COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     111.645   3.658  -9.013  1.00  0.00           C  
HETATM    2  C   UNL     1     111.704   4.822  -8.150  1.00  0.00           C  
HETATM    3  C   UNL     1     111.137   3.782 -10.280  1.00  0.00           C  
HETATM    4  N   UNL     1     112.793   5.524  -7.743  1.00  0.00           N  
HETATM    5  C   UNL     1     112.437   6.657  -6.992  1.00  0.00           C  
HETATM    6  C   UNL     1     113.414   7.551  -6.463  1.00  0.00           C  
HETATM    7  O   UNL     1     113.073   8.539  -5.812  1.00  0.00           O  
HETATM    8  C   UNL     1     111.103   6.790  -6.840  1.00  0.00           C  
HETATM    9  S   UNL     1     110.293   5.533  -7.613  1.00  0.00           S  
HETATM   10  N   UNL     1     114.641   7.057  -6.389  1.00  0.00           N  
HETATM   11  C   UNL     1     115.645   7.657  -5.525  1.00  0.00           C  
HETATM   12  C   UNL     1     117.004   7.007  -5.740  1.00  0.00           C  
HETATM   13  O   UNL     1     117.921   7.213  -4.946  1.00  0.00           O  
HETATM   14  C   UNL     1     115.232   7.500  -4.055  1.00  0.00           C  
HETATM   15  O   UNL     1     116.015   8.338  -3.223  1.00  0.00           O  
HETATM   16  C   UNL     1     115.361   6.061  -3.546  1.00  0.00           C  
HETATM   17  N   UNL     1     117.001   5.977  -6.578  1.00  0.00           N  
HETATM   18  C   UNL     1     118.102   5.109  -6.524  1.00  0.00           C  
HETATM   19  C   UNL     1     118.495   4.497  -7.637  1.00  0.00           C  
HETATM   20  C   UNL     1     117.711   4.597  -8.911  1.00  0.00           C  
HETATM   21  C   UNL     1     118.818   4.834  -5.267  1.00  0.00           C  
HETATM   22  N   UNL     1     118.312   4.731  -4.012  1.00  0.00           N  
HETATM   23  C   UNL     1     119.310   4.465  -3.061  1.00  0.00           C  
HETATM   24  C   UNL     1     119.014   4.276  -1.680  1.00  0.00           C  
HETATM   25  O   UNL     1     119.902   4.060  -0.859  1.00  0.00           O  
HETATM   26  C   UNL     1     120.538   4.370  -3.604  1.00  0.00           C  
HETATM   27  S   UNL     1     120.472   4.604  -5.270  1.00  0.00           S  
HETATM   28  N   UNL     1     117.733   4.320  -1.348  1.00  0.00           N  
HETATM   29  C   UNL     1     117.298   4.122   0.027  1.00  0.00           C  
HETATM   30  C   UNL     1     116.135   3.135  -0.019  1.00  0.00           C  
HETATM   31  C   UNL     1     116.937   5.479   0.677  1.00  0.00           C  
HETATM   32  C   UNL     1     115.480   5.876   0.578  1.00  0.00           C  
HETATM   33  O   UNL     1     114.929   5.403  -0.633  1.00  0.00           O  
HETATM   34  C   UNL     1     115.278   7.376   0.617  1.00  0.00           C  
HETATM   35  O   UNL     1     114.622   7.946   1.642  1.00  0.00           O  
HETATM   36  O   UNL     1     115.857   8.094  -0.198  1.00  0.00           O  
HETATM   37  N   UNL     1     115.136   3.069  -0.938  1.00  0.00           N  
HETATM   38  C   UNL     1     114.317   1.946  -0.741  1.00  0.00           C  
HETATM   39  C   UNL     1     113.196   1.680  -1.593  1.00  0.00           C  
HETATM   40  O   UNL     1     112.480   0.693  -1.423  1.00  0.00           O  
HETATM   41  C   UNL     1     114.705   1.189   0.314  1.00  0.00           C  
HETATM   42  S   UNL     1     116.062   1.866   1.058  1.00  0.00           S  
HETATM   43  N   UNL     1     112.981   2.562  -2.571  1.00  0.00           N  
HETATM   44  C   UNL     1     111.874   2.410  -3.517  1.00  0.00           C  
HETATM   45  C   UNL     1     112.436   2.299  -4.925  1.00  0.00           C  
HETATM   46  C   UNL     1     110.891   3.596  -3.424  1.00  0.00           C  
HETATM   47  S   UNL     1     111.649   5.231  -3.604  1.00  0.00           S  
HETATM   48  N   UNL     1     111.773   2.453  -6.096  1.00  0.00           N  
HETATM   49  C   UNL     1     112.621   2.269  -7.200  1.00  0.00           C  
HETATM   50  C   UNL     1     112.066   2.412  -8.586  1.00  0.00           C  
HETATM   51  C   UNL     1     113.901   1.980  -6.850  1.00  0.00           C  
HETATM   52  S   UNL     1     114.045   1.939  -5.167  1.00  0.00           S  
HETATM   53  N   UNL     1     111.984   1.322  -9.388  1.00  0.00           N  
HETATM   54  C   UNL     1     111.476   1.470 -10.635  1.00  0.00           C  
HETATM   55  C   UNL     1     111.392   0.316 -11.515  1.00  0.00           C  
HETATM   56  C   UNL     1     111.042   2.691 -11.112  1.00  0.00           C  
HETATM   57  O   UNL     1     110.525   2.801 -12.384  1.00  0.00           O  
HETATM   58  N   UNL     1     110.404  -0.616 -11.608  1.00  0.00           N  
HETATM   59  C   UNL     1     110.644  -1.541 -12.642  1.00  0.00           C  
HETATM   60  C   UNL     1     109.752  -2.624 -12.932  1.00  0.00           C  
HETATM   61  O   UNL     1     109.984  -3.418 -13.844  1.00  0.00           O  
HETATM   62  C   UNL     1     111.799  -1.295 -13.302  1.00  0.00           C  
HETATM   63  S   UNL     1     112.576   0.052 -12.658  1.00  0.00           S  
HETATM   64  N   UNL     1     108.671  -2.725 -12.161  1.00  0.00           N  
HETATM   65  C   UNL     1     107.692  -3.792 -12.362  1.00  0.00           C  
HETATM   66  C   UNL     1     106.720  -3.438 -13.483  1.00  0.00           C  
HETATM   67  O   UNL     1     105.788  -4.189 -13.771  1.00  0.00           O  
HETATM   68  C   UNL     1     106.893  -4.058 -11.072  1.00  0.00           C  
HETATM   69  N   UNL     1     106.939  -2.291 -14.117  1.00  0.00           N  
HETATM   70  C   UNL     1     111.543   5.817  -1.946  1.00  0.00           C  
HETATM   71  O   UNL     1     111.524   4.984  -1.041  1.00  0.00           O  
HETATM   72  C   UNL     1     112.322   6.793   0.867  1.00  0.00           C  
HETATM   73  C   UNL     1     112.574   7.563  -0.413  1.00  0.00           C  
HETATM   74  C   UNL     1     112.082   7.195  -1.630  1.00  0.00           C  
HETATM   75  N   UNL     1     112.215   8.223  -2.527  1.00  0.00           N  
HETATM   76  C   UNL     1     113.212   8.845  -0.612  1.00  0.00           C  
HETATM   77  C   UNL     1     112.933   9.232  -1.944  1.00  0.00           C  
HETATM   78  C   UNL     1     113.954   9.739   0.193  1.00  0.00           C  
HETATM   79  C   UNL     1     113.356  10.450  -2.478  1.00  0.00           C  
HETATM   80  C   UNL     1     114.374  10.943  -0.345  1.00  0.00           C  
HETATM   81  C   UNL     1     114.073  11.288  -1.668  1.00  0.00           C  
HETATM   82  C   UNL     1     114.433   9.348   1.579  1.00  0.00           C  
HETATM   83  H   UNL     1     112.655   3.878  -9.389  1.00  0.00           H  
HETATM   84  H   UNL     1     110.118   4.183 -10.171  1.00  0.00           H  
HETATM   85  H   UNL     1     111.767   4.518 -10.800  1.00  0.00           H  
HETATM   86  H   UNL     1     113.307   5.819  -8.549  1.00  0.00           H  
HETATM   87  H   UNL     1     110.622   7.591  -6.298  1.00  0.00           H  
HETATM   88  H   UNL     1     114.881   6.256  -6.938  1.00  0.00           H  
HETATM   89  H   UNL     1     115.730   8.730  -5.750  1.00  0.00           H  
HETATM   90  H   UNL     1     114.175   7.792  -3.971  1.00  0.00           H  
HETATM   91  H   UNL     1     116.927   8.278  -3.481  1.00  0.00           H  
HETATM   92  H   UNL     1     115.052   6.015  -2.491  1.00  0.00           H  
HETATM   93  H   UNL     1     114.717   5.401  -4.146  1.00  0.00           H  
HETATM   94  H   UNL     1     116.407   5.733  -3.636  1.00  0.00           H  
HETATM   95  H   UNL     1     116.248   5.827  -7.219  1.00  0.00           H  
HETATM   96  H   UNL     1     119.403   3.912  -7.623  1.00  0.00           H  
HETATM   97  H   UNL     1     118.215   4.017  -9.699  1.00  0.00           H  
HETATM   98  H   UNL     1     116.699   4.196  -8.751  1.00  0.00           H  
HETATM   99  H   UNL     1     117.643   5.651  -9.218  1.00  0.00           H  
HETATM  100  H   UNL     1     117.643   3.988  -3.994  1.00  0.00           H  
HETATM  101  H   UNL     1     121.442   4.171  -3.047  1.00  0.00           H  
HETATM  102  H   UNL     1     117.050   4.493  -2.057  1.00  0.00           H  
HETATM  103  H   UNL     1     118.116   3.670   0.607  1.00  0.00           H  
HETATM  104  H   UNL     1     117.203   5.427   1.743  1.00  0.00           H  
HETATM  105  H   UNL     1     117.536   6.261   0.187  1.00  0.00           H  
HETATM  106  H   UNL     1     114.942   5.432   1.429  1.00  0.00           H  
HETATM  107  H   UNL     1     114.915   6.107  -1.271  1.00  0.00           H  
HETATM  108  H   UNL     1     115.540   3.018  -1.851  1.00  0.00           H  
HETATM  109  H   UNL     1     114.216   0.281   0.634  1.00  0.00           H  
HETATM  110  H   UNL     1     113.593   3.348  -2.660  1.00  0.00           H  
HETATM  111  H   UNL     1     111.323   1.486  -3.286  1.00  0.00           H  
HETATM  112  H   UNL     1     110.138   3.479  -4.218  1.00  0.00           H  
HETATM  113  H   UNL     1     110.397   3.554  -2.442  1.00  0.00           H  
HETATM  114  H   UNL     1     111.389   3.376  -6.132  1.00  0.00           H  
HETATM  115  H   UNL     1     114.708   1.802  -7.545  1.00  0.00           H  
HETATM  116  H   UNL     1     112.049   2.899 -11.502  1.00  0.00           H  
HETATM  117  H   UNL     1     110.277   3.703 -12.549  1.00  0.00           H  
HETATM  118  H   UNL     1     109.537  -0.150 -11.787  1.00  0.00           H  
HETATM  119  H   UNL     1     112.171  -1.882 -14.128  1.00  0.00           H  
HETATM  120  H   UNL     1     108.526  -2.058 -11.430  1.00  0.00           H  
HETATM  121  H   UNL     1     108.217  -4.718 -12.638  1.00  0.00           H  
HETATM  122  H   UNL     1     106.165  -4.863 -11.250  1.00  0.00           H  
HETATM  123  H   UNL     1     107.582  -4.358 -10.269  1.00  0.00           H  
HETATM  124  H   UNL     1     106.361  -3.142 -10.775  1.00  0.00           H  
HETATM  125  H   UNL     1     106.334  -2.008 -14.861  1.00  0.00           H  
HETATM  126  H   UNL     1     107.709  -1.711 -13.850  1.00  0.00           H  
HETATM  127  H   UNL     1     113.143   6.081   1.035  1.00  0.00           H  
HETATM  128  H   UNL     1     112.267   7.495   1.712  1.00  0.00           H  
HETATM  129  H   UNL     1     111.372   6.244   0.784  1.00  0.00           H  
HETATM  130  H   UNL     1     111.847   8.234  -3.457  1.00  0.00           H  
HETATM  131  H   UNL     1     113.125  10.722  -3.497  1.00  0.00           H  
HETATM  132  H   UNL     1     114.943  11.628   0.266  1.00  0.00           H  
HETATM  133  H   UNL     1     115.385   9.855   1.793  1.00  0.00           H  
HETATM  134  H   UNL     1     113.682   9.649   2.324  1.00  0.00           H  
HETATM  135  H   UNL     1     114.414  12.236  -2.058  1.00  0.00           H  
CONECT    1    2    3   83   50                                       
CONECT    2    1    4    9                                            
CONECT    3    1   84   85   56                                       
CONECT    4    5   86    2                                            
CONECT    5    4    6    8    8                                       
CONECT    6    5    7    7   10                                       
CONECT    7    6    6                                                 
CONECT    8    5    5    9   87                                       
CONECT    9    8    2                                                 
CONECT   10   11   88    6                                            
CONECT   11   10   12   14   89                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   90                                       
CONECT   15   14   91                                                 
CONECT   16   14   92   93   94                                       
CONECT   17   18   95   12                                            
CONECT   18   17   19   19   21                                       
CONECT   19   18   18   20   96                                       
CONECT   20   19   97   98   99                                       
CONECT   21   18   22   27                                            
CONECT   22   23  100   21                                            
CONECT   23   22   24   26   26                                       
CONECT   24   23   25   25   28                                       
CONECT   25   24   24                                                 
CONECT   26   23   23   27  101                                       
CONECT   27   26   21                                                 
CONECT   28   29  102   24                                            
CONECT   29   28   30   31  103                                       
CONECT   30   29   42   37                                            
CONECT   31   29   32  104  105                                       
CONECT   32   31   33   34  106                                       
CONECT   33   32  107                                                 
CONECT   34   32   35   36   36                                       
CONECT   35   34   82                                                 
CONECT   36   34   34                                                 
CONECT   37   38  108   30                                            
CONECT   38   37   39   41   41                                       
CONECT   39   38   40   40   43                                       
CONECT   40   39   39                                                 
CONECT   41   38   38   42  109                                       
CONECT   42   41   30                                                 
CONECT   43   44  110   39                                            
CONECT   44   43   45   46  111                                       
CONECT   45   44   48   52                                            
CONECT   46   44   47  112  113                                       
CONECT   47   46   70                                                 
CONECT   48   49  114   45                                            
CONECT   49   48   50   51   51                                       
CONECT   50   49    1   53                                            
CONECT   51   49   49   52  115                                       
CONECT   52   51   45                                                 
CONECT   53   54   54   50                                            
CONECT   54   53   53   55   56                                       
CONECT   55   54   58   63                                            
CONECT   56   54   57  116    3                                       
CONECT   57   56  117                                                 
CONECT   58   59  118   55                                            
CONECT   59   58   60   62   62                                       
CONECT   60   59   61   61   64                                       
CONECT   61   60   60                                                 
CONECT   62   59   59   63  119                                       
CONECT   63   62   55                                                 
CONECT   64   65  120   60                                            
CONECT   65   64   66   68  121                                       
CONECT   66   65   67   67   69                                       
CONECT   67   66   66                                                 
CONECT   68   65  122  123  124                                       
CONECT   69  125  126   66                                            
CONECT   70   71   71   74   47                                       
CONECT   71   70   70                                                 
CONECT   72   73  127  128  129                                       
CONECT   73   72   74   74   76                                       
CONECT   74   70   73   73   75                                       
CONECT   75   74   77  130                                            
CONECT   76   73   77   78   78                                       
CONECT   77   75   76   79   79                                       
CONECT   78   76   76   80   82                                       
CONECT   79   77   77   81  131                                       
CONECT   80   78   81   81  132                                       
CONECT   81   79   80   80  135                                       
CONECT   82   78  133  134   35                                       
CONECT   83    1                                                      
CONECT   84    3                                                      
CONECT   85    3                                                      
CONECT   86    4                                                      
CONECT   87    8                                                      
CONECT   88   10                                                      
CONECT   89   11                                                      
CONECT   90   14                                                      
CONECT   91   15                                                      
CONECT   92   16                                                      
CONECT   93   16                                                      
CONECT   94   16                                                      
CONECT   95   17                                                      
CONECT   96   19                                                      
CONECT   97   20                                                      
CONECT   98   20                                                      
CONECT   99   20                                                      
CONECT  100   22                                                      
CONECT  101   26                                                      
CONECT  102   28                                                      
CONECT  103   29                                                      
CONECT  104   31                                                      
CONECT  105   31                                                      
CONECT  106   32                                                      
CONECT  107   33                                                      
CONECT  108   37                                                      
CONECT  109   41                                                      
CONECT  110   43                                                      
CONECT  111   44                                                      
CONECT  112   46                                                      
CONECT  113   46                                                      
CONECT  114   48                                                      
CONECT  115   51                                                      
CONECT  116   56                                                      
CONECT  117   57                                                      
CONECT  118   58                                                      
CONECT  119   62                                                      
CONECT  120   64                                                      
CONECT  121   65                                                      
CONECT  122   68                                                      
CONECT  123   68                                                      
CONECT  124   68                                                      
CONECT  125   69                                                      
CONECT  126   69                                                      
CONECT  127   72                                                      
CONECT  128   72                                                      
CONECT  129   72                                                      
CONECT  130   75                                                      
CONECT  131   79                                                      
CONECT  132   80                                                      
CONECT  133   82                                                      
CONECT  134   82                                                      
CONECT  135   81                                                      
MASTER        0    0    0    0    0    0    0    0  135    0  135    0
END
