COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      16.615   1.765   0.782  1.00  0.00           C  
HETATM    2  N   UNL     1      15.200   1.862   1.148  1.00  0.00           N  
HETATM    3  C   UNL     1      14.287   1.098   0.517  1.00  0.00           C  
HETATM    4  O   UNL     1      14.637   0.329  -0.357  1.00  0.00           O  
HETATM    5  N   UNL     1      12.985   1.187   0.854  1.00  0.00           N  
HETATM    6  C   UNL     1      12.049   0.405   0.207  1.00  0.00           C  
HETATM    7  N   UNL     1      12.424  -0.420  -0.729  1.00  0.00           N  
HETATM    8  N   UNL     1      10.721   0.496   0.551  1.00  0.00           N  
HETATM    9  C   UNL     1       3.484  -1.189   0.134  1.00  0.00           C  
HETATM   10  C   UNL     1       2.447  -2.057  -0.582  1.00  0.00           C  
HETATM   11  N   UNL     1       1.116  -1.776  -0.039  1.00  0.00           N  
HETATM   12  C   UNL     1       0.040  -2.428  -0.522  1.00  0.00           C  
HETATM   13  O   UNL     1       0.173  -3.248  -1.408  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.184  -2.170  -0.022  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.313  -2.919  -0.598  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.231  -3.366   0.528  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.211  -4.470   0.136  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.894  -2.119  -1.808  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.304  -2.340  -2.106  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.613  -0.659  -1.715  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.489  -0.175  -1.791  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.678   0.222  -1.520  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.461   1.620  -1.542  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.783   2.082  -0.216  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.275   1.832  -0.299  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.570   2.436  -1.941  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.188   1.880  -3.114  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.083   3.870  -2.323  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.687   2.600  -0.923  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.436   1.442  -0.389  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.438   0.230  -1.362  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.167   3.431   0.167  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.981   3.459   1.378  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.314   4.131   1.164  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.231   4.200   2.479  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.208   2.149   1.866  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.954   1.055   0.977  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.709  -0.182   1.595  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.878   0.291   2.474  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.678  -1.003   2.432  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.335  -2.288   1.764  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.167  -2.611   0.564  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.483  -3.409   2.760  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.880  -2.156   1.335  1.00  0.00           C  
HETATM   45  O   UNL     1      -3.689  -0.968   0.668  1.00  0.00           O  
HETATM   46  C   UNL     1      -2.362  -0.449   0.774  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.079   0.415  -0.384  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.853   1.104  -1.307  1.00  0.00           C  
HETATM   49  C   UNL     1       4.874  -1.483  -0.433  1.00  0.00           C  
HETATM   50  C   UNL     1       5.911  -0.615   0.283  1.00  0.00           C  
HETATM   51  C   UNL     1       7.301  -0.909  -0.285  1.00  0.00           C  
HETATM   52  C   UNL     1       8.338  -0.041   0.432  1.00  0.00           C  
HETATM   53  C   UNL     1       9.728  -0.335  -0.136  1.00  0.00           C  
HETATM   54  H   UNL     1      16.964   0.746   0.947  1.00  0.00           H  
HETATM   55  H   UNL     1      16.737   2.024  -0.270  1.00  0.00           H  
HETATM   56  H   UNL     1      17.197   2.453   1.395  1.00  0.00           H  
HETATM   57  H   UNL     1      14.920   2.476   1.845  1.00  0.00           H  
HETATM   58  H   UNL     1      12.705   1.801   1.551  1.00  0.00           H  
HETATM   59  H   UNL     1      11.767  -0.969  -1.183  1.00  0.00           H  
HETATM   60  H   UNL     1      10.442   1.110   1.248  1.00  0.00           H  
HETATM   61  H   UNL     1       3.244  -0.137  -0.017  1.00  0.00           H  
HETATM   62  H   UNL     1       3.472  -1.415   1.201  1.00  0.00           H  
HETATM   63  H   UNL     1       2.459  -1.831  -1.649  1.00  0.00           H  
HETATM   64  H   UNL     1       2.687  -3.109  -0.431  1.00  0.00           H  
HETATM   65  H   UNL     1       1.009  -1.121   0.669  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.881  -3.805  -1.054  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.507  -3.829   1.302  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.728  -5.153  -0.563  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.517  -5.018   1.027  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.087  -4.027  -0.337  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.311  -2.438  -2.612  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.906  -2.059  -1.242  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.594  -1.732  -2.963  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.466  -3.393  -2.335  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.609   1.740  -2.321  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.967   3.146  -0.065  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.198   1.519   0.620  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.755   2.525   0.362  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.059   0.808   0.004  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.938   1.986  -1.324  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.597   1.815  -3.877  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.375   3.805  -3.149  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.938   4.476  -2.623  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.596   4.329  -1.462  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.436   3.309  -1.446  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.513   1.674  -0.287  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.413  -0.095  -1.540  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.007  -0.588  -0.921  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.896   0.523  -2.307  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.873   3.595   0.397  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.878   4.124   2.097  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.155   5.161   0.844  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.026   5.220   2.156  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.840   4.220   3.383  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.291   3.688   2.686  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.900   0.814   0.986  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.173  -0.806   0.789  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.577   0.869   1.870  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.391  -0.575   2.894  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.495   0.914   3.283  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.818  -0.456   2.585  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.250  -1.254   3.296  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.113  -2.686   0.750  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.776  -4.203   2.521  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.282  -3.032   3.763  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.499  -3.802   2.717  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.257  -2.098   2.257  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.272   0.133   1.692  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.650  -1.273   0.795  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.651   1.719  -2.134  1.00  0.00           H  
HETATM  111  H   UNL     1       5.114  -2.535  -0.282  1.00  0.00           H  
HETATM  112  H   UNL     1       4.886  -1.257  -1.500  1.00  0.00           H  
HETATM  113  H   UNL     1       5.671   0.437   0.132  1.00  0.00           H  
HETATM  114  H   UNL     1       5.899  -0.841   1.349  1.00  0.00           H  
HETATM  115  H   UNL     1       7.541  -1.961  -0.133  1.00  0.00           H  
HETATM  116  H   UNL     1       7.313  -0.683  -1.351  1.00  0.00           H  
HETATM  117  H   UNL     1       8.099   1.011   0.281  1.00  0.00           H  
HETATM  118  H   UNL     1       8.326  -0.267   1.498  1.00  0.00           H  
HETATM  119  H   UNL     1       9.740  -0.109  -1.202  1.00  0.00           H  
HETATM  120  H   UNL     1       9.968  -1.387   0.016  1.00  0.00           H  
CONECT    1    2   54   55   56                                       
CONECT    2    1    3   57                                            
CONECT    3    4    4    2    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   58                                            
CONECT    6    7    7    5    8                                       
CONECT    7    6    6   59                                            
CONECT    8    6   53   60                                            
CONECT    9   49   10   61   62                                       
CONECT   10    9   11   63   64                                       
CONECT   11   10   12   65                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15                                                 
CONECT   15   14   18   16   66                                       
CONECT   16   15   44   17   67                                       
CONECT   17   16   68   69   70                                       
CONECT   18   19   15   20   71                                       
CONECT   19   18   72   73   74                                       
CONECT   20   18   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23                                                 
CONECT   23   22   24   26   75                                       
CONECT   24   23   25   76   77                                       
CONECT   25   24   78   79   80                                       
CONECT   26   23   28   29   27                                       
CONECT   27   26   81                                                 
CONECT   28   26   82   83   84                                       
CONECT   29   26   30   32   85                                       
CONECT   30   29   37   31   86                                       
CONECT   31   30   87   88   89                                       
CONECT   32   29   33                                                 
CONECT   33   34   36   32   35                                       
CONECT   34   33   90   91   92                                       
CONECT   35   33   93   94   95                                       
CONECT   36   37   33                                                 
CONECT   37   38   36   30   96                                       
CONECT   38   40   39   37   97                                       
CONECT   39   38   98   99  100                                       
CONECT   40   41   38  101  102                                       
CONECT   41   44   43   42   40                                       
CONECT   42   41  103                                                 
CONECT   43   41  104  105  106                                       
CONECT   44   45   16   41  107                                       
CONECT   45   46   44                                                 
CONECT   46   47   45  108  109                                       
CONECT   47   48   48   48   46                                       
CONECT   48   47   47   47  110                                       
CONECT   49   50    9  111  112                                       
CONECT   50   51   49  113  114                                       
CONECT   51   50   52  115  116                                       
CONECT   52   51   53  117  118                                       
CONECT   53    8   52  119  120                                       
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    5                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   34                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   37                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   39                                                      
CONECT  101   40                                                      
CONECT  102   40                                                      
CONECT  103   42                                                      
CONECT  104   43                                                      
CONECT  105   43                                                      
CONECT  106   43                                                      
CONECT  107   44                                                      
CONECT  108   46                                                      
CONECT  109   46                                                      
CONECT  110   48                                                      
CONECT  111   49                                                      
CONECT  112   49                                                      
CONECT  113   50                                                      
CONECT  114   50                                                      
CONECT  115   51                                                      
CONECT  116   51                                                      
CONECT  117   52                                                      
CONECT  118   52                                                      
CONECT  119   53                                                      
CONECT  120   53                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
