COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.877  -0.344   0.840  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.788  -0.238   2.065  1.00  0.00           C  
HETATM    3  N   UNL     1     -12.381   1.105   2.118  1.00  0.00           N  
HETATM    4  C   UNL     1     -13.263   1.337   0.966  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.336   2.136   2.197  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.425   2.030   0.971  1.00  0.00           C  
HETATM    7  N   UNL     1      -9.833   0.687   0.919  1.00  0.00           N  
HETATM    8  C   UNL     1      -8.892   0.570  -0.203  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.821   1.657  -0.086  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.862   1.554  -1.276  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.227  -0.808  -0.170  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.273  -0.939  -1.361  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.329   0.187  -1.337  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.999  -0.031  -1.370  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.231   0.909  -1.441  1.00  0.00           O  
HETATM   16  N   UNL     1      -4.521  -1.290  -1.324  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.145  -1.513  -1.275  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.302  -0.503  -0.835  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.658  -2.687  -1.646  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.363  -2.943  -1.617  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.462  -1.988  -1.196  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.932  -0.739  -0.792  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.074   0.223  -0.367  1.00  0.00           O  
HETATM   24  C   UNL     1       1.244  -0.096  -0.268  1.00  0.00           C  
HETATM   25  C   UNL     1       2.031  -0.152  -1.410  1.00  0.00           C  
HETATM   26  C   UNL     1       3.371  -0.475  -1.309  1.00  0.00           C  
HETATM   27  F   UNL     1       4.138  -0.530  -2.420  1.00  0.00           F  
HETATM   28  C   UNL     1       1.802  -0.359   0.974  1.00  0.00           C  
HETATM   29  C   UNL     1       3.141  -0.683   1.076  1.00  0.00           C  
HETATM   30  C   UNL     1       3.929  -0.744  -0.064  1.00  0.00           C  
HETATM   31  N   UNL     1       5.288  -1.073   0.039  1.00  0.00           N  
HETATM   32  C   UNL     1       5.734  -1.773   1.101  1.00  0.00           C  
HETATM   33  O   UNL     1       4.947  -2.195   1.922  1.00  0.00           O  
HETATM   34  C   UNL     1       7.209  -2.030   1.269  1.00  0.00           C  
HETATM   35  C   UNL     1       7.759  -3.358   0.742  1.00  0.00           C  
HETATM   36  C   UNL     1       7.627  -3.128   2.249  1.00  0.00           C  
HETATM   37  C   UNL     1       8.097  -0.817   1.163  1.00  0.00           C  
HETATM   38  O   UNL     1       9.103  -0.742   1.835  1.00  0.00           O  
HETATM   39  N   UNL     1       7.773   0.183   0.320  1.00  0.00           N  
HETATM   40  C   UNL     1       8.651   1.259   0.139  1.00  0.00           C  
HETATM   41  C   UNL     1      10.023   1.055   0.209  1.00  0.00           C  
HETATM   42  C   UNL     1      10.887   2.117   0.031  1.00  0.00           C  
HETATM   43  C   UNL     1      10.387   3.384  -0.217  1.00  0.00           C  
HETATM   44  F   UNL     1      11.234   4.422  -0.392  1.00  0.00           F  
HETATM   45  C   UNL     1       9.019   3.589  -0.288  1.00  0.00           C  
HETATM   46  C   UNL     1       8.151   2.529  -0.116  1.00  0.00           C  
HETATM   47  H   UNL     1     -10.414  -1.330   0.815  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.467  -0.196  -0.065  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.581  -0.983   1.994  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.204  -0.414   2.969  1.00  0.00           H  
HETATM   51  H   UNL     1     -14.066   0.600   0.970  1.00  0.00           H  
HETATM   52  H   UNL     1     -13.688   2.338   1.030  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.688   1.244   0.044  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.800   3.122   2.222  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.747   1.988   3.102  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.009   2.206   0.068  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.633   2.775   1.042  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.431   0.690  -1.143  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.297   2.638  -0.086  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.265   1.523   0.842  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.398   1.778  -2.198  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.042   2.261  -1.147  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.667  -0.920   0.759  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.992  -1.582  -0.229  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.723  -1.878  -1.287  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.843  -0.921  -2.290  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.134  -2.042  -1.324  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.703   0.452  -0.530  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.005  -3.913  -1.927  1.00  0.00           H  
HETATM   70  H   UNL     1       0.595  -2.206  -1.175  1.00  0.00           H  
HETATM   71  H   UNL     1       1.597   0.057  -2.376  1.00  0.00           H  
HETATM   72  H   UNL     1       1.189  -0.311   1.862  1.00  0.00           H  
HETATM   73  H   UNL     1       3.575  -0.887   2.044  1.00  0.00           H  
HETATM   74  H   UNL     1       5.908  -0.796  -0.654  1.00  0.00           H  
HETATM   75  H   UNL     1       7.053  -4.044   0.274  1.00  0.00           H  
HETATM   76  H   UNL     1       8.763  -3.353   0.318  1.00  0.00           H  
HETATM   77  H   UNL     1       8.545  -2.974   2.817  1.00  0.00           H  
HETATM   78  H   UNL     1       6.835  -3.664   2.773  1.00  0.00           H  
HETATM   79  H   UNL     1       6.931   0.158  -0.161  1.00  0.00           H  
HETATM   80  H   UNL     1      10.413   0.067   0.403  1.00  0.00           H  
HETATM   81  H   UNL     1      11.954   1.959   0.085  1.00  0.00           H  
HETATM   82  H   UNL     1       8.631   4.578  -0.481  1.00  0.00           H  
HETATM   83  H   UNL     1       7.085   2.688  -0.175  1.00  0.00           H  
CONECT    1    2    7   47   48                                       
CONECT    2    1    3   49   50                                       
CONECT    3    2    4    5                                            
CONECT    4    3   51   52   53                                       
CONECT    5    3    6   54   55                                       
CONECT    6    7    5   56   57                                       
CONECT    7    1    6    8                                            
CONECT    8    7    9   11   58                                       
CONECT    9    8   10   59   60                                       
CONECT   10    9   13   61   62                                       
CONECT   11    8   12   63   64                                       
CONECT   12   11   13   65   66                                       
CONECT   13   10   12   14                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   67                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   22   68                                       
CONECT   19   17   20   20                                            
CONECT   20   19   19   21   69                                       
CONECT   21   22   22   20   70                                       
CONECT   22   18   23   21   21                                       
CONECT   23   22   24                                                 
CONECT   24   23   28   28   25                                       
CONECT   25   24   26   26   71                                       
CONECT   26   25   25   30   27                                       
CONECT   27   26                                                      
CONECT   28   24   24   29   72                                       
CONECT   29   28   30   30   73                                       
CONECT   30   29   29   26   31                                       
CONECT   31   30   32   74                                            
CONECT   32   33   33   31   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   36   37                                       
CONECT   35   34   36   75   76                                       
CONECT   36   35   34   77   78                                       
CONECT   37   34   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   79                                            
CONECT   40   39   46   46   41                                       
CONECT   41   40   42   42   80                                       
CONECT   42   41   41   43   81                                       
CONECT   43   45   45   42   44                                       
CONECT   44   43                                                      
CONECT   45   46   43   43   82                                       
CONECT   46   40   40   45   83                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   16                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   25                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   39                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   45                                                      
CONECT   83   46                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
