COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      18.584   3.538  -0.543  1.00  0.00           N  
HETATM    2  C   UNL     1      12.724   0.530   0.552  1.00  0.00           C  
HETATM    3  C   UNL     1      11.422   0.596   1.353  1.00  0.00           C  
HETATM    4  N   UNL     1       9.062  -0.089   1.065  1.00  0.00           N  
HETATM    5  C   UNL     1      10.309  -0.033   0.555  1.00  0.00           C  
HETATM    6  O   UNL     1       9.706  -2.814  -1.431  1.00  0.00           O  
HETATM    7  C   UNL     1      17.613   1.697   0.589  1.00  0.00           C  
HETATM    8  O   UNL     1      -8.553  -2.466   3.404  1.00  0.00           O  
HETATM    9  C   UNL     1      15.155   1.103   0.560  1.00  0.00           C  
HETATM   10  C   UNL     1      13.854   1.169   1.362  1.00  0.00           C  
HETATM   11  N   UNL     1       5.515  -0.547   0.155  1.00  0.00           N  
HETATM   12  C   UNL     1      16.285   1.742   1.370  1.00  0.00           C  
HETATM   13  O   UNL     1      -8.550  -0.201   2.884  1.00  0.00           O  
HETATM   14  C   UNL     1      17.811   3.965   1.749  1.00  0.00           C  
HETATM   15  O   UNL     1      10.618  -2.473   0.844  1.00  0.00           O  
HETATM   16  C   UNL     1      18.475   2.948   0.801  1.00  0.00           C  
HETATM   17  N   UNL     1       1.298   0.034  -1.756  1.00  0.00           N  
HETATM   18  O   UNL     1      10.534  -0.489  -0.546  1.00  0.00           O  
HETATM   19  N   UNL     1      17.326   1.704  -0.854  1.00  0.00           N  
HETATM   20  S   UNL     1      15.999   3.547   1.579  1.00  0.00           S  
HETATM   21  C   UNL     1      17.906   2.775  -1.411  1.00  0.00           C  
HETATM   22  O   UNL     1      17.824   3.033  -2.597  1.00  0.00           O  
HETATM   23  C   UNL     1       7.980  -0.701   0.290  1.00  0.00           C  
HETATM   24  C   UNL     1       7.983  -2.214   0.516  1.00  0.00           C  
HETATM   25  S   UNL     1       9.574  -2.903  -0.019  1.00  0.00           S  
HETATM   26  O   UNL     1       9.453  -4.395   0.254  1.00  0.00           O  
HETATM   27  C   UNL     1       6.659  -0.129   0.734  1.00  0.00           C  
HETATM   28  O   UNL     1       6.624   0.707   1.612  1.00  0.00           O  
HETATM   29  C   UNL     1       4.231   0.010   0.587  1.00  0.00           C  
HETATM   30  C   UNL     1       3.115  -0.621  -0.213  1.00  0.00           C  
HETATM   31  C   UNL     1       2.457  -1.697   0.299  1.00  0.00           C  
HETATM   32  N   UNL     1       1.394  -2.336  -0.248  1.00  0.00           N  
HETATM   33  C   UNL     1       1.024  -3.341   0.531  1.00  0.00           C  
HETATM   34  C   UNL     1       1.909  -3.383   1.702  1.00  0.00           C  
HETATM   35  C   UNL     1       2.787  -2.366   1.568  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.053  -4.226   0.298  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.189  -3.797  -0.359  1.00  0.00           C  
HETATM   38  N   UNL     1      -1.436  -2.523  -0.838  1.00  0.00           N  
HETATM   39  C   UNL     1      -2.731  -2.502  -1.329  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.253  -3.812  -1.237  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.319  -4.598  -0.648  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.408  -1.395  -1.792  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.780  -0.129  -1.828  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.471   1.151  -1.623  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.534   2.119  -1.701  1.00  0.00           C  
HETATM   46  N   UNL     1      -1.492   0.105  -2.016  1.00  0.00           N  
HETATM   47  C   UNL     1      -1.256   1.441  -1.978  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.058   2.059  -2.150  1.00  0.00           C  
HETATM   49  C   UNL     1       1.155   1.283  -2.558  1.00  0.00           C  
HETATM   50  C   UNL     1       2.416   2.080  -2.298  1.00  0.00           C  
HETATM   51  C   UNL     1       3.323   1.311  -1.745  1.00  0.00           C  
HETATM   52  C   UNL     1       2.771  -0.090  -1.569  1.00  0.00           C  
HETATM   53  C   UNL     1      -4.836  -1.530  -2.261  1.00  0.00           C  
HETATM   54  N   UNL     1      -5.745  -1.199  -1.160  1.00  0.00           N  
HETATM   55  C   UNL     1      -7.078  -1.252  -1.348  1.00  0.00           C  
HETATM   56  O   UNL     1      -7.526  -1.572  -2.429  1.00  0.00           O  
HETATM   57  C   UNL     1      -8.013  -0.911  -0.216  1.00  0.00           C  
HETATM   58  C   UNL     1      -7.767  -1.867   0.953  1.00  0.00           C  
HETATM   59  S   UNL     1      -8.892  -1.458   2.316  1.00  0.00           S  
HETATM   60  O   UNL     1     -10.234  -1.761   1.963  1.00  0.00           O  
HETATM   61  N   UNL     1      -9.399  -1.043  -0.671  1.00  0.00           N  
HETATM   62  C   UNL     1     -10.378  -0.344  -0.062  1.00  0.00           C  
HETATM   63  O   UNL     1     -10.110   0.394   0.863  1.00  0.00           O  
HETATM   64  C   UNL     1     -11.804  -0.479  -0.530  1.00  0.00           C  
HETATM   65  C   UNL     1     -12.707   0.414   0.323  1.00  0.00           C  
HETATM   66  C   UNL     1     -14.155   0.277  -0.152  1.00  0.00           C  
HETATM   67  C   UNL     1     -15.059   1.170   0.701  1.00  0.00           C  
HETATM   68  C   UNL     1     -16.506   1.032   0.225  1.00  0.00           C  
HETATM   69  S   UNL     1     -16.720   1.782  -1.440  1.00  0.00           S  
HETATM   70  C   UNL     1     -18.503   2.167  -1.209  1.00  0.00           C  
HETATM   71  C   UNL     1     -18.582   2.520   0.289  1.00  0.00           C  
HETATM   72  N   UNL     1     -18.365   3.966   0.458  1.00  0.00           N  
HETATM   73  C   UNL     1     -17.291   4.159   1.236  1.00  0.00           C  
HETATM   74  O   UNL     1     -16.882   5.263   1.539  1.00  0.00           O  
HETATM   75  N   UNL     1     -16.709   3.025   1.648  1.00  0.00           N  
HETATM   76  C   UNL     1     -17.452   1.874   1.105  1.00  0.00           C  
HETATM   77  H   UNL     1      19.067   4.350  -0.763  1.00  0.00           H  
HETATM   78  H   UNL     1      12.970  -0.511   0.343  1.00  0.00           H  
HETATM   79  H   UNL     1      12.600   1.070  -0.387  1.00  0.00           H  
HETATM   80  H   UNL     1      11.546   0.056   2.292  1.00  0.00           H  
HETATM   81  H   UNL     1      11.176   1.637   1.562  1.00  0.00           H  
HETATM   82  H   UNL     1       8.882   0.275   1.946  1.00  0.00           H  
HETATM   83  H   UNL     1      18.179   0.805   0.857  1.00  0.00           H  
HETATM   84  H   UNL     1      15.401   0.062   0.352  1.00  0.00           H  
HETATM   85  H   UNL     1      15.032   1.643  -0.379  1.00  0.00           H  
HETATM   86  H   UNL     1      13.608   2.210   1.570  1.00  0.00           H  
HETATM   87  H   UNL     1      13.977   0.629   2.301  1.00  0.00           H  
HETATM   88  H   UNL     1       5.543  -1.215  -0.547  1.00  0.00           H  
HETATM   89  H   UNL     1      16.392   1.253   2.339  1.00  0.00           H  
HETATM   90  H   UNL     1      18.147   3.814   2.775  1.00  0.00           H  
HETATM   91  H   UNL     1      18.011   4.985   1.423  1.00  0.00           H  
HETATM   92  H   UNL     1      19.462   2.673   1.174  1.00  0.00           H  
HETATM   93  H   UNL     1       0.826   0.118  -0.868  1.00  0.00           H  
HETATM   94  H   UNL     1      16.801   1.038  -1.327  1.00  0.00           H  
HETATM   95  H   UNL     1       8.129  -0.492  -0.770  1.00  0.00           H  
HETATM   96  H   UNL     1       7.834  -2.423   1.575  1.00  0.00           H  
HETATM   97  H   UNL     1       7.178  -2.669  -0.061  1.00  0.00           H  
HETATM   98  H   UNL     1       4.082  -0.200   1.646  1.00  0.00           H  
HETATM   99  H   UNL     1       4.229   1.088   0.426  1.00  0.00           H  
HETATM  100  H   UNL     1       1.866  -4.092   2.515  1.00  0.00           H  
HETATM  101  H   UNL     1       3.576  -2.098   2.256  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.011  -5.239   0.674  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.815  -1.779  -0.832  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.227  -4.131  -1.577  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.419  -5.652  -0.437  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.527   1.290  -1.445  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.690   3.181  -1.583  1.00  0.00           H  
HETATM  108  H   UNL     1       0.008   3.132  -1.988  1.00  0.00           H  
HETATM  109  H   UNL     1       2.549   3.126  -2.534  1.00  0.00           H  
HETATM  110  H   UNL     1       4.315   1.628  -1.459  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.011  -0.849  -3.093  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.016  -2.555  -2.585  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.387  -0.943  -0.296  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.833   0.113   0.108  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.947  -2.892   0.628  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.735  -1.769   1.291  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.613  -1.633  -1.410  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.874  -0.175  -1.574  1.00  0.00           H  
HETATM  119  H   UNL     1     -12.121  -1.517  -0.432  1.00  0.00           H  
HETATM  120  H   UNL     1     -12.637   0.110   1.367  1.00  0.00           H  
HETATM  121  H   UNL     1     -12.389   1.452   0.225  1.00  0.00           H  
HETATM  122  H   UNL     1     -14.225   0.581  -1.197  1.00  0.00           H  
HETATM  123  H   UNL     1     -14.473  -0.761  -0.054  1.00  0.00           H  
HETATM  124  H   UNL     1     -14.988   0.866   1.745  1.00  0.00           H  
HETATM  125  H   UNL     1     -14.741   2.208   0.602  1.00  0.00           H  
HETATM  126  H   UNL     1     -16.812  -0.014   0.220  1.00  0.00           H  
HETATM  127  H   UNL     1     -18.798   3.018  -1.823  1.00  0.00           H  
HETATM  128  H   UNL     1     -19.119   1.296  -1.436  1.00  0.00           H  
HETATM  129  H   UNL     1     -19.553   2.235   0.693  1.00  0.00           H  
HETATM  130  H   UNL     1     -18.911   4.667   0.068  1.00  0.00           H  
HETATM  131  H   UNL     1     -15.924   2.968   2.215  1.00  0.00           H  
HETATM  132  H   UNL     1     -17.862   1.272   1.916  1.00  0.00           H  
HETATM  133  H   UNL     1       3.175  -0.731  -2.352  1.00  0.00           H  
HETATM  134  H   UNL     1       1.108   1.022  -3.616  1.00  0.00           H  
HETATM  135  H   UNL     1      10.239  -4.904   0.015  1.00  0.00           H  
HETATM  136  H   UNL     1      -9.082  -2.370   4.208  1.00  0.00           H  
CONECT    1   16   21   77                                            
CONECT    2    3   10   78   79                                       
CONECT    3    5    2   80   81                                       
CONECT    4   23    5   82                                            
CONECT    5   18   18    4    3                                       
CONECT    6   25   25                                                 
CONECT    7   12   16   19   83                                       
CONECT    8   59  136                                                 
CONECT    9   10   12   84   85                                       
CONECT   10    2    9   86   87                                       
CONECT   11   29   27   88                                            
CONECT   12   20    7    9   89                                       
CONECT   13   59   59                                                 
CONECT   14   16   20   90   91                                       
CONECT   15   25   25                                                 
CONECT   16   14    7    1   92                                       
CONECT   17   49   52   93                                            
CONECT   18    5    5                                                 
CONECT   19    7   21   94                                            
CONECT   20   14   12                                                 
CONECT   21    1   19   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   27   24    4   95                                       
CONECT   24   25   23   96   97                                       
CONECT   25   15   15    6    6                                       
CONECT   25   26   24                                                 
CONECT   26   25  135                                                 
CONECT   27   11   28   28   23                                       
CONECT   28   27   27                                                 
CONECT   29   30   11   98   99                                       
CONECT   30   52   31   31   29                                       
CONECT   31   32   30   30   35                                       
CONECT   32   33   33   31                                            
CONECT   33   36   32   32   34                                       
CONECT   34   33   35   35  100                                       
CONECT   35   31   34   34  101                                       
CONECT   36   37   37   33  102                                       
CONECT   37   41   38   36   36                                       
CONECT   38   39   37  103                                            
CONECT   39   42   42   40   38                                       
CONECT   40   39   41   41  104                                       
CONECT   41   40   40   37  105                                       
CONECT   42   53   43   39   39                                       
CONECT   43   44   42   46   46                                       
CONECT   44   45   45   43  106                                       
CONECT   45   44   44   47  107                                       
CONECT   46   43   43   47                                            
CONECT   47   45   46   48   48                                       
CONECT   48   47   47   49  108                                       
CONECT   49   48   17   50  134                                       
CONECT   50   49   51   51  109                                       
CONECT   51   50   50   52  110                                       
CONECT   52   17   51   30  133                                       
CONECT   53   54   42  111  112                                       
CONECT   54   55   53  113                                            
CONECT   55   56   56   57   54                                       
CONECT   56   55   55                                                 
CONECT   57   61   58   55  114                                       
CONECT   58   57   59  115  116                                       
CONECT   59   13   13   58    8                                       
CONECT   59   60   60                                                 
CONECT   60   59   59                                                 
CONECT   61   62   57  117                                            
CONECT   62   64   61   63   63                                       
CONECT   63   62   62                                                 
CONECT   64   65   62  118  119                                       
CONECT   65   64   66  120  121                                       
CONECT   66   67   65  122  123                                       
CONECT   67   68   66  124  125                                       
CONECT   68   67   76   69  126                                       
CONECT   69   68   70                                                 
CONECT   70   69   71  127  128                                       
CONECT   71   72   76   70  129                                       
CONECT   72   73   71  130                                            
CONECT   73   74   74   75   72                                       
CONECT   74   73   73                                                 
CONECT   75   73   76  131                                            
CONECT   76   75   71   68  132                                       
CONECT   77    1                                                      
CONECT   78    2                                                      
CONECT   79    2                                                      
CONECT   80    3                                                      
CONECT   81    3                                                      
CONECT   82    4                                                      
CONECT   83    7                                                      
CONECT   84    9                                                      
CONECT   85    9                                                      
CONECT   86   10                                                      
CONECT   87   10                                                      
CONECT   88   11                                                      
CONECT   89   12                                                      
CONECT   90   14                                                      
CONECT   91   14                                                      
CONECT   92   16                                                      
CONECT   93   17                                                      
CONECT   94   19                                                      
CONECT   95   23                                                      
CONECT   96   24                                                      
CONECT   97   24                                                      
CONECT   98   29                                                      
CONECT   99   29                                                      
CONECT  100   34                                                      
CONECT  101   35                                                      
CONECT  102   36                                                      
CONECT  103   38                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   44                                                      
CONECT  107   45                                                      
CONECT  108   48                                                      
CONECT  109   50                                                      
CONECT  110   51                                                      
CONECT  111   53                                                      
CONECT  112   53                                                      
CONECT  113   54                                                      
CONECT  114   57                                                      
CONECT  115   58                                                      
CONECT  116   58                                                      
CONECT  117   61                                                      
CONECT  118   64                                                      
CONECT  119   64                                                      
CONECT  120   65                                                      
CONECT  121   65                                                      
CONECT  122   66                                                      
CONECT  123   66                                                      
CONECT  124   67                                                      
CONECT  125   67                                                      
CONECT  126   68                                                      
CONECT  127   70                                                      
CONECT  128   70                                                      
CONECT  129   71                                                      
CONECT  130   72                                                      
CONECT  131   75                                                      
CONECT  132   76                                                      
CONECT  133   52                                                      
CONECT  134   49                                                      
CONECT  135   26                                                      
CONECT  136    8                                                      
MASTER        0    0    0    0    0    0    0    0  136    0  136    0
END
