COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1     -51.095  23.480  10.146  1.00  0.00           C  
HETATM    2  C   UNL     1     -51.327  24.193   8.917  1.00  0.00           C  
HETATM    3  C   UNL     1     -51.959  23.727  11.276  1.00  0.00           C  
HETATM    4  N   UNL     1     -51.225  23.683   7.686  1.00  0.00           N  
HETATM    5  C   UNL     1     -51.499  24.603   6.637  1.00  0.00           C  
HETATM    6  C   UNL     1     -51.444  24.303   5.197  1.00  0.00           C  
HETATM    7  O   UNL     1     -51.788  25.075   4.328  1.00  0.00           O  
HETATM    8  C   UNL     1     -51.819  25.838   7.147  1.00  0.00           C  
HETATM    9  S   UNL     1     -51.783  25.887   8.894  1.00  0.00           S  
HETATM   10  N   UNL     1     -50.907  23.093   4.958  1.00  0.00           N  
HETATM   11  C   UNL     1     -50.594  22.424   3.698  1.00  0.00           C  
HETATM   12  C   UNL     1     -51.742  21.615   3.204  1.00  0.00           C  
HETATM   13  C   UNL     1     -49.300  21.647   3.686  1.00  0.00           C  
HETATM   14  C   UNL     1     -49.098  20.441   4.562  1.00  0.00           C  
HETATM   15  O   UNL     1     -49.962  20.080   5.354  1.00  0.00           O  
HETATM   16  N   UNL     1     -47.957  19.769   4.456  1.00  0.00           N  
HETATM   17  N   UNL     1     -51.591  20.747   2.243  1.00  0.00           N  
HETATM   18  C   UNL     1     -52.735  20.084   1.884  1.00  0.00           C  
HETATM   19  C   UNL     1     -52.756  19.046   0.804  1.00  0.00           C  
HETATM   20  O   UNL     1     -53.639  18.182   0.689  1.00  0.00           O  
HETATM   21  C   UNL     1     -53.869  20.458   2.615  1.00  0.00           C  
HETATM   22  S   UNL     1     -53.410  21.701   3.789  1.00  0.00           S  
HETATM   23  C   UNL     1     -55.273  20.018   2.572  1.00  0.00           C  
HETATM   24  N   UNL     1     -51.693  19.110  -0.024  1.00  0.00           N  
HETATM   25  C   UNL     1     -51.235  18.095  -0.997  1.00  0.00           C  
HETATM   26  C   UNL     1     -49.752  18.015  -0.935  1.00  0.00           C  
HETATM   27  C   UNL     1     -51.776  18.386  -2.471  1.00  0.00           C  
HETATM   28  O   UNL     1     -51.383  17.288  -3.296  1.00  0.00           O  
HETATM   29  C   UNL     1     -51.328  19.729  -3.067  1.00  0.00           C  
HETATM   30  C   UNL     1     -50.083  19.860  -3.771  1.00  0.00           C  
HETATM   31  C   UNL     1     -49.682  21.112  -4.319  1.00  0.00           C  
HETATM   32  C   UNL     1     -50.517  22.237  -4.171  1.00  0.00           C  
HETATM   33  C   UNL     1     -51.778  22.155  -3.473  1.00  0.00           C  
HETATM   34  C   UNL     1     -52.197  20.897  -2.910  1.00  0.00           C  
HETATM   35  N   UNL     1     -48.934  19.054  -0.666  1.00  0.00           N  
HETATM   36  C   UNL     1     -47.577  18.711  -0.679  1.00  0.00           C  
HETATM   37  C   UNL     1     -46.503  19.688  -0.407  1.00  0.00           C  
HETATM   38  O   UNL     1     -45.304  19.353  -0.367  1.00  0.00           O  
HETATM   39  C   UNL     1     -47.393  17.369  -0.969  1.00  0.00           C  
HETATM   40  S   UNL     1     -48.870  16.517  -1.229  1.00  0.00           S  
HETATM   41  N   UNL     1     -46.940  20.939  -0.194  1.00  0.00           N  
HETATM   42  C   UNL     1     -46.172  22.126   0.125  1.00  0.00           C  
HETATM   43  C   UNL     1     -45.947  22.191   1.683  1.00  0.00           C  
HETATM   44  O   UNL     1     -46.671  21.508   2.367  1.00  0.00           O  
HETATM   45  C   UNL     1     -46.859  23.422  -0.477  1.00  0.00           C  
HETATM   46  C   UNL     1     -48.271  23.693  -0.028  1.00  0.00           C  
HETATM   47  C   UNL     1     -49.378  22.877  -0.490  1.00  0.00           C  
HETATM   48  C   UNL     1     -48.472  24.809   0.875  1.00  0.00           C  
HETATM   49  C   UNL     1     -50.704  23.174  -0.048  1.00  0.00           C  
HETATM   50  C   UNL     1     -49.836  25.058   1.283  1.00  0.00           C  
HETATM   51  C   UNL     1     -50.933  24.277   0.845  1.00  0.00           C  
HETATM   52  O   UNL     1     -52.166  24.583   1.282  1.00  0.00           O  
HETATM   53  N   UNL     1     -44.987  22.914   2.249  1.00  0.00           N  
HETATM   54  C   UNL     1     -44.652  23.019   3.685  1.00  0.00           C  
HETATM   55  C   UNL     1     -43.467  23.926   3.828  1.00  0.00           C  
HETATM   56  C   UNL     1     -42.825  23.858   2.445  1.00  0.00           C  
HETATM   57  C   UNL     1     -45.767  23.487   4.593  1.00  0.00           C  
HETATM   58  O   UNL     1     -42.014  22.703   2.297  1.00  0.00           O  
HETATM   59  C   UNL     1     -44.011  23.775   1.531  1.00  0.00           C  
HETATM   60  C   UNL     1     -42.504  23.466   5.002  1.00  0.00           C  
HETATM   61  N   UNL     1     -46.214  22.710   5.530  1.00  0.00           N  
HETATM   62  C   UNL     1     -47.189  23.313   6.299  1.00  0.00           C  
HETATM   63  C   UNL     1     -47.780  22.598   7.398  1.00  0.00           C  
HETATM   64  C   UNL     1     -47.466  24.600   5.886  1.00  0.00           C  
HETATM   65  S   UNL     1     -46.525  25.078   4.517  1.00  0.00           S  
HETATM   66  N   UNL     1     -48.677  23.095   8.241  1.00  0.00           N  
HETATM   67  C   UNL     1     -49.082  22.170   9.256  1.00  0.00           C  
HETATM   68  C   UNL     1     -50.046  22.536  10.292  1.00  0.00           C  
HETATM   69  C   UNL     1     -48.455  20.983   9.102  1.00  0.00           C  
HETATM   70  S   UNL     1     -47.362  20.945   7.753  1.00  0.00           S  
HETATM   71  N   UNL     1     -49.842  21.861  11.439  1.00  0.00           N  
HETATM   72  C   UNL     1     -50.642  22.063  12.509  1.00  0.00           C  
HETATM   73  C   UNL     1     -50.385  21.256  13.685  1.00  0.00           C  
HETATM   74  C   UNL     1     -51.722  22.996  12.478  1.00  0.00           C  
HETATM   75  N   UNL     1     -51.211  21.027  14.687  1.00  0.00           N  
HETATM   76  C   UNL     1     -50.708  20.166  15.701  1.00  0.00           C  
HETATM   77  C   UNL     1     -51.493  19.776  16.918  1.00  0.00           C  
HETATM   78  O   UNL     1     -51.085  19.030  17.795  1.00  0.00           O  
HETATM   79  C   UNL     1     -49.411  19.729  15.418  1.00  0.00           C  
HETATM   80  S   UNL     1     -48.849  20.400  13.891  1.00  0.00           S  
HETATM   81  N   UNL     1     -52.709  20.309  16.962  1.00  0.00           N  
HETATM   82  H   UNL     1     -50.422  24.281  10.485  1.00  0.00           H  
HETATM   83  H   UNL     1     -51.876  24.796  11.523  1.00  0.00           H  
HETATM   84  H   UNL     1     -52.987  23.503  10.956  1.00  0.00           H  
HETATM   85  H   UNL     1     -51.870  22.922   7.610  1.00  0.00           H  
HETATM   86  H   UNL     1     -52.067  26.690   6.532  1.00  0.00           H  
HETATM   87  H   UNL     1     -50.686  22.565   5.778  1.00  0.00           H  
HETATM   88  H   UNL     1     -50.458  23.226   2.958  1.00  0.00           H  
HETATM   89  H   UNL     1     -49.152  21.306   2.651  1.00  0.00           H  
HETATM   90  H   UNL     1     -48.507  22.361   3.954  1.00  0.00           H  
HETATM   91  H   UNL     1     -47.797  18.962   5.025  1.00  0.00           H  
HETATM   92  H   UNL     1     -47.258  20.070   3.808  1.00  0.00           H  
HETATM   93  H   UNL     1     -50.918  20.069   2.539  1.00  0.00           H  
HETATM   94  H   UNL     1     -55.854  20.568   3.327  1.00  0.00           H  
HETATM   95  H   UNL     1     -55.689  20.217   1.573  1.00  0.00           H  
HETATM   96  H   UNL     1     -55.326  18.940   2.783  1.00  0.00           H  
HETATM   97  H   UNL     1     -51.148  19.947   0.026  1.00  0.00           H  
HETATM   98  H   UNL     1     -51.643  17.119  -0.695  1.00  0.00           H  
HETATM   99  H   UNL     1     -52.874  18.405  -2.407  1.00  0.00           H  
HETATM  100  H   UNL     1     -51.691  17.432  -4.183  1.00  0.00           H  
HETATM  101  H   UNL     1     -49.443  18.998  -3.886  1.00  0.00           H  
HETATM  102  H   UNL     1     -53.135  20.817  -2.381  1.00  0.00           H  
HETATM  103  H   UNL     1     -48.743  21.198  -4.845  1.00  0.00           H  
HETATM  104  H   UNL     1     -50.206  23.183  -4.590  1.00  0.00           H  
HETATM  105  H   UNL     1     -52.403  23.030  -3.374  1.00  0.00           H  
HETATM  106  H   UNL     1     -49.162  19.411   0.240  1.00  0.00           H  
HETATM  107  H   UNL     1     -46.421  16.902  -1.027  1.00  0.00           H  
HETATM  108  H   UNL     1     -47.929  21.070  -0.265  1.00  0.00           H  
HETATM  109  H   UNL     1     -45.180  22.040  -0.343  1.00  0.00           H  
HETATM  110  H   UNL     1     -46.244  24.290  -0.195  1.00  0.00           H  
HETATM  111  H   UNL     1     -46.868  23.319  -1.572  1.00  0.00           H  
HETATM  112  H   UNL     1     -49.201  22.051  -1.163  1.00  0.00           H  
HETATM  113  H   UNL     1     -47.651  25.418   1.222  1.00  0.00           H  
HETATM  114  H   UNL     1     -51.534  22.570  -0.385  1.00  0.00           H  
HETATM  115  H   UNL     1     -50.028  25.881   1.956  1.00  0.00           H  
HETATM  116  H   UNL     1     -52.120  25.336   1.859  1.00  0.00           H  
HETATM  117  H   UNL     1     -44.346  22.020   4.031  1.00  0.00           H  
HETATM  118  H   UNL     1     -43.803  24.954   4.028  1.00  0.00           H  
HETATM  119  H   UNL     1     -42.256  24.779   2.250  1.00  0.00           H  
HETATM  120  H   UNL     1     -41.632  22.693   1.427  1.00  0.00           H  
HETATM  121  H   UNL     1     -43.728  23.321   0.570  1.00  0.00           H  
HETATM  122  H   UNL     1     -44.434  24.775   1.354  1.00  0.00           H  
HETATM  123  H   UNL     1     -41.652  24.158   5.070  1.00  0.00           H  
HETATM  124  H   UNL     1     -43.057  23.471   5.953  1.00  0.00           H  
HETATM  125  H   UNL     1     -42.136  22.450   4.797  1.00  0.00           H  
HETATM  126  H   UNL     1     -45.452  22.453   6.124  1.00  0.00           H  
HETATM  127  H   UNL     1     -48.192  25.239   6.366  1.00  0.00           H  
HETATM  128  H   UNL     1     -49.486  23.366   7.719  1.00  0.00           H  
HETATM  129  H   UNL     1     -48.618  20.139   9.755  1.00  0.00           H  
HETATM  130  H   UNL     1     -52.641  22.435  12.703  1.00  0.00           H  
HETATM  131  H   UNL     1     -51.537  23.732  13.274  1.00  0.00           H  
HETATM  132  H   UNL     1     -52.042  20.614  14.315  1.00  0.00           H  
HETATM  133  H   UNL     1     -48.833  19.070  16.049  1.00  0.00           H  
HETATM  134  H   UNL     1     -53.318  20.103  17.728  1.00  0.00           H  
HETATM  135  H   UNL     1     -53.015  20.916  16.229  1.00  0.00           H  
CONECT    1    2    3   82   68                                       
CONECT    2    1    4    9                                            
CONECT    3    1   83   84   74                                       
CONECT    4    5   85    2                                            
CONECT    5    4    6    8    8                                       
CONECT    6    5    7    7   10                                       
CONECT    7    6    6                                                 
CONECT    8    5    5    9   86                                       
CONECT    9    8    2                                                 
CONECT   10   11   87    6                                            
CONECT   11   10   12   13   88                                       
CONECT   12   11   17   22                                            
CONECT   13   11   14   89   90                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   91   92                                            
CONECT   17   18   93   12                                            
CONECT   18   17   19   21   21                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19                                                 
CONECT   21   18   18   22   23                                       
CONECT   22   21   12                                                 
CONECT   23   21   94   95   96                                       
CONECT   24   25   97   19                                            
CONECT   25   24   26   27   98                                       
CONECT   26   25   40   35                                            
CONECT   27   25   28   29   99                                       
CONECT   28   27  100                                                 
CONECT   29   27   30   34   34                                       
CONECT   30   29   31   31  101                                       
CONECT   31   30   30   32  103                                       
CONECT   32   31   33   33  104                                       
CONECT   33   32   32   34  105                                       
CONECT   34   29   29   33  102                                       
CONECT   35   36  106   26                                            
CONECT   36   35   37   39   39                                       
CONECT   37   36   38   38   41                                       
CONECT   38   37   37                                                 
CONECT   39   36   36   40  107                                       
CONECT   40   39   26                                                 
CONECT   41   42  108   37                                            
CONECT   42   41   43   45  109                                       
CONECT   43   42   44   44   53                                       
CONECT   44   43   43                                                 
CONECT   45   42   46  110  111                                       
CONECT   46   45   47   47   48                                       
CONECT   47   46   46   49  112                                       
CONECT   48   46   50   50  113                                       
CONECT   49   47   51   51  114                                       
CONECT   50   48   48   51  115                                       
CONECT   51   49   49   50   52                                       
CONECT   52   51  116                                                 
CONECT   53   54   59   43                                            
CONECT   54   53   55   57  117                                       
CONECT   55   54   60  118   56                                       
CONECT   56   55  119   58   59                                       
CONECT   57   54   61   65                                            
CONECT   58   56  120                                                 
CONECT   59   53   56  121  122                                       
CONECT   60   55  123  124  125                                       
CONECT   61   62  126   57                                            
CONECT   62   61   63   64   64                                       
CONECT   63   62   66   70                                            
CONECT   64   62   62   65  127                                       
CONECT   65   64   57                                                 
CONECT   66   67  128   63                                            
CONECT   67   66   68   69   69                                       
CONECT   68   67    1   71                                            
CONECT   69   67   67   70  129                                       
CONECT   70   69   63                                                 
CONECT   71   72   72   68                                            
CONECT   72   71   71   73   74                                       
CONECT   73   72   75   80                                            
CONECT   74   72  130  131    3                                       
CONECT   75   76  132   73                                            
CONECT   76   75   77   79   79                                       
CONECT   77   76   78   78   81                                       
CONECT   78   77   77                                                 
CONECT   79   76   76   80  133                                       
CONECT   80   79   73                                                 
CONECT   81  134  135   77                                            
CONECT   82    1                                                      
CONECT   83    3                                                      
CONECT   84    3                                                      
CONECT   85    4                                                      
CONECT   86    8                                                      
CONECT   87   10                                                      
CONECT   88   11                                                      
CONECT   89   13                                                      
CONECT   90   13                                                      
CONECT   91   16                                                      
CONECT   92   16                                                      
CONECT   93   17                                                      
CONECT   94   23                                                      
CONECT   95   23                                                      
CONECT   96   23                                                      
CONECT   97   24                                                      
CONECT   98   25                                                      
CONECT   99   27                                                      
CONECT  100   28                                                      
CONECT  101   30                                                      
CONECT  102   34                                                      
CONECT  103   31                                                      
CONECT  104   32                                                      
CONECT  105   33                                                      
CONECT  106   35                                                      
CONECT  107   39                                                      
CONECT  108   41                                                      
CONECT  109   42                                                      
CONECT  110   45                                                      
CONECT  111   45                                                      
CONECT  112   47                                                      
CONECT  113   48                                                      
CONECT  114   49                                                      
CONECT  115   50                                                      
CONECT  116   52                                                      
CONECT  117   54                                                      
CONECT  118   55                                                      
CONECT  119   56                                                      
CONECT  120   58                                                      
CONECT  121   59                                                      
CONECT  122   59                                                      
CONECT  123   60                                                      
CONECT  124   60                                                      
CONECT  125   60                                                      
CONECT  126   61                                                      
CONECT  127   64                                                      
CONECT  128   66                                                      
CONECT  129   69                                                      
CONECT  130   74                                                      
CONECT  131   74                                                      
CONECT  132   75                                                      
CONECT  133   79                                                      
CONECT  134   81                                                      
CONECT  135   81                                                      
MASTER        0    0    0    0    0    0    0    0  135    0  135    0
END
