COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   0      17.922   4.485   0.357  1.00  0.00           O  
HETATM    2  C   UNK A   1       9.715  -2.710  -0.151  1.00  0.00           C  
HETATM    3  C   UNK A   1      12.087  -2.271  -0.497  1.00  0.00           C  
HETATM    4  O   UNK A   1      18.554  -1.006  -3.282  1.00  0.00           O  
HETATM    5  C   UNK A   1      13.132  -2.467  -1.597  1.00  0.00           C  
HETATM    6  N   UNK A   1      10.792  -2.778  -0.958  1.00  0.00           N  
HETATM    7  C   UNK A   1      14.484  -1.938  -1.115  1.00  0.00           C  
HETATM    8  C   UNK A   1      15.530  -2.133  -2.215  1.00  0.00           C  
HETATM    9  N   UNK A   1      16.797  -0.156  -1.533  1.00  0.00           N  
HETATM   10  C   UNK A   1      16.882  -1.605  -1.733  1.00  0.00           C  
HETATM   11  O   UNK A   1      18.191  -3.179  -3.113  1.00  0.00           O  
HETATM   12  C   UNK A   0      17.633   0.456  -0.670  1.00  0.00           C  
HETATM   13  O   UNK A   1      -2.683  -4.753   2.654  1.00  0.00           O  
HETATM   14  C   UNK A   0      17.545   1.946  -0.464  1.00  0.00           C  
HETATM   15  C   UNK A   0      18.660   3.663   0.858  1.00  0.00           C  
HETATM   16  N   UNK A   0      18.552   2.364   0.514  1.00  0.00           N  
HETATM   17  C   UNK A   0      19.696   4.093   1.864  1.00  0.00           C  
HETATM   18  O   UNK A   1      -3.642  -6.176  -0.425  1.00  0.00           O  
HETATM   19  C   UNK A   0      19.608   5.583   2.070  1.00  0.00           C  
HETATM   20  O   UNK A   1      -7.074  -3.792  -0.165  1.00  0.00           O  
HETATM   21  C   UNK A   0      18.779   6.097   3.049  1.00  0.00           C  
HETATM   22  N   UNK A   1      -1.516  -5.128   0.805  1.00  0.00           N  
HETATM   23  O   UNK A   1     -15.177   1.564   4.225  1.00  0.00           O  
HETATM   24  P   UNK A   1     -15.083   1.366   2.630  1.00  0.00           P  
HETATM   25  O   UNK A   1     -15.041  -0.206   2.286  1.00  0.00           O  
HETATM   26  O   UNK A   1     -16.265   1.980   1.986  1.00  0.00           O  
HETATM   27  O   UNK A   1     -13.744   2.071   2.080  1.00  0.00           O  
HETATM   28  C   UNK A   1     -13.427   2.161   0.689  1.00  0.00           C  
HETATM   29  C   UNK A   1     -13.217   3.635   0.275  1.00  0.00           C  
HETATM   30  O   UNK A   1     -13.399   4.500   1.398  1.00  0.00           O  
HETATM   31  C   UNK A   1     -11.753   3.683  -0.214  1.00  0.00           C  
HETATM   32  N   UNK A   1     -11.628   4.585  -1.361  1.00  0.00           N  
HETATM   33  C   UNK A   1     -11.665   4.228  -2.676  1.00  0.00           C  
HETATM   34  N   UNK A   1     -11.524   5.282  -3.427  1.00  0.00           N  
HETATM   35  C   UNK A   1     -11.387   6.379  -2.644  1.00  0.00           C  
HETATM   36  C   UNK A   1     -11.208   7.751  -2.887  1.00  0.00           C  
HETATM   37  N   UNK A   1     -11.137   8.237  -4.181  1.00  0.00           N  
HETATM   38  N   UNK A   1     -11.109   8.571  -1.846  1.00  0.00           N  
HETATM   39  C   UNK A   1     -11.177   8.117  -0.609  1.00  0.00           C  
HETATM   40  N   UNK A   1     -11.344   6.840  -0.333  1.00  0.00           N  
HETATM   41  C   UNK A   1     -11.458   5.946  -1.309  1.00  0.00           C  
HETATM   42  O   UNK A   1     -11.450   2.326  -0.606  1.00  0.00           O  
HETATM   43  C   UNK A   1     -12.066   1.490   0.401  1.00  0.00           C  
HETATM   44  C   UNK A   1     -12.274   0.072  -0.135  1.00  0.00           C  
HETATM   45  O   UNK A   1     -11.007  -0.572  -0.285  1.00  0.00           O  
HETATM   46  P   UNK A   1     -10.847  -2.079  -0.828  1.00  0.00           P  
HETATM   47  O   UNK A   1     -11.343  -2.153  -2.358  1.00  0.00           O  
HETATM   48  O   UNK A   1     -11.667  -2.991   0.001  1.00  0.00           O  
HETATM   49  O   UNK A   1      -9.301  -2.519  -0.743  1.00  0.00           O  
HETATM   50  P   UNK A   1      -8.535  -3.933  -0.829  1.00  0.00           P  
HETATM   51  O   UNK A   1      -8.384  -4.369  -2.371  1.00  0.00           O  
HETATM   52  O   UNK A   1      -9.311  -4.960  -0.099  1.00  0.00           O  
HETATM   53  C   UNK A   1      -6.188  -4.899   0.007  1.00  0.00           C  
HETATM   54  C   UNK A   1      -4.893  -4.418   0.664  1.00  0.00           C  
HETATM   55  C   UNK A   1      -4.228  -3.367  -0.227  1.00  0.00           C  
HETATM   56  C   UNK A   1      -5.211  -3.802   2.029  1.00  0.00           C  
HETATM   57  C   UNK A   1      -3.944  -5.604   0.849  1.00  0.00           C  
HETATM   58  C   UNK A   1      -2.670  -5.131   1.502  1.00  0.00           C  
HETATM   59  C   UNK A   1      -0.299  -4.577   1.406  1.00  0.00           C  
HETATM   60  C   UNK A   1       0.858  -4.695   0.412  1.00  0.00           C  
HETATM   61  C   UNK A   1       2.111  -4.128   1.030  1.00  0.00           C  
HETATM   62  O   UNK A   1       2.080  -3.675   2.154  1.00  0.00           O  
HETATM   63  N   UNK A   1       3.264  -4.125   0.333  1.00  0.00           N  
HETATM   64  C   UNK A   1       4.482  -3.575   0.933  1.00  0.00           C  
HETATM   65  C   UNK A   1       5.639  -3.692  -0.060  1.00  0.00           C  
HETATM   66  S   UNK A   1       7.146  -3.010   0.683  1.00  0.00           S  
HETATM   67  C   UNK A   1       8.384  -3.236  -0.623  1.00  0.00           C  
HETATM   68  O   UNK A   1       9.818  -2.229   0.958  1.00  0.00           O  
HETATM   69  C   UNK A   1      17.937  -1.907  -2.766  1.00  0.00           C  
HETATM   70  O   UNK A   0      18.456  -0.193  -0.060  1.00  0.00           O  
HETATM   71  C   UNK A   0      20.361   6.435   1.284  1.00  0.00           C  
HETATM   72  C   UNK A   0      20.281   7.802   1.473  1.00  0.00           C  
HETATM   73  C   UNK A   0      19.447   8.317   2.448  1.00  0.00           C  
HETATM   74  C   UNK A   0      18.698   7.464   3.238  1.00  0.00           C  
HETATM   75  H   UNK A   1      12.392  -2.816   0.396  1.00  0.00           H  
HETATM   76  H   UNK A   1      11.999  -1.210  -0.263  1.00  0.00           H  
HETATM   77  H   UNK A   1      13.219  -3.528  -1.831  1.00  0.00           H  
HETATM   78  H   UNK A   1      12.826  -1.922  -2.490  1.00  0.00           H  
HETATM   79  H   UNK A   1      10.709  -3.162  -1.845  1.00  0.00           H  
HETATM   80  H   UNK A   1      14.397  -0.877  -0.881  1.00  0.00           H  
HETATM   81  H   UNK A   1      14.790  -2.483  -0.222  1.00  0.00           H  
HETATM   82  H   UNK A   1      15.617  -3.194  -2.449  1.00  0.00           H  
HETATM   83  H   UNK A   1      15.224  -1.588  -3.108  1.00  0.00           H  
HETATM   84  H   UNK A   1      16.138   0.363  -2.020  1.00  0.00           H  
HETATM   85  H   UNK A   1      17.146  -2.087  -0.792  1.00  0.00           H  
HETATM   86  H   UNK A   1      18.876  -3.324  -3.780  1.00  0.00           H  
HETATM   87  H   UNK A   0      17.725   2.455  -1.411  1.00  0.00           H  
HETATM   88  H   UNK A   0      16.552   2.204  -0.096  1.00  0.00           H  
HETATM   89  H   UNK A   0      19.142   1.706   0.914  1.00  0.00           H  
HETATM   90  H   UNK A   0      19.516   3.583   2.811  1.00  0.00           H  
HETATM   91  H   UNK A   0      20.689   3.835   1.496  1.00  0.00           H  
HETATM   92  H   UNK A   1      -3.216  -5.563  -1.040  1.00  0.00           H  
HETATM   93  H   UNK A   0      18.194   5.431   3.666  1.00  0.00           H  
HETATM   94  H   UNK A   1      -1.492  -5.491  -0.094  1.00  0.00           H  
HETATM   95  H   UNK A   1     -15.961   1.163   4.625  1.00  0.00           H  
HETATM   96  H   UNK A   1     -14.290  -0.675   2.676  1.00  0.00           H  
HETATM   97  H   UNK A   1     -14.213   1.703   0.089  1.00  0.00           H  
HETATM   98  H   UNK A   1     -13.899   3.905  -0.531  1.00  0.00           H  
HETATM   99  H   UNK A   1     -13.280   5.438   1.194  1.00  0.00           H  
HETATM  100  H   UNK A   1     -11.094   4.002   0.593  1.00  0.00           H  
HETATM  101  H   UNK A   1     -11.793   3.220  -3.041  1.00  0.00           H  
HETATM  102  H   UNK A   1     -11.210   7.628  -4.933  1.00  0.00           H  
HETATM  103  H   UNK A   1     -11.013   9.186  -4.337  1.00  0.00           H  
HETATM  104  H   UNK A   1     -11.091   8.818   0.208  1.00  0.00           H  
HETATM  105  H   UNK A   1     -11.454   1.469   1.303  1.00  0.00           H  
HETATM  106  H   UNK A   1     -12.888  -0.495   0.565  1.00  0.00           H  
HETATM  107  H   UNK A   1     -12.774   0.118  -1.102  1.00  0.00           H  
HETATM  108  H   UNK A   1     -10.850  -1.579  -2.960  1.00  0.00           H  
HETATM  109  H   UNK A   1      -7.884  -3.741  -2.910  1.00  0.00           H  
HETATM  110  H   UNK A   1      -6.661  -5.648   0.643  1.00  0.00           H  
HETATM  111  H   UNK A   1      -5.961  -5.338  -0.964  1.00  0.00           H  
HETATM  112  H   UNK A   1      -4.904  -2.522  -0.359  1.00  0.00           H  
HETATM  113  H   UNK A   1      -3.306  -3.024   0.241  1.00  0.00           H  
HETATM  114  H   UNK A   1      -4.001  -3.806  -1.199  1.00  0.00           H  
HETATM  115  H   UNK A   1      -5.564  -4.580   2.705  1.00  0.00           H  
HETATM  116  H   UNK A   1      -4.311  -3.344   2.439  1.00  0.00           H  
HETATM  117  H   UNK A   1      -5.984  -3.043   1.913  1.00  0.00           H  
HETATM  118  H   UNK A   1      -4.418  -6.354   1.481  1.00  0.00           H  
HETATM  119  H   UNK A   1      -0.459  -3.528   1.654  1.00  0.00           H  
HETATM  120  H   UNK A   1      -0.058  -5.133   2.312  1.00  0.00           H  
HETATM  121  H   UNK A   1       1.018  -5.744   0.163  1.00  0.00           H  
HETATM  122  H   UNK A   1       0.617  -4.140  -0.494  1.00  0.00           H  
HETATM  123  H   UNK A   1       3.288  -4.488  -0.567  1.00  0.00           H  
HETATM  124  H   UNK A   1       4.321  -2.526   1.182  1.00  0.00           H  
HETATM  125  H   UNK A   1       4.723  -4.130   1.840  1.00  0.00           H  
HETATM  126  H   UNK A   1       5.799  -4.741  -0.309  1.00  0.00           H  
HETATM  127  H   UNK A   1       5.398  -3.137  -0.966  1.00  0.00           H  
HETATM  128  H   UNK A   1       8.074  -2.692  -1.515  1.00  0.00           H  
HETATM  129  H   UNK A   1       8.476  -4.297  -0.858  1.00  0.00           H  
HETATM  130  H   UNK A   0      21.012   6.033   0.522  1.00  0.00           H  
HETATM  131  H   UNK A   0      20.866   8.468   0.857  1.00  0.00           H  
HETATM  132  H   UNK A   0      19.384   9.385   2.596  1.00  0.00           H  
HETATM  133  H   UNK A   0      18.047   7.867   4.000  1.00  0.00           H  
CONECT    1   15   15                                                 
CONECT    2   67    6   68   68                                       
CONECT    3    6    5   75   76                                       
CONECT    4   69   69                                                 
CONECT    5    7    3   77   78                                       
CONECT    6    2    3   79                                            
CONECT    7    8    5   80   81                                       
CONECT    8    7   10   82   83                                       
CONECT    9   10   12   84                                            
CONECT   10    9    8   69   85                                       
CONECT   11   69   86                                                 
CONECT   12    9   14   70   70                                       
CONECT   13   58   58                                                 
CONECT   14   16   12   87   88                                       
CONECT   15   17   16    1    1                                       
CONECT   16   15   14   89                                            
CONECT   17   19   15   90   91                                       
CONECT   18   57   92                                                 
CONECT   19   71   71   21   17                                       
CONECT   20   53   50                                                 
CONECT   21   74   74   19   93                                       
CONECT   22   58   59   94                                            
CONECT   23   24   95                                                 
CONECT   24   26   26   27   23                                       
CONECT   24   25                                                      
CONECT   25   24   96                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   43   29   97                                       
CONECT   29   30   28   31   98                                       
CONECT   30   29   99                                                 
CONECT   31   29   42   32  100                                       
CONECT   32   31   33   41                                            
CONECT   33   32   34   34  101                                       
CONECT   34   33   33   35                                            
CONECT   35   41   34   36   36                                       
CONECT   36   35   35   38   37                                       
CONECT   37   36  102  103                                            
CONECT   38   39   39   36                                            
CONECT   39   40   38   38  104                                       
CONECT   40   41   41   39                                            
CONECT   41   32   40   40   35                                       
CONECT   42   43   31                                                 
CONECT   43   28   42   44  105                                       
CONECT   44   43   45  106  107                                       
CONECT   45   44   46                                                 
CONECT   46   48   48   45   49                                       
CONECT   46   47                                                      
CONECT   47   46  108                                                 
CONECT   48   46   46                                                 
CONECT   49   46   50                                                 
CONECT   50   49   20   52   52                                       
CONECT   50   51                                                      
CONECT   51   50  109                                                 
CONECT   52   50   50                                                 
CONECT   53   20   54  110  111                                       
CONECT   54   53   56   55   57                                       
CONECT   55   54  112  113  114                                       
CONECT   56   54  115  116  117                                       
CONECT   57   54   18   58  118                                       
CONECT   58   57   13   13   22                                       
CONECT   59   60   22  119  120                                       
CONECT   60   61   59  121  122                                       
CONECT   61   63   62   62   60                                       
CONECT   62   61   61                                                 
CONECT   63   64   61  123                                            
CONECT   64   65   63  124  125                                       
CONECT   65   66   64  126  127                                       
CONECT   66   67   65                                                 
CONECT   67    2   66  128  129                                       
CONECT   68    2    2                                                 
CONECT   69    4    4   10   11                                       
CONECT   70   12   12                                                 
CONECT   71   72   19   19  130                                       
CONECT   72   73   73   71  131                                       
CONECT   73   72   72   74  132                                       
CONECT   74   73   21   21  133                                       
CONECT   75    3                                                      
CONECT   76    3                                                      
CONECT   77    5                                                      
CONECT   78    5                                                      
CONECT   79    6                                                      
CONECT   80    7                                                      
CONECT   81    7                                                      
CONECT   82    8                                                      
CONECT   83    8                                                      
CONECT   84    9                                                      
CONECT   85   10                                                      
CONECT   86   11                                                      
CONECT   87   14                                                      
CONECT   88   14                                                      
CONECT   89   16                                                      
CONECT   90   17                                                      
CONECT   91   17                                                      
CONECT   92   18                                                      
CONECT   93   21                                                      
CONECT   94   22                                                      
CONECT   95   23                                                      
CONECT   96   25                                                      
CONECT   97   28                                                      
CONECT   98   29                                                      
CONECT   99   30                                                      
CONECT  100   31                                                      
CONECT  101   33                                                      
CONECT  102   37                                                      
CONECT  103   37                                                      
CONECT  104   39                                                      
CONECT  105   43                                                      
CONECT  106   44                                                      
CONECT  107   44                                                      
CONECT  108   47                                                      
CONECT  109   51                                                      
CONECT  110   53                                                      
CONECT  111   53                                                      
CONECT  112   55                                                      
CONECT  113   55                                                      
CONECT  114   55                                                      
CONECT  115   56                                                      
CONECT  116   56                                                      
CONECT  117   56                                                      
CONECT  118   57                                                      
CONECT  119   59                                                      
CONECT  120   59                                                      
CONECT  121   60                                                      
CONECT  122   60                                                      
CONECT  123   63                                                      
CONECT  124   64                                                      
CONECT  125   64                                                      
CONECT  126   65                                                      
CONECT  127   65                                                      
CONECT  128   67                                                      
CONECT  129   67                                                      
CONECT  130   71                                                      
CONECT  131   72                                                      
CONECT  132   73                                                      
CONECT  133   74                                                      
MASTER        0    0    0    0    0    0    0    0  133    0  133    0
END
