COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      53.382 -29.515  -8.074  1.00  0.00           C  
HETATM    2  C   UNL     1      53.433 -29.929  -9.493  1.00  0.00           C  
HETATM    3  C   UNL     1      54.262 -30.127  -7.117  1.00  0.00           C  
HETATM    4  N   UNL     1      53.299 -29.137 -10.558  1.00  0.00           N  
HETATM    5  C   UNL     1      53.372 -29.897 -11.757  1.00  0.00           C  
HETATM    6  C   UNL     1      53.232 -29.299 -13.075  1.00  0.00           C  
HETATM    7  O   UNL     1      53.059 -29.970 -14.104  1.00  0.00           O  
HETATM    8  C   UNL     1      53.562 -31.241 -11.542  1.00  0.00           C  
HETATM    9  S   UNL     1      53.643 -31.591  -9.870  1.00  0.00           S  
HETATM   10  N   UNL     1      53.269 -27.976 -13.083  1.00  0.00           N  
HETATM   11  C   UNL     1      53.119 -27.099 -14.246  1.00  0.00           C  
HETATM   12  C   UNL     1      54.339 -26.237 -14.506  1.00  0.00           C  
HETATM   13  C   UNL     1      51.912 -26.151 -14.115  1.00  0.00           C  
HETATM   14  C   UNL     1      51.879 -25.230 -12.866  1.00  0.00           C  
HETATM   15  O   UNL     1      52.695 -25.401 -11.964  1.00  0.00           O  
HETATM   16  N   UNL     1      50.954 -24.263 -12.802  1.00  0.00           N  
HETATM   17  C   UNL     1      50.750 -23.291 -11.718  1.00  0.00           C  
HETATM   18  N   UNL     1      54.332 -25.201 -15.359  1.00  0.00           N  
HETATM   19  C   UNL     1      55.561 -24.509 -15.452  1.00  0.00           C  
HETATM   20  C   UNL     1      55.652 -23.292 -16.390  1.00  0.00           C  
HETATM   21  O   UNL     1      56.640 -22.564 -16.502  1.00  0.00           O  
HETATM   22  C   UNL     1      56.534 -25.059 -14.620  1.00  0.00           C  
HETATM   23  S   UNL     1      55.885 -26.454 -13.734  1.00  0.00           S  
HETATM   24  C   UNL     1      57.978 -24.659 -14.379  1.00  0.00           C  
HETATM   25  N   UNL     1      54.492 -23.068 -17.102  1.00  0.00           N  
HETATM   26  C   UNL     1      54.147 -22.057 -18.064  1.00  0.00           C  
HETATM   27  C   UNL     1      52.675 -21.776 -17.842  1.00  0.00           C  
HETATM   28  C   UNL     1      54.450 -22.512 -19.565  1.00  0.00           C  
HETATM   29  C   UNL     1      54.067 -21.452 -20.622  1.00  0.00           C  
HETATM   30  C   UNL     1      55.935 -22.807 -19.817  1.00  0.00           C  
HETATM   31  N   UNL     1      51.738 -22.717 -17.790  1.00  0.00           N  
HETATM   32  C   UNL     1      50.446 -22.256 -17.562  1.00  0.00           C  
HETATM   33  C   UNL     1      49.274 -23.156 -17.460  1.00  0.00           C  
HETATM   34  O   UNL     1      48.076 -22.836 -17.539  1.00  0.00           O  
HETATM   35  C   UNL     1      50.367 -20.885 -17.425  1.00  0.00           C  
HETATM   36  S   UNL     1      51.956 -20.158 -17.604  1.00  0.00           S  
HETATM   37  C   UNL     1      49.150 -20.090 -17.158  1.00  0.00           C  
HETATM   38  O   UNL     1      49.438 -18.716 -17.057  1.00  0.00           O  
HETATM   39  C   UNL     1      48.170 -18.017 -16.776  1.00  0.00           C  
HETATM   40  N   UNL     1      49.694 -24.405 -17.249  1.00  0.00           N  
HETATM   41  C   UNL     1      48.814 -25.560 -17.078  1.00  0.00           C  
HETATM   42  C   UNL     1      48.328 -25.532 -15.648  1.00  0.00           C  
HETATM   43  O   UNL     1      48.579 -24.613 -14.855  1.00  0.00           O  
HETATM   44  N   UNL     1      47.612 -26.548 -15.258  1.00  0.00           N  
HETATM   45  C   UNL     1      47.071 -26.703 -13.942  1.00  0.00           C  
HETATM   46  C   UNL     1      48.068 -27.483 -13.097  1.00  0.00           C  
HETATM   47  C   UNL     1      45.639 -27.328 -14.014  1.00  0.00           C  
HETATM   48  O   UNL     1      45.320 -27.975 -12.792  1.00  0.00           O  
HETATM   49  C   UNL     1      44.558 -26.323 -14.303  1.00  0.00           C  
HETATM   50  C   UNL     1      43.534 -26.622 -15.277  1.00  0.00           C  
HETATM   51  C   UNL     1      42.517 -25.663 -15.548  1.00  0.00           C  
HETATM   52  C   UNL     1      42.509 -24.412 -14.859  1.00  0.00           C  
HETATM   53  C   UNL     1      43.516 -24.103 -13.889  1.00  0.00           C  
HETATM   54  C   UNL     1      44.536 -25.050 -13.610  1.00  0.00           C  
HETATM   55  N   UNL     1      48.651 -27.011 -12.027  1.00  0.00           N  
HETATM   56  C   UNL     1      49.493 -27.933 -11.416  1.00  0.00           C  
HETATM   57  C   UNL     1      50.168 -27.544 -10.237  1.00  0.00           C  
HETATM   58  C   UNL     1      49.561 -29.144 -12.041  1.00  0.00           C  
HETATM   59  S   UNL     1      48.546 -29.162 -13.452  1.00  0.00           S  
HETATM   60  N   UNL     1      50.971 -28.353  -9.567  1.00  0.00           N  
HETATM   61  C   UNL     1      51.522 -27.768  -8.447  1.00  0.00           C  
HETATM   62  C   UNL     1      52.475 -28.506  -7.579  1.00  0.00           C  
HETATM   63  C   UNL     1      51.109 -26.463  -8.282  1.00  0.00           C  
HETATM   64  S   UNL     1      50.017 -25.961  -9.536  1.00  0.00           S  
HETATM   65  N   UNL     1      52.442 -28.147  -6.302  1.00  0.00           N  
HETATM   66  C   UNL     1      53.251 -28.681  -5.362  1.00  0.00           C  
HETATM   67  C   UNL     1      53.185 -28.217  -3.978  1.00  0.00           C  
HETATM   68  C   UNL     1      54.204 -29.708  -5.748  1.00  0.00           C  
HETATM   69  N   UNL     1      53.963 -28.651  -3.018  1.00  0.00           N  
HETATM   70  O   UNL     1      54.387 -26.229   0.544  1.00  0.00           O  
HETATM   71  O   UNL     1      55.601 -28.036   1.353  1.00  0.00           O  
HETATM   72  C   UNL     1      53.725 -28.038  -1.804  1.00  0.00           C  
HETATM   73  C   UNL     1      52.715 -27.114  -1.887  1.00  0.00           C  
HETATM   74  S   UNL     1      52.039 -26.982  -3.486  1.00  0.00           S  
HETATM   75  O   UNL     1      58.263 -26.220   6.527  1.00  0.00           O  
HETATM   76  O   UNL     1      56.714 -24.760   7.305  1.00  0.00           O  
HETATM   77  O   UNL     1      58.237 -33.946  -1.121  1.00  0.00           O  
HETATM   78  N   UNL     1      54.490 -28.364  -0.638  1.00  0.00           N  
HETATM   79  O   UNL     1      60.213 -33.057  -1.705  1.00  0.00           O  
HETATM   80  C   UNL     1      54.763 -27.406   0.430  1.00  0.00           C  
HETATM   81  C   UNL     1      54.973 -29.812  -0.606  1.00  0.00           C  
HETATM   82  C   UNL     1      56.442 -29.933  -0.986  1.00  0.00           C  
HETATM   83  C   UNL     1      56.934 -31.373  -0.978  1.00  0.00           C  
HETATM   84  C   UNL     1      57.317 -25.599   3.797  1.00  0.00           C  
HETATM   85  C   UNL     1      56.728 -26.025   2.438  1.00  0.00           C  
HETATM   86  C   UNL     1      56.150 -27.470   2.558  1.00  0.00           C  
HETATM   87  C   UNL     1      55.066 -27.529   3.666  1.00  0.00           C  
HETATM   88  C   UNL     1      55.657 -27.144   5.048  1.00  0.00           C  
HETATM   89  C   UNL     1      56.390 -25.745   5.095  1.00  0.00           C  
HETATM   90  C   UNL     1      57.218 -25.600   6.378  1.00  0.00           C  
HETATM   91  C   UNL     1      58.423 -31.508  -1.360  1.00  0.00           C  
HETATM   92  C   UNL     1      58.915 -32.966  -1.373  1.00  0.00           C  
HETATM   93  H   UNL     1      54.137 -28.740  -8.273  1.00  0.00           H  
HETATM   94  H   UNL     1      54.053 -31.207  -7.132  1.00  0.00           H  
HETATM   95  H   UNL     1      55.290 -29.948  -7.465  1.00  0.00           H  
HETATM   96  H   UNL     1      54.031 -28.456 -10.555  1.00  0.00           H  
HETATM   97  H   UNL     1      53.649 -31.979 -12.326  1.00  0.00           H  
HETATM   98  H   UNL     1      53.415 -27.528 -12.201  1.00  0.00           H  
HETATM   99  H   UNL     1      52.954 -27.725 -15.135  1.00  0.00           H  
HETATM  100  H   UNL     1      51.898 -25.505 -15.005  1.00  0.00           H  
HETATM  101  H   UNL     1      51.003 -26.770 -14.096  1.00  0.00           H  
HETATM  102  H   UNL     1      50.331 -24.194 -13.581  1.00  0.00           H  
HETATM  103  H   UNL     1      49.907 -22.631 -11.971  1.00  0.00           H  
HETATM  104  H   UNL     1      50.529 -23.826 -10.783  1.00  0.00           H  
HETATM  105  H   UNL     1      51.662 -22.689 -11.589  1.00  0.00           H  
HETATM  106  H   UNL     1      53.631 -24.554 -15.058  1.00  0.00           H  
HETATM  107  H   UNL     1      58.430 -25.341 -13.643  1.00  0.00           H  
HETATM  108  H   UNL     1      58.537 -24.717 -15.325  1.00  0.00           H  
HETATM  109  H   UNL     1      58.014 -23.629 -13.995  1.00  0.00           H  
HETATM  110  H   UNL     1      53.762 -23.725 -16.916  1.00  0.00           H  
HETATM  111  H   UNL     1      54.720 -21.139 -17.866  1.00  0.00           H  
HETATM  112  H   UNL     1      53.872 -23.427 -19.763  1.00  0.00           H  
HETATM  113  H   UNL     1      54.303 -21.833 -21.627  1.00  0.00           H  
HETATM  114  H   UNL     1      52.990 -21.239 -20.554  1.00  0.00           H  
HETATM  115  H   UNL     1      54.635 -20.528 -20.438  1.00  0.00           H  
HETATM  116  H   UNL     1      56.076 -23.114 -20.864  1.00  0.00           H  
HETATM  117  H   UNL     1      56.528 -21.902 -19.617  1.00  0.00           H  
HETATM  118  H   UNL     1      56.266 -23.617 -19.150  1.00  0.00           H  
HETATM  119  H   UNL     1      51.975 -23.349 -17.052  1.00  0.00           H  
HETATM  120  H   UNL     1      48.435 -20.245 -17.980  1.00  0.00           H  
HETATM  121  H   UNL     1      48.702 -20.431 -16.213  1.00  0.00           H  
HETATM  122  H   UNL     1      48.358 -16.937 -16.690  1.00  0.00           H  
HETATM  123  H   UNL     1      47.460 -18.202 -17.596  1.00  0.00           H  
HETATM  124  H   UNL     1      47.746 -18.391 -15.832  1.00  0.00           H  
HETATM  125  H   UNL     1      50.681 -24.562 -17.205  1.00  0.00           H  
HETATM  126  H   UNL     1      47.961 -25.491 -17.769  1.00  0.00           H  
HETATM  127  H   UNL     1      49.369 -26.490 -17.271  1.00  0.00           H  
HETATM  128  H   UNL     1      47.427 -27.270 -15.925  1.00  0.00           H  
HETATM  129  H   UNL     1      46.963 -25.707 -13.488  1.00  0.00           H  
HETATM  130  H   UNL     1      45.644 -28.069 -14.827  1.00  0.00           H  
HETATM  131  H   UNL     1      44.449 -28.350 -12.849  1.00  0.00           H  
HETATM  132  H   UNL     1      43.540 -27.568 -15.797  1.00  0.00           H  
HETATM  133  H   UNL     1      45.298 -24.821 -12.879  1.00  0.00           H  
HETATM  134  H   UNL     1      41.750 -25.882 -16.276  1.00  0.00           H  
HETATM  135  H   UNL     1      41.734 -23.690 -15.072  1.00  0.00           H  
HETATM  136  H   UNL     1      43.500 -23.155 -13.373  1.00  0.00           H  
HETATM  137  H   UNL     1      47.945 -26.741 -11.372  1.00  0.00           H  
HETATM  138  H   UNL     1      50.162 -29.976 -11.705  1.00  0.00           H  
HETATM  139  H   UNL     1      51.713 -28.638 -10.174  1.00  0.00           H  
HETATM  140  H   UNL     1      51.427 -25.828  -7.469  1.00  0.00           H  
HETATM  141  H   UNL     1      55.204 -29.335  -5.483  1.00  0.00           H  
HETATM  142  H   UNL     1      53.975 -30.601  -5.148  1.00  0.00           H  
HETATM  143  H   UNL     1      54.913 -28.481  -3.278  1.00  0.00           H  
HETATM  144  H   UNL     1      52.374 -26.528  -1.046  1.00  0.00           H  
HETATM  145  H   UNL     1      57.291 -24.738   8.060  1.00  0.00           H  
HETATM  146  H   UNL     1      58.769 -34.729  -1.200  1.00  0.00           H  
HETATM  147  H   UNL     1      54.835 -30.210   0.410  1.00  0.00           H  
HETATM  148  H   UNL     1      54.373 -30.402  -1.315  1.00  0.00           H  
HETATM  149  H   UNL     1      56.579 -29.520  -1.996  1.00  0.00           H  
HETATM  150  H   UNL     1      57.040 -29.353  -0.268  1.00  0.00           H  
HETATM  151  H   UNL     1      56.793 -31.785   0.032  1.00  0.00           H  
HETATM  152  H   UNL     1      56.335 -31.951  -1.697  1.00  0.00           H  
HETATM  153  H   UNL     1      57.599 -24.539   3.714  1.00  0.00           H  
HETATM  154  H   UNL     1      58.218 -26.206   3.968  1.00  0.00           H  
HETATM  155  H   UNL     1      55.925 -25.330   2.151  1.00  0.00           H  
HETATM  156  H   UNL     1      57.518 -26.007   1.673  1.00  0.00           H  
HETATM  157  H   UNL     1      56.978 -28.113   2.891  1.00  0.00           H  
HETATM  158  H   UNL     1      54.256 -26.828   3.414  1.00  0.00           H  
HETATM  159  H   UNL     1      54.663 -28.551   3.720  1.00  0.00           H  
HETATM  160  H   UNL     1      54.834 -27.122   5.777  1.00  0.00           H  
HETATM  161  H   UNL     1      56.382 -27.919   5.337  1.00  0.00           H  
HETATM  162  H   UNL     1      55.629 -24.951   5.066  1.00  0.00           H  
HETATM  163  H   UNL     1      58.567 -31.081  -2.364  1.00  0.00           H  
HETATM  164  H   UNL     1      59.023 -30.943  -0.632  1.00  0.00           H  
CONECT    1    2    3   93   62                                       
CONECT    2    1    9    4                                            
CONECT    3    1   94   95   68                                       
CONECT    4    5   96    2                                            
CONECT    5    4    6    8    8                                       
CONECT    6    5    7    7   10                                       
CONECT    7    6    6                                                 
CONECT    8    5    5    9   97                                       
CONECT    9    8    2                                                 
CONECT   10   11   98    6                                            
CONECT   11   10   12   13   99                                       
CONECT   12   11   23   18                                            
CONECT   13   11   14  100  101                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17  102                                            
CONECT   17   16  103  104  105                                       
CONECT   18   19  106   12                                            
CONECT   19   18   20   22   22                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20                                                 
CONECT   22   19   19   23   24                                       
CONECT   23   22   12                                                 
CONECT   24   22  107  108  109                                       
CONECT   25   26  110   20                                            
CONECT   26   25   27   28  111                                       
CONECT   27   26   31   36                                            
CONECT   28   26   29   30  112                                       
CONECT   29   28  113  114  115                                       
CONECT   30   28  116  117  118                                       
CONECT   31   32  119   27                                            
CONECT   32   31   33   35   35                                       
CONECT   33   32   34   34   40                                       
CONECT   34   33   33                                                 
CONECT   35   32   32   36   37                                       
CONECT   36   35   27                                                 
CONECT   37   35   38  120  121                                       
CONECT   38   37   39                                                 
CONECT   39   38  122  123  124                                       
CONECT   40   41  125   33                                            
CONECT   41   40   42  126  127                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   45  128   42                                            
CONECT   45   44   46   47  129                                       
CONECT   46   45   59   55                                            
CONECT   47   45   48   49  130                                       
CONECT   48   47  131                                                 
CONECT   49   47   50   54   54                                       
CONECT   50   49   51   51  132                                       
CONECT   51   50   50   52  134                                       
CONECT   52   51   53   53  135                                       
CONECT   53   52   52   54  136                                       
CONECT   54   49   49   53  133                                       
CONECT   55   56  137   46                                            
CONECT   56   55   57   58   58                                       
CONECT   57   56   60   64                                            
CONECT   58   56   56   59  138                                       
CONECT   59   58   46                                                 
CONECT   60   61  139   57                                            
CONECT   61   60   62   63   63                                       
CONECT   62   61    1   65                                            
CONECT   63   61   61   64  140                                       
CONECT   64   63   57                                                 
CONECT   65   66   66   62                                            
CONECT   66   65   65   67   68                                       
CONECT   67   66   74   69                                            
CONECT   68   66  141  142    3                                       
CONECT   69   72  143   67                                            
CONECT   70   80   80                                                 
CONECT   71   86   80                                                 
CONECT   72   69   78   73   73                                       
CONECT   73   72   72   74  144                                       
CONECT   74   73   67                                                 
CONECT   75   90   90                                                 
CONECT   76   90  145                                                 
CONECT   77   92  146                                                 
CONECT   78   72   81   80                                            
CONECT   79   92   92                                                 
CONECT   80   78   70   70   71                                       
CONECT   81   78   82  147  148                                       
CONECT   82   81   83  149  150                                       
CONECT   83   82   91  151  152                                       
CONECT   84   89   85  153  154                                       
CONECT   85   84   86  155  156                                       
CONECT   86   71   85   87  157                                       
CONECT   87   86   88  158  159                                       
CONECT   88   87   89  160  161                                       
CONECT   89   84   88   90  162                                       
CONECT   90   89   75   75   76                                       
CONECT   91   83   92  163  164                                       
CONECT   92   79   79   77   91                                       
CONECT   93    1                                                      
CONECT   94    3                                                      
CONECT   95    3                                                      
CONECT   96    4                                                      
CONECT   97    8                                                      
CONECT   98   10                                                      
CONECT   99   11                                                      
CONECT  100   13                                                      
CONECT  101   13                                                      
CONECT  102   16                                                      
CONECT  103   17                                                      
CONECT  104   17                                                      
CONECT  105   17                                                      
CONECT  106   18                                                      
CONECT  107   24                                                      
CONECT  108   24                                                      
CONECT  109   24                                                      
CONECT  110   25                                                      
CONECT  111   26                                                      
CONECT  112   28                                                      
CONECT  113   29                                                      
CONECT  114   29                                                      
CONECT  115   29                                                      
CONECT  116   30                                                      
CONECT  117   30                                                      
CONECT  118   30                                                      
CONECT  119   31                                                      
CONECT  120   37                                                      
CONECT  121   37                                                      
CONECT  122   39                                                      
CONECT  123   39                                                      
CONECT  124   39                                                      
CONECT  125   40                                                      
CONECT  126   41                                                      
CONECT  127   41                                                      
CONECT  128   44                                                      
CONECT  129   45                                                      
CONECT  130   47                                                      
CONECT  131   48                                                      
CONECT  132   50                                                      
CONECT  133   54                                                      
CONECT  134   51                                                      
CONECT  135   52                                                      
CONECT  136   53                                                      
CONECT  137   55                                                      
CONECT  138   58                                                      
CONECT  139   60                                                      
CONECT  140   63                                                      
CONECT  141   68                                                      
CONECT  142   68                                                      
CONECT  143   69                                                      
CONECT  144   73                                                      
CONECT  145   76                                                      
CONECT  146   77                                                      
CONECT  147   81                                                      
CONECT  148   81                                                      
CONECT  149   82                                                      
CONECT  150   82                                                      
CONECT  151   83                                                      
CONECT  152   83                                                      
CONECT  153   84                                                      
CONECT  154   84                                                      
CONECT  155   85                                                      
CONECT  156   85                                                      
CONECT  157   86                                                      
CONECT  158   87                                                      
CONECT  159   87                                                      
CONECT  160   88                                                      
CONECT  161   88                                                      
CONECT  162   89                                                      
CONECT  163   91                                                      
CONECT  164   91                                                      
MASTER        0    0    0    0    0    0    0    0  164    0  164    0
END
