COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.551   3.353   1.258  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.706   2.360   1.365  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.488   2.388   0.799  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.581   1.247   0.950  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.095   3.491   0.077  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.998   4.570  -0.045  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.254   4.463   0.576  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.165   5.486   0.484  1.00  0.00           N  
HETATM    9  N   UNL     1      -3.377   5.503  -0.786  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.183   5.048  -1.102  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.003   3.837  -0.588  1.00  0.00           N  
HETATM   12  C   UNL     1      -9.937  -2.807  -0.097  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.816  -1.074  -0.067  1.00  0.00           N  
HETATM   14  O   UNL     1     -11.444   0.491  -0.438  1.00  0.00           O  
HETATM   15  C   UNL     1      -9.163  -0.128  -0.272  1.00  0.00           C  
HETATM   16  O   UNL     1     -12.204  -2.147  -0.276  1.00  0.00           O  
HETATM   17  C   UNL     1     -10.885  -1.818  -0.227  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.577  -2.466  -0.046  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.191  -1.114  -0.134  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.499  -0.476  -0.310  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.341  -2.364   0.077  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.392  -3.227   0.086  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.927  -2.743   0.199  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.984   1.842  -0.517  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.624  -3.901   0.418  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.966  -1.807   0.069  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.207  -0.371  -0.092  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.589  -2.065   0.073  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.922  -3.292   0.206  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.855  -0.909  -0.079  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.809   0.259  -0.196  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.547  -3.357   0.188  1.00  0.00           C  
HETATM   33  C   UNL     1       0.207  -2.192   0.034  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.453  -0.957  -0.101  1.00  0.00           C  
HETATM   35  C   UNL     1       1.756  -0.586  -0.187  1.00  0.00           C  
HETATM   36  C   UNL     1       0.548   0.034  -0.238  1.00  0.00           C  
HETATM   37  C   UNL     1       3.062   0.080  -0.292  1.00  0.00           C  
HETATM   38  N   UNL     1       1.561  -1.943  -0.020  1.00  0.00           N  
HETATM   39  O   UNL     1       0.079  -4.557   0.319  1.00  0.00           O  
HETATM   40  O   UNL     1       3.120   1.287  -0.436  1.00  0.00           O  
HETATM   41  N   UNL     1       4.196  -0.645  -0.227  1.00  0.00           N  
HETATM   42  O   UNL     1      11.766  -2.260   0.089  1.00  0.00           O  
HETATM   43  C   UNL     1       4.256  -2.109  -0.175  1.00  0.00           C  
HETATM   44  C   UNL     1       5.755  -2.444  -0.111  1.00  0.00           C  
HETATM   45  C   UNL     1       5.492  -0.112  -0.207  1.00  0.00           C  
HETATM   46  C   UNL     1       6.447  -1.100  -0.134  1.00  0.00           C  
HETATM   47  C   UNL     1       7.811  -0.767  -0.098  1.00  0.00           C  
HETATM   48  C   UNL     1       5.895   1.237  -0.246  1.00  0.00           C  
HETATM   49  C   UNL     1       7.233   1.578  -0.217  1.00  0.00           C  
HETATM   50  C   UNL     1       8.206   0.583  -0.131  1.00  0.00           C  
HETATM   51  C   UNL     1       8.993  -1.543  -0.030  1.00  0.00           C  
HETATM   52  C   UNL     1      10.050  -0.688  -0.023  1.00  0.00           C  
HETATM   53  C   UNL     1      11.465  -1.082   0.039  1.00  0.00           C  
HETATM   54  C   UNL     1      14.194  -0.902   0.126  1.00  0.00           C  
HETATM   55  N   UNL     1       9.583   0.611  -0.084  1.00  0.00           N  
HETATM   56  O   UNL     1       4.953   2.216  -0.315  1.00  0.00           O  
HETATM   57  O   UNL     1       7.601   2.887  -0.257  1.00  0.00           O  
HETATM   58  C   UNL     1       7.736   3.562   0.995  1.00  0.00           C  
HETATM   59  S   UNL     1      12.724   0.150   0.040  1.00  0.00           S  
HETATM   60  H   UNL     1      -4.998   1.486   1.928  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.549   1.598   0.928  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.776   0.751   1.901  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.943   6.289  -0.013  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.030   5.406   0.915  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.456   5.582  -1.695  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.239  -3.842  -0.029  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.272  -0.272  -0.103  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.873   0.910  -0.340  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.635  -2.173   0.589  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.332  -4.301   0.178  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.332   1.954  -1.383  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.839   2.512  -0.617  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.432   2.091   0.389  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.776  -0.182  -1.002  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.736   0.023   0.776  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.496  -4.199   0.325  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.688   0.759  -1.157  1.00  0.00           H  
HETATM   78  H   UNL     1       0.382   1.094  -0.361  1.00  0.00           H  
HETATM   79  H   UNL     1       2.261  -2.611   0.047  1.00  0.00           H  
HETATM   80  H   UNL     1       0.243  -5.009  -0.520  1.00  0.00           H  
HETATM   81  H   UNL     1       3.748  -2.477   0.716  1.00  0.00           H  
HETATM   82  H   UNL     1       3.809  -2.538  -1.071  1.00  0.00           H  
HETATM   83  H   UNL     1       5.987  -2.976   0.812  1.00  0.00           H  
HETATM   84  H   UNL     1       6.049  -3.038  -0.977  1.00  0.00           H  
HETATM   85  H   UNL     1       9.046  -2.621   0.009  1.00  0.00           H  
HETATM   86  H   UNL     1      14.159  -1.501   1.037  1.00  0.00           H  
HETATM   87  H   UNL     1      14.220  -1.561  -0.741  1.00  0.00           H  
HETATM   88  H   UNL     1      15.087  -0.278   0.136  1.00  0.00           H  
HETATM   89  H   UNL     1      10.132   1.411  -0.093  1.00  0.00           H  
HETATM   90  H   UNL     1       4.653   2.533   0.548  1.00  0.00           H  
HETATM   91  H   UNL     1       8.033   4.596   0.821  1.00  0.00           H  
HETATM   92  H   UNL     1       6.783   3.542   1.524  1.00  0.00           H  
HETATM   93  H   UNL     1       8.495   3.062   1.597  1.00  0.00           H  
CONECT    1    7    2    2                                            
CONECT    2    3    1    1   60                                       
CONECT    3    5    4    2                                            
CONECT    4   31    3   61   62                                       
CONECT    5   11   11    6    3                                       
CONECT    6    9    5    7    7                                       
CONECT    7    6    6    8    1                                       
CONECT    8    7   63   64                                            
CONECT    9   10   10    6                                            
CONECT   10   11    9    9   65                                       
CONECT   11   10    5    5                                            
CONECT   12   17   18   18   66                                       
CONECT   13   19   21   67                                            
CONECT   14   24   20                                                 
CONECT   15   20   19   19   68                                       
CONECT   16   17   69                                                 
CONECT   17   16   20   20   12                                       
CONECT   18   12   12   19   22                                       
CONECT   19   15   15   18   13                                       
CONECT   20   14   17   17   15                                       
CONECT   21   13   22   22   23                                       
CONECT   22   18   21   21   70                                       
CONECT   23   21   25   25   26                                       
CONECT   24   14   71   72   73                                       
CONECT   25   23   23                                                 
CONECT   26   23   27   28                                            
CONECT   27   26   31   74   75                                       
CONECT   28   26   29   29   30                                       
CONECT   29   28   28   32   76                                       
CONECT   30   28   31   34   34                                       
CONECT   31   27    4   30   77                                       
CONECT   32   29   39   33   33                                       
CONECT   33   32   32   34   38                                       
CONECT   34   30   30   33   36                                       
CONECT   35   36   36   38   37                                       
CONECT   36   34   35   35   78                                       
CONECT   37   35   40   40   41                                       
CONECT   38   33   35   79                                            
CONECT   39   32   80                                                 
CONECT   40   37   37                                                 
CONECT   41   37   43   45                                            
CONECT   42   53   53                                                 
CONECT   43   41   44   81   82                                       
CONECT   44   43   46   83   84                                       
CONECT   45   41   46   46   48                                       
CONECT   46   44   45   45   47                                       
CONECT   47   46   51   50   50                                       
CONECT   48   45   56   49   49                                       
CONECT   49   48   48   50   57                                       
CONECT   50   47   47   49   55                                       
CONECT   51   47   52   52   85                                       
CONECT   52   51   51   55   53                                       
CONECT   53   52   59   42   42                                       
CONECT   54   59   86   87   88                                       
CONECT   55   50   52   89                                            
CONECT   56   48   90                                                 
CONECT   57   49   58                                                 
CONECT   58   57   91   92   93                                       
CONECT   59   53   54                                                 
CONECT   60    2                                                      
CONECT   61    4                                                      
CONECT   62    4                                                      
CONECT   63    8                                                      
CONECT   64    8                                                      
CONECT   65   10                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   29                                                      
CONECT   77   31                                                      
CONECT   78   36                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   43                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
CONECT   85   51                                                      
CONECT   86   54                                                      
CONECT   87   54                                                      
CONECT   88   54                                                      
CONECT   89   55                                                      
CONECT   90   56                                                      
CONECT   91   58                                                      
CONECT   92   58                                                      
CONECT   93   58                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
