COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -9.202   1.089   0.762  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.475   0.183  -0.234  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.825  -1.278   0.056  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.908   0.539  -1.658  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.987   0.380  -0.098  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.363   0.119   1.108  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.998   0.299   1.232  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.246   0.814  -1.181  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.881   0.995  -1.056  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.257   0.739   0.152  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.769   0.936   0.288  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.078  -0.308  -0.058  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.733  -0.369  -0.007  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.094   0.608   0.324  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.024  -1.646  -0.362  1.00  0.00           C  
HETATM   16  N   UNL     1       1.418  -1.545  -0.180  1.00  0.00           N  
HETATM   17  C   UNL     1       2.231  -0.738  -0.884  1.00  0.00           C  
HETATM   18  O   UNL     1       1.725   0.119  -1.588  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.470  -2.769   0.634  1.00  0.00           C  
HETATM   20  C   UNL     1       0.561  -2.451   1.768  1.00  0.00           C  
HETATM   21  C   UNL     1       1.846  -2.487   0.873  1.00  0.00           C  
HETATM   22  C   UNL     1       3.001  -1.924   1.694  1.00  0.00           C  
HETATM   23  C   UNL     1       4.321  -2.330   1.041  1.00  0.00           C  
HETATM   24  C   UNL     1       4.227  -2.217  -0.481  1.00  0.00           C  
HETATM   25  C   UNL     1       5.611  -2.457  -1.096  1.00  0.00           C  
HETATM   26  O   UNL     1       6.020  -3.802  -0.840  1.00  0.00           O  
HETATM   27  C   UNL     1       3.728  -0.832  -0.876  1.00  0.00           C  
HETATM   28  N   UNL     1       4.296   0.195  -0.006  1.00  0.00           N  
HETATM   29  C   UNL     1       4.516   1.437  -0.483  1.00  0.00           C  
HETATM   30  O   UNL     1       4.241   1.701  -1.635  1.00  0.00           O  
HETATM   31  C   UNL     1       5.101   2.496   0.414  1.00  0.00           C  
HETATM   32  C   UNL     1       4.176   2.719   1.612  1.00  0.00           C  
HETATM   33  C   UNL     1       2.808   3.194   1.119  1.00  0.00           C  
HETATM   34  N   UNL     1       5.241   3.751  -0.336  1.00  0.00           N  
HETATM   35  C   UNL     1       6.262   4.616   0.269  1.00  0.00           C  
HETATM   36  H   UNL     1      -8.953   2.130   0.555  1.00  0.00           H  
HETATM   37  H   UNL     1     -10.278   0.947   0.663  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.894   0.836   1.776  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.901  -1.420  -0.043  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.307  -1.923  -0.654  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.517  -1.531   1.070  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.659   1.579  -1.864  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.390  -0.107  -2.367  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.984   0.397  -1.756  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.942  -0.225   1.952  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.511   0.097   2.175  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.732   1.013  -2.124  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.301   1.334  -1.901  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.445   1.731  -0.385  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.532   1.211   1.316  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.589  -1.089  -0.323  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.275  -1.958  -1.373  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.479  -2.598   0.971  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.291  -3.743   0.212  1.00  0.00           H  
HETATM   55  H   UNL     1       0.412  -1.473   2.192  1.00  0.00           H  
HETATM   56  H   UNL     1       0.589  -3.249   2.498  1.00  0.00           H  
HETATM   57  H   UNL     1       2.027  -3.476   0.498  1.00  0.00           H  
HETATM   58  H   UNL     1       2.921  -0.843   1.760  1.00  0.00           H  
HETATM   59  H   UNL     1       2.959  -2.342   2.705  1.00  0.00           H  
HETATM   60  H   UNL     1       5.128  -1.702   1.416  1.00  0.00           H  
HETATM   61  H   UNL     1       4.542  -3.369   1.308  1.00  0.00           H  
HETATM   62  H   UNL     1       3.538  -2.977  -0.863  1.00  0.00           H  
HETATM   63  H   UNL     1       5.565  -2.290  -2.172  1.00  0.00           H  
HETATM   64  H   UNL     1       6.330  -1.768  -0.653  1.00  0.00           H  
HETATM   65  H   UNL     1       6.889  -4.025  -1.202  1.00  0.00           H  
HETATM   66  H   UNL     1       4.081  -0.628  -1.901  1.00  0.00           H  
HETATM   67  H   UNL     1       4.516  -0.016   0.915  1.00  0.00           H  
HETATM   68  H   UNL     1       6.081   2.173   0.767  1.00  0.00           H  
HETATM   69  H   UNL     1       4.060   1.783   2.160  1.00  0.00           H  
HETATM   70  H   UNL     1       4.607   3.474   2.270  1.00  0.00           H  
HETATM   71  H   UNL     1       2.179   3.441   1.974  1.00  0.00           H  
HETATM   72  H   UNL     1       2.934   4.078   0.493  1.00  0.00           H  
HETATM   73  H   UNL     1       2.336   2.402   0.537  1.00  0.00           H  
HETATM   74  H   UNL     1       5.449   3.571  -1.307  1.00  0.00           H  
HETATM   75  H   UNL     1       6.410   5.497  -0.356  1.00  0.00           H  
HETATM   76  H   UNL     1       5.935   4.926   1.262  1.00  0.00           H  
HETATM   77  H   UNL     1       7.201   4.067   0.351  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    3    1    5    4                                       
CONECT    3    2   39   40   41                                       
CONECT    4    2   42   43   44                                       
CONECT    5    2    6    6    8                                       
CONECT    6    5    5    7   45                                       
CONECT    7    6   10   10   46                                       
CONECT    8    5    9    9   47                                       
CONECT    9    8    8   10   48                                       
CONECT   10    7    7    9   11                                       
CONECT   11   10   12   49   50                                       
CONECT   12   11   13   51                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   19   16   52                                       
CONECT   16   15   17   21                                            
CONECT   17   18   18   16   27                                       
CONECT   18   17   17                                                 
CONECT   19   15   20   53   54                                       
CONECT   20   19   21   55   56                                       
CONECT   21   16   22   20   57                                       
CONECT   22   23   21   58   59                                       
CONECT   23   22   24   60   61                                       
CONECT   24   23   25   27   62                                       
CONECT   25   26   24   63   64                                       
CONECT   26   25   65                                                 
CONECT   27   17   24   28   66                                       
CONECT   28   27   29   67                                            
CONECT   29   28   31   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   29   34   32   68                                       
CONECT   32   33   31   69   70                                       
CONECT   33   32   71   72   73                                       
CONECT   34   31   35   74                                            
CONECT   35   34   75   76   77                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
