COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.948   0.107  -0.956  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.674   0.213   1.453  1.00  0.00           N  
HETATM    3  C   UNL     1      -7.010   0.318   1.757  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.306   2.897   1.062  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.140   3.968   0.975  1.00  0.00           C  
HETATM    6  C   UNL     1       1.282   4.013  -1.058  1.00  0.00           C  
HETATM    7  C   UNL     1       2.743   3.971  -3.084  1.00  0.00           C  
HETATM    8  C   UNL     1       2.119  -6.238  -0.192  1.00  0.00           C  
HETATM    9  C   UNL     1       1.274  -5.259  -0.679  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.215  -5.556  -0.829  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.251  -4.267  -0.663  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.072  -3.139  -0.094  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.411  -3.060  -0.830  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.340  -2.090  -0.096  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.170   0.726   0.176  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.337   2.247   0.137  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.141   3.435   0.229  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.467   4.587   0.977  1.00  0.00           C  
HETATM   19  C   UNL     1       1.275   4.084   0.470  1.00  0.00           C  
HETATM   20  C   UNL     1       2.714   4.187  -1.570  1.00  0.00           C  
HETATM   21  C   UNL     1       4.175   4.145  -3.596  1.00  0.00           C  
HETATM   22  C   UNL     1       2.444   1.995   0.146  1.00  0.00           C  
HETATM   23  C   UNL     1       3.245   0.823   0.651  1.00  0.00           C  
HETATM   24  C   UNL     1       4.570   1.319   1.231  1.00  0.00           C  
HETATM   25  C   UNL     1       5.326   0.144   1.855  1.00  0.00           C  
HETATM   26  C   UNL     1       6.652   0.641   2.436  1.00  0.00           C  
HETATM   27  C   UNL     1       7.407  -0.535   3.059  1.00  0.00           C  
HETATM   28  C   UNL     1       3.420  -1.425  -0.195  1.00  0.00           C  
HETATM   29  C   UNL     1       3.687  -2.421  -1.294  1.00  0.00           C  
HETATM   30  C   UNL     1       3.133  -3.766  -0.903  1.00  0.00           C  
HETATM   31  C   UNL     1       1.781  -4.023  -1.035  1.00  0.00           C  
HETATM   32  C   UNL     1       3.978  -4.746  -0.414  1.00  0.00           C  
HETATM   33  C   UNL     1       3.471  -5.981  -0.059  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.970  -4.435  -0.235  1.00  0.00           N  
HETATM   35  N   UNL     1      -6.020  -1.234  -1.070  1.00  0.00           N  
HETATM   36  N   UNL     1      -7.501  -0.254   2.907  1.00  0.00           N  
HETATM   37  N   UNL     1      -7.813   0.959   0.955  1.00  0.00           N  
HETATM   38  N   UNL     1      -1.103   4.770   0.432  1.00  0.00           N  
HETATM   39  N   UNL     1       4.204   3.938  -5.050  1.00  0.00           N  
HETATM   40  N   UNL     1       2.069   2.967   1.021  1.00  0.00           N  
HETATM   41  N   UNL     1       8.680  -0.058   3.617  1.00  0.00           N  
HETATM   42  N   UNL     1       3.510  -0.092  -0.481  1.00  0.00           N  
HETATM   43  O   UNL     1      -0.420   3.175   1.849  1.00  0.00           O  
HETATM   44  O   UNL     1       2.137   2.071  -1.025  1.00  0.00           O  
HETATM   45  O   UNL     1       3.131  -1.799   0.922  1.00  0.00           O  
HETATM   46  O   UNL     1      -6.512   0.815  -1.763  1.00  0.00           O  
HETATM   47  O   UNL     1      -2.726  -5.016  -1.491  1.00  0.00           O  
HETATM   48  H   UNL     1      -5.064  -0.202   2.083  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.773   3.717   1.607  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.934   2.156   1.770  1.00  0.00           H  
HETATM   51  H   UNL     1       0.896   3.046  -1.379  1.00  0.00           H  
HETATM   52  H   UNL     1       0.654   4.807  -1.461  1.00  0.00           H  
HETATM   53  H   UNL     1       2.395   2.965  -3.315  1.00  0.00           H  
HETATM   54  H   UNL     1       2.094   4.701  -3.568  1.00  0.00           H  
HETATM   55  H   UNL     1       1.723  -7.204   0.085  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.465  -5.648  -1.886  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.455  -6.487  -0.315  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.251  -3.319   0.967  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.534  -2.200  -0.217  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.246  -2.705  -1.847  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.869  -4.049  -0.859  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.080  -2.655   0.471  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.755  -1.472   0.585  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.115   0.474   0.074  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.341   2.511   0.470  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.186   2.603  -0.882  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.417   2.638   0.059  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.516   3.795  -0.729  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.043   5.501   0.837  1.00  0.00           H  
HETATM   70  H   UNL     1       1.703   5.032   0.797  1.00  0.00           H  
HETATM   71  H   UNL     1       3.062   5.194  -1.339  1.00  0.00           H  
HETATM   72  H   UNL     1       3.363   3.457  -1.086  1.00  0.00           H  
HETATM   73  H   UNL     1       4.524   5.151  -3.365  1.00  0.00           H  
HETATM   74  H   UNL     1       4.825   3.415  -3.112  1.00  0.00           H  
HETATM   75  H   UNL     1       2.679   0.298   1.421  1.00  0.00           H  
HETATM   76  H   UNL     1       5.174   1.758   0.437  1.00  0.00           H  
HETATM   77  H   UNL     1       4.374   2.072   1.995  1.00  0.00           H  
HETATM   78  H   UNL     1       4.723  -0.295   2.650  1.00  0.00           H  
HETATM   79  H   UNL     1       5.523  -0.608   1.091  1.00  0.00           H  
HETATM   80  H   UNL     1       7.255   1.079   1.641  1.00  0.00           H  
HETATM   81  H   UNL     1       6.455   1.393   3.200  1.00  0.00           H  
HETATM   82  H   UNL     1       6.804  -0.974   3.854  1.00  0.00           H  
HETATM   83  H   UNL     1       7.604  -1.287   2.295  1.00  0.00           H  
HETATM   84  H   UNL     1       3.206  -2.084  -2.213  1.00  0.00           H  
HETATM   85  H   UNL     1       4.761  -2.504  -1.456  1.00  0.00           H  
HETATM   86  H   UNL     1       1.121  -3.257  -1.414  1.00  0.00           H  
HETATM   87  H   UNL     1       5.034  -4.545  -0.311  1.00  0.00           H  
HETATM   88  H   UNL     1       4.131  -6.746   0.323  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.573  -3.847   0.427  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.524  -1.632  -1.797  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.903  -0.731   3.504  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.444  -0.180   3.122  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.740   1.096   1.204  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.906   5.416  -0.264  1.00  0.00           H  
HETATM   95  H   UNL     1       5.139   4.047  -5.412  1.00  0.00           H  
HETATM   96  H   UNL     1       3.824   3.035  -5.294  1.00  0.00           H  
HETATM   97  H   UNL     1       2.310   2.928   1.960  1.00  0.00           H  
HETATM   98  H   UNL     1       9.198  -0.816   4.035  1.00  0.00           H  
HETATM   99  H   UNL     1       9.230   0.411   2.913  1.00  0.00           H  
HETATM  100  H   UNL     1       3.733   0.232  -1.368  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.407   4.347   2.039  1.00  0.00           H  
CONECT    1   35   15   46   46                                       
CONECT    2    3   15   48                                            
CONECT    3   37   37    2   36                                       
CONECT    4   16   17   49   50                                       
CONECT    5   38   43   43   19                                       
CONECT    6   19   20   51   52                                       
CONECT    7   20   21   53   54                                       
CONECT    8    9    9   33   55                                       
CONECT    9   10    8    8   31                                       
CONECT   10   34    9   56   57                                       
CONECT   11   12   34   47   47                                       
CONECT   12   13   11   58   59                                       
CONECT   13   12   14   60   61                                       
CONECT   14   13   35   62   63                                       
CONECT   15    2   16    1   64                                       
CONECT   16   15    4   65   66                                       
CONECT   17    4   18   67   68                                       
CONECT   18   17   38   69  101                                       
CONECT   19    5   40    6   70                                       
CONECT   20    6    7   71   72                                       
CONECT   21    7   39   73   74                                       
CONECT   22   44   44   23   40                                       
CONECT   23   22   42   24   75                                       
CONECT   24   23   25   76   77                                       
CONECT   25   24   26   78   79                                       
CONECT   26   25   27   80   81                                       
CONECT   27   26   41   82   83                                       
CONECT   28   45   45   29   42                                       
CONECT   29   30   28   84   85                                       
CONECT   30   31   31   32   29                                       
CONECT   31    9   30   30   86                                       
CONECT   32   33   33   30   87                                       
CONECT   33    8   32   32   88                                       
CONECT   34   11   10   89                                            
CONECT   35   14    1   90                                            
CONECT   36    3   91   92                                            
CONECT   37    3    3   93                                            
CONECT   38   18    5   94                                            
CONECT   39   21   95   96                                            
CONECT   40   22   19   97                                            
CONECT   41   27   98   99                                            
CONECT   42   28   23  100                                            
CONECT   43    5    5                                                 
CONECT   44   22   22                                                 
CONECT   45   28   28                                                 
CONECT   46    1    1                                                 
CONECT   47   11   11                                                 
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   18                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
