COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.609   2.650   1.943  1.00  0.00           C  
HETATM    2  N   UNL     1       6.600   2.512   0.507  1.00  0.00           N  
HETATM    3  O   UNL     1       6.715   1.308   2.366  1.00  0.00           O  
HETATM    4  O   UNL     1       6.178   0.565  -1.466  1.00  0.00           O  
HETATM    5  C   UNL     1       5.408   0.673  -0.535  1.00  0.00           C  
HETATM    6  C   UNL     1       5.269   1.985   0.194  1.00  0.00           C  
HETATM    7  C   UNL     1       4.520   2.984  -0.690  1.00  0.00           C  
HETATM    8  C   UNL     1       3.858   4.046   0.190  1.00  0.00           C  
HETATM    9  C   UNL     1       7.240   2.108   1.622  1.00  0.00           C  
HETATM   10  N   UNL     1       4.652  -0.387  -0.138  1.00  0.00           N  
HETATM   11  C   UNL     1       4.831  -1.646  -0.889  1.00  0.00           C  
HETATM   12  C   UNL     1       4.060  -2.739  -0.195  1.00  0.00           C  
HETATM   13  O   UNL     1       4.266  -2.995   0.973  1.00  0.00           O  
HETATM   14  C   UNL     1       6.316  -2.012  -0.928  1.00  0.00           C  
HETATM   15  C   UNL     1       6.863  -2.080   0.499  1.00  0.00           C  
HETATM   16  C   UNL     1       6.488  -3.373  -1.606  1.00  0.00           C  
HETATM   17  N   UNL     1       3.125  -3.436  -0.905  1.00  0.00           N  
HETATM   18  C   UNL     1       2.404  -4.488  -0.152  1.00  0.00           C  
HETATM   19  C   UNL     1       1.052  -4.691  -0.787  1.00  0.00           C  
HETATM   20  O   UNL     1       0.961  -4.953  -1.968  1.00  0.00           O  
HETATM   21  C   UNL     1       2.227  -4.049   1.303  1.00  0.00           C  
HETATM   22  C   UNL     1       1.588  -2.684   1.342  1.00  0.00           C  
HETATM   23  O   UNL     1       1.306  -2.120   0.311  1.00  0.00           O  
HETATM   24  O   UNL     1       1.332  -2.096   2.521  1.00  0.00           O  
HETATM   25  N   UNL     1      -0.065  -4.578  -0.018  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.360  -4.779  -0.697  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.418  -3.986   0.027  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.433  -3.940   1.238  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.727  -6.264  -0.673  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.992  -6.491  -1.503  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.978  -6.704   0.770  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.693  -6.206  -2.976  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.358  -3.321  -0.706  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.361  -2.566   0.078  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.655  -1.270  -0.634  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.697  -1.230  -1.845  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.807  -2.272   1.473  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.480  -1.568   1.348  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.064  -1.248   0.255  1.00  0.00           O  
HETATM   40  N   UNL     1      -1.756  -1.295   2.451  1.00  0.00           N  
HETATM   41  N   UNL     1      -4.872  -0.146   0.102  1.00  0.00           N  
HETATM   42  C   UNL     1      -5.157   1.092  -0.649  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.477   2.247   0.040  1.00  0.00           C  
HETATM   44  O   UNL     1      -4.223   2.197   1.225  1.00  0.00           O  
HETATM   45  C   UNL     1      -6.667   1.334  -0.685  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.206   1.361   0.722  1.00  0.00           C  
HETATM   47  O   UNL     1      -6.456   1.199   1.661  1.00  0.00           O  
HETATM   48  N   UNL     1      -8.520   1.565   0.937  1.00  0.00           N  
HETATM   49  N   UNL     1      -4.153   3.352  -0.693  1.00  0.00           N  
HETATM   50  C   UNL     1      -3.485   4.442   0.053  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.152   4.721  -0.592  1.00  0.00           C  
HETATM   52  O   UNL     1      -1.910   4.306  -1.706  1.00  0.00           O  
HETATM   53  C   UNL     1      -3.273   4.014   1.507  1.00  0.00           C  
HETATM   54  C   UNL     1      -2.269   2.891   1.558  1.00  0.00           C  
HETATM   55  O   UNL     1      -1.773   2.474   0.533  1.00  0.00           O  
HETATM   56  N   UNL     1      -1.924   2.349   2.743  1.00  0.00           N  
HETATM   57  N   UNL     1      -1.223   5.444   0.091  1.00  0.00           N  
HETATM   58  C   UNL     1       0.066   5.678  -0.589  1.00  0.00           C  
HETATM   59  C   UNL     1      -0.068   5.345  -2.053  1.00  0.00           C  
HETATM   60  O   UNL     1       0.485   4.365  -2.505  1.00  0.00           O  
HETATM   61  C   UNL     1       1.130   4.780   0.045  1.00  0.00           C  
HETATM   62  S   UNL     1       2.701   5.023  -0.809  1.00  0.00           S  
HETATM   63  N   UNL     1      -0.803   6.137  -2.859  1.00  0.00           N  
HETATM   64  H   UNL     1       8.509   3.553   2.547  1.00  0.00           H  
HETATM   65  H   UNL     1       9.175   1.902   2.498  1.00  0.00           H  
HETATM   66  H   UNL     1       9.132   2.889   1.017  1.00  0.00           H  
HETATM   67  H   UNL     1       7.020   3.152  -0.089  1.00  0.00           H  
HETATM   68  H   UNL     1       4.714   1.830   1.118  1.00  0.00           H  
HETATM   69  H   UNL     1       5.222   3.463  -1.373  1.00  0.00           H  
HETATM   70  H   UNL     1       3.756   2.459  -1.263  1.00  0.00           H  
HETATM   71  H   UNL     1       3.317   3.560   1.001  1.00  0.00           H  
HETATM   72  H   UNL     1       4.623   4.702   0.605  1.00  0.00           H  
HETATM   73  H   UNL     1       4.028  -0.319   0.601  1.00  0.00           H  
HETATM   74  H   UNL     1       4.456  -1.522  -1.905  1.00  0.00           H  
HETATM   75  H   UNL     1       6.863  -1.255  -1.491  1.00  0.00           H  
HETATM   76  H   UNL     1       6.317  -2.837   1.062  1.00  0.00           H  
HETATM   77  H   UNL     1       7.921  -2.341   0.471  1.00  0.00           H  
HETATM   78  H   UNL     1       6.741  -1.110   0.982  1.00  0.00           H  
HETATM   79  H   UNL     1       6.171  -3.304  -2.646  1.00  0.00           H  
HETATM   80  H   UNL     1       7.536  -3.670  -1.564  1.00  0.00           H  
HETATM   81  H   UNL     1       5.879  -4.115  -1.089  1.00  0.00           H  
HETATM   82  H   UNL     1       2.945  -3.254  -1.840  1.00  0.00           H  
HETATM   83  H   UNL     1       2.970  -5.418  -0.190  1.00  0.00           H  
HETATM   84  H   UNL     1       1.590  -4.763   1.823  1.00  0.00           H  
HETATM   85  H   UNL     1       3.201  -4.007   1.790  1.00  0.00           H  
HETATM   86  H   UNL     1       0.921  -1.222   2.495  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.013  -4.376   0.930  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.288  -4.435  -1.729  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.907  -6.848  -1.093  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.319  -7.524  -1.392  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.779  -5.821  -1.156  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.797  -6.121   1.191  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.239  -7.762   0.788  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.076  -6.543   1.362  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.958  -6.922  -3.343  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.611  -6.298  -3.557  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.298  -5.195  -3.078  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.368  -3.342  -1.676  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.277  -3.152   0.162  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.506  -1.635   2.015  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.673  -3.207   2.015  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.089  -1.551   3.326  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.902  -0.842   2.371  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.841  -0.159   1.071  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.776   0.998  -1.666  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.871   2.288  -1.171  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.150   0.532  -1.243  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.120   1.695   0.186  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.867   1.583   1.843  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.346   3.418  -1.642  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.102   5.340   0.020  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.901   4.860   2.084  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.220   3.674   1.927  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.321   2.683   3.563  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.278   1.627   2.776  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.399   5.788   0.981  1.00  0.00           H  
HETATM  117  H   UNL     1       0.353   6.724  -0.477  1.00  0.00           H  
HETATM  118  H   UNL     1       1.235   5.032   1.101  1.00  0.00           H  
HETATM  119  H   UNL     1       0.829   3.737  -0.051  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.245   6.921  -2.498  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.889   5.923  -3.802  1.00  0.00           H  
CONECT    1    9   64   65   66                                       
CONECT    2    6    9   67                                            
CONECT    3    9    9                                                 
CONECT    4    5    5                                                 
CONECT    5    6    4    4   10                                       
CONECT    6    7    2    5   68                                       
CONECT    7    8    6   69   70                                       
CONECT    8    7   71   72   62                                       
CONECT    9    2    1    3    3                                       
CONECT   10   11   73    5                                            
CONECT   11   10   12   14   74                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   75                                       
CONECT   15   14   76   77   78                                       
CONECT   16   14   79   80   81                                       
CONECT   17   18   82   12                                            
CONECT   18   17   19   21   83                                       
CONECT   19   18   20   20   25                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   84   85                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   86                                                 
CONECT   25   26   87   19                                            
CONECT   26   25   27   29   88                                       
CONECT   27   26   28   28   33                                       
CONECT   28   27   27                                                 
CONECT   29   26   30   31   89                                       
CONECT   30   29   32   90   91                                       
CONECT   31   29   92   93   94                                       
CONECT   32   30   95   96   97                                       
CONECT   33   34   98   27                                            
CONECT   34   33   35   37   99                                       
CONECT   35   34   36   36   41                                       
CONECT   36   35   35                                                 
CONECT   37   34   38  100  101                                       
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38  102  103                                            
CONECT   41   42  104   35                                            
CONECT   42   41   43   45  105                                       
CONECT   43   42   44   44   49                                       
CONECT   44   43   43                                                 
CONECT   45   42   46  106  107                                       
CONECT   46   45   47   47   48                                       
CONECT   47   46   46                                                 
CONECT   48   46  108  109                                            
CONECT   49   50  110   43                                            
CONECT   50   49   51   53  111                                       
CONECT   51   50   52   52   57                                       
CONECT   52   51   51                                                 
CONECT   53   50   54  112  113                                       
CONECT   54   53   55   55   56                                       
CONECT   55   54   54                                                 
CONECT   56   54  114  115                                            
CONECT   57   58  116   51                                            
CONECT   58   57   59   61  117                                       
CONECT   59   58   60   60   63                                       
CONECT   60   59   59                                                 
CONECT   61   58   62  118  119                                       
CONECT   62   61    8                                                 
CONECT   63   59  120  121                                            
CONECT   64    1                                                      
CONECT   65    1                                                      
CONECT   66    1                                                      
CONECT   67    2                                                      
CONECT   68    6                                                      
CONECT   69    7                                                      
CONECT   70    7                                                      
CONECT   71    8                                                      
CONECT   72    8                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   15                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   17                                                      
CONECT   83   18                                                      
CONECT   84   21                                                      
CONECT   85   21                                                      
CONECT   86   24                                                      
CONECT   87   25                                                      
CONECT   88   26                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   31                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   32                                                      
CONECT   97   32                                                      
CONECT   98   33                                                      
CONECT   99   34                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   40                                                      
CONECT  103   40                                                      
CONECT  104   41                                                      
CONECT  105   42                                                      
CONECT  106   45                                                      
CONECT  107   45                                                      
CONECT  108   48                                                      
CONECT  109   48                                                      
CONECT  110   49                                                      
CONECT  111   50                                                      
CONECT  112   53                                                      
CONECT  113   53                                                      
CONECT  114   56                                                      
CONECT  115   56                                                      
CONECT  116   57                                                      
CONECT  117   58                                                      
CONECT  118   61                                                      
CONECT  119   61                                                      
CONECT  120   63                                                      
CONECT  121   63                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
