COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.737   1.812   1.476  1.00  0.00           C  
HETATM    2  C   UNL     1       5.921   0.307   1.274  1.00  0.00           C  
HETATM    3  C   UNL     1       4.790  -0.231   0.395  1.00  0.00           C  
HETATM    4  C   UNL     1       4.974  -1.737   0.193  1.00  0.00           C  
HETATM    5  C   UNL     1       3.779  -2.297  -0.580  1.00  0.00           C  
HETATM    6  C   UNL     1       5.146  -4.052  -1.718  1.00  0.00           C  
HETATM    7  C   UNL     1       0.154  -1.444   0.302  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.989  -0.439  -0.275  1.00  0.00           C  
HETATM    9  C   UNL     1       5.614   4.726  -1.038  1.00  0.00           C  
HETATM   10  C   UNL     1       5.430   6.232  -0.836  1.00  0.00           C  
HETATM   11  C   UNL     1       6.561   6.770   0.043  1.00  0.00           C  
HETATM   12  C   UNL     1       6.530   6.066   1.401  1.00  0.00           C  
HETATM   13  C   UNL     1       6.714   4.560   1.199  1.00  0.00           C  
HETATM   14  C   UNL     1       5.583   4.022   0.320  1.00  0.00           C  
HETATM   15  C   UNL     1       5.767   2.517   0.118  1.00  0.00           C  
HETATM   16  C   UNL     1       4.637   1.978  -0.761  1.00  0.00           C  
HETATM   17  C   UNL     1       4.820   0.473  -0.963  1.00  0.00           C  
HETATM   18  C   UNL     1       3.962  -3.803  -0.781  1.00  0.00           C  
HETATM   19  O   UNL     1       2.776  -4.355  -1.356  1.00  0.00           O  
HETATM   20  C   UNL     1       5.235  -5.545  -2.042  1.00  0.00           C  
HETATM   21  C   UNL     1       4.947  -3.260  -3.012  1.00  0.00           C  
HETATM   22  O   UNL     1       6.354  -3.629  -1.082  1.00  0.00           O  
HETATM   23  N   UNL     1       2.549  -2.052   0.177  1.00  0.00           N  
HETATM   24  C   UNL     1       1.394  -1.810  -0.474  1.00  0.00           C  
HETATM   25  O   UNL     1       1.352  -1.887  -1.683  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.196  -2.577   1.268  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.361  -2.161   2.129  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.654  -2.425   1.715  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.723  -2.044   2.502  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.499  -1.397   3.709  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.550  -1.022   4.485  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.244  -0.361   5.715  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.201  -1.135   4.122  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.135  -1.522   3.334  1.00  0.00           C  
HETATM   35  N   UNL     1      -0.958  -1.232  -0.627  1.00  0.00           N  
HETATM   36  O   UNL     1      -1.996   0.100   0.812  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.134  -0.222  -1.231  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.608   0.408  -2.522  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.119   0.672  -0.617  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.407   0.628  -1.012  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.751  -0.153  -1.874  1.00  0.00           O  
HETATM   42  C   UNL     1      -6.421   1.547  -0.381  1.00  0.00           C  
HETATM   43  N   UNL     1      -7.741   1.305  -0.978  1.00  0.00           N1+
HETATM   44  C   UNL     1      -8.750   2.115  -0.282  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.124   1.861  -0.906  1.00  0.00           C  
HETATM   46  O   UNL     1     -10.073   2.171  -2.302  1.00  0.00           O  
HETATM   47  C   UNL     1      -9.087   1.424  -3.020  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.711   1.678  -2.399  1.00  0.00           C  
HETATM   49  H   UNL     1       4.779   2.000   1.961  1.00  0.00           H  
HETATM   50  H   UNL     1       6.543   2.196   2.102  1.00  0.00           H  
HETATM   51  H   UNL     1       6.879   0.120   0.789  1.00  0.00           H  
HETATM   52  H   UNL     1       5.899  -0.195   2.241  1.00  0.00           H  
HETATM   53  H   UNL     1       3.832  -0.044   0.880  1.00  0.00           H  
HETATM   54  H   UNL     1       5.889  -1.919  -0.371  1.00  0.00           H  
HETATM   55  H   UNL     1       5.042  -2.228   1.164  1.00  0.00           H  
HETATM   56  H   UNL     1       3.712  -1.807  -1.551  1.00  0.00           H  
HETATM   57  H   UNL     1       0.336  -0.529   0.866  1.00  0.00           H  
HETATM   58  H   UNL     1       4.808   4.343  -1.664  1.00  0.00           H  
HETATM   59  H   UNL     1       6.571   4.539  -1.523  1.00  0.00           H  
HETATM   60  H   UNL     1       5.451   6.734  -1.803  1.00  0.00           H  
HETATM   61  H   UNL     1       4.472   6.419  -0.350  1.00  0.00           H  
HETATM   62  H   UNL     1       7.518   6.583  -0.442  1.00  0.00           H  
HETATM   63  H   UNL     1       6.430   7.843   0.187  1.00  0.00           H  
HETATM   64  H   UNL     1       7.336   6.449   2.027  1.00  0.00           H  
HETATM   65  H   UNL     1       5.573   6.253   1.887  1.00  0.00           H  
HETATM   66  H   UNL     1       7.672   4.373   0.714  1.00  0.00           H  
HETATM   67  H   UNL     1       6.693   4.059   2.167  1.00  0.00           H  
HETATM   68  H   UNL     1       4.626   4.209   0.805  1.00  0.00           H  
HETATM   69  H   UNL     1       6.725   2.329  -0.367  1.00  0.00           H  
HETATM   70  H   UNL     1       3.679   2.165  -0.275  1.00  0.00           H  
HETATM   71  H   UNL     1       4.658   2.480  -1.728  1.00  0.00           H  
HETATM   72  H   UNL     1       5.778   0.286  -1.448  1.00  0.00           H  
HETATM   73  H   UNL     1       4.015   0.089  -1.589  1.00  0.00           H  
HETATM   74  H   UNL     1       4.154  -4.277   0.181  1.00  0.00           H  
HETATM   75  H   UNL     1       2.543  -3.978  -2.216  1.00  0.00           H  
HETATM   76  H   UNL     1       6.078  -5.722  -2.709  1.00  0.00           H  
HETATM   77  H   UNL     1       5.376  -6.109  -1.120  1.00  0.00           H  
HETATM   78  H   UNL     1       4.313  -5.867  -2.527  1.00  0.00           H  
HETATM   79  H   UNL     1       4.045  -3.608  -3.516  1.00  0.00           H  
HETATM   80  H   UNL     1       4.847  -2.201  -2.778  1.00  0.00           H  
HETATM   81  H   UNL     1       5.808  -3.409  -3.665  1.00  0.00           H  
HETATM   82  H   UNL     1       7.147  -3.758  -1.620  1.00  0.00           H  
HETATM   83  H   UNL     1       2.566  -2.064   1.147  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.464  -3.469   0.700  1.00  0.00           H  
HETATM   85  H   UNL     1       0.664  -2.794   1.901  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.828  -2.928   0.775  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.733  -2.249   2.178  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.170  -0.116   6.236  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.638  -1.017   6.339  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.691   0.556   5.507  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.024  -0.631   5.061  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.124  -1.322   3.657  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.953  -1.663  -1.497  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.604  -1.179  -1.459  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.435   0.566  -3.213  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.138   1.365  -2.294  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.875  -0.257  -2.978  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.845   1.296   0.073  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.467   1.356   0.691  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.128   2.583  -0.553  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.975   0.328  -0.892  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.773   1.839   0.772  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.497   3.171  -0.377  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.395   0.813  -0.776  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.867   2.492  -0.420  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.322   0.361  -2.962  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.080   1.740  -4.063  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.458   2.734  -2.493  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.962   1.077  -2.917  1.00  0.00           H  
CONECT    1    2   15   49   50                                       
CONECT    2    1    3   51   52                                       
CONECT    3    2    4   17   53                                       
CONECT    4    3    5   54   55                                       
CONECT    5    4   18   23   56                                       
CONECT    6   20   21   22   18                                       
CONECT    7   24   26   35   57                                       
CONECT    8   35   36   36   37                                       
CONECT    9   10   14   58   59                                       
CONECT   10    9   11   60   61                                       
CONECT   11   10   12   62   63                                       
CONECT   12   11   13   64   65                                       
CONECT   13   12   14   66   67                                       
CONECT   14    9   13   15   68                                       
CONECT   15    1   14   16   69                                       
CONECT   16   15   17   70   71                                       
CONECT   17    3   16   72   73                                       
CONECT   18    5   19    6   74                                       
CONECT   19   18   75                                                 
CONECT   20    6   76   77   78                                       
CONECT   21    6   79   80   81                                       
CONECT   22    6   82                                                 
CONECT   23    5   24   83                                            
CONECT   24    7   23   25   25                                       
CONECT   25   24   24                                                 
CONECT   26    7   27   84   85                                       
CONECT   27   26   28   28   34                                       
CONECT   28   27   27   29   86                                       
CONECT   29   28   30   30   87                                       
CONECT   30   29   29   31   33                                       
CONECT   31   30   32                                                 
CONECT   32   31   88   89   90                                       
CONECT   33   30   34   34   91                                       
CONECT   34   27   33   33   92                                       
CONECT   35    7    8   93                                            
CONECT   36    8    8                                                 
CONECT   37    8   38   39   94                                       
CONECT   38   37   95   96   97                                       
CONECT   39   37   40   98                                            
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   43   99  100                                       
CONECT   43   42   44   48  101                                       
CONECT   44   43   45  102  103                                       
CONECT   45   44   46  104  105                                       
CONECT   46   45   47                                                 
CONECT   47   46   48  106  107                                       
CONECT   48   43   47  108  109                                       
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   23                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   38                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   42                                                      
CONECT  100   42                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   44                                                      
CONECT  104   45                                                      
CONECT  105   45                                                      
CONECT  106   47                                                      
CONECT  107   47                                                      
CONECT  108   48                                                      
CONECT  109   48                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
