECT   32   31   33                                                 
CONECT   33   32   35   35   34                                       
CONECT   33   36                                                      
CONECT   34   33   67                                                 
CONECT   35   33   33                                                 
CONECT   36   33   37                                                 
CONECT   37   36   38   38   39                                       
CONECT   37   10                                                      
CONECT   38   37   37                                                 
CONECT   39   37   68                                                 
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   34                                                      
CONECT   68   39                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
