COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       9.031   2.316  -2.279  1.00  0.00           S  
HETATM    2  C   UNL     1       7.683   2.631  -1.113  1.00  0.00           C  
HETATM    3  C   UNL     1       6.516   3.293  -1.849  1.00  0.00           C  
HETATM    4  N   UNL     1       5.425   3.548  -0.905  1.00  0.00           N  
HETATM    5  C   UNL     1       4.286   4.128  -1.332  1.00  0.00           C  
HETATM    6  O   UNL     1       4.164   4.439  -2.497  1.00  0.00           O  
HETATM    7  C   UNL     1       3.164   4.391  -0.360  1.00  0.00           C  
HETATM    8  C   UNL     1       1.997   5.052  -1.096  1.00  0.00           C  
HETATM    9  N   UNL     1       0.906   5.307  -0.152  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.233   5.888  -0.579  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.320   6.284  -1.722  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.398   6.045   0.364  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.972   5.764   1.698  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.510   5.072  -0.032  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.629   5.126   1.009  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.068   5.466  -1.401  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.944   3.652  -0.101  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.244  -7.947  -1.382  1.00  0.00           N  
HETATM   19  O   UNL     1      -9.488   2.788   1.250  1.00  0.00           O  
HETATM   20  P   UNL     1      -8.126   1.944   1.400  1.00  0.00           P  
HETATM   21  C   UNL     1      -7.910  -3.556  -0.614  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.104  -7.352  -2.188  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.914   1.598   2.823  1.00  0.00           O  
HETATM   24  P   UNL     1      -6.006   4.012   1.511  1.00  0.00           P  
HETATM   25  C   UNL     1      10.172   1.595  -1.227  1.00  0.00           C  
HETATM   26  O   UNL     1       9.906   1.447  -0.052  1.00  0.00           O  
HETATM   27  C   UNL     1      -9.350  -3.990  -0.260  1.00  0.00           C  
HETATM   28  O   UNL     1      -9.951  -4.674  -1.360  1.00  0.00           O  
HETATM   29  N   UNL     1      -6.715  -6.231  -1.866  1.00  0.00           N  
HETATM   30  O   UNL     1      -6.887   2.826   0.872  1.00  0.00           O  
HETATM   31  C   UNL     1      11.508   1.144  -1.759  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.084  -2.660   0.022  1.00  0.00           C  
HETATM   33  O   UNL     1     -11.163  -2.480  -0.898  1.00  0.00           O  
HETATM   34  P   UNL     1     -12.693  -2.300  -0.430  1.00  0.00           P  
HETATM   35  C   UNL     1      -6.485  -5.646  -0.695  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.640   3.661   2.901  1.00  0.00           O  
HETATM   37  C   UNL     1      12.333   0.539  -0.621  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.002  -1.580  -0.196  1.00  0.00           C  
HETATM   39  O   UNL     1      -7.748  -2.266   0.015  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.578  -6.241   0.198  1.00  0.00           C  
HETATM   41  O   UNL     1      -6.861   5.377   1.509  1.00  0.00           O  
HETATM   42  C   UNL     1      13.689   0.081  -1.161  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.167  -0.448   0.821  1.00  0.00           C  
HETATM   44  O   UNL     1      -8.232   0.593   0.530  1.00  0.00           O  
HETATM   45  C   UNL     1      -4.951  -7.437  -0.191  1.00  0.00           C  
HETATM   46  N   UNL     1      -4.049  -8.068   0.648  1.00  0.00           N  
HETATM   47  O   UNL     1      -4.668   4.216   0.639  1.00  0.00           O  
HETATM   48  C   UNL     1      14.513  -0.524  -0.023  1.00  0.00           C  
HETATM   49  N   UNL     1      -5.529  -5.454   1.300  1.00  0.00           N  
HETATM   50  O   UNL     1     -12.844  -0.928   0.397  1.00  0.00           O  
HETATM   51  C   UNL     1      15.869  -0.982  -0.563  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.328  -4.439   1.143  1.00  0.00           C  
HETATM   53  O   UNL     1     -13.648  -2.253  -1.726  1.00  0.00           O  
HETATM   54  C   UNL     1      16.694  -1.586   0.575  1.00  0.00           C  
HETATM   55  N   UNL     1      -6.941  -4.512  -0.072  1.00  0.00           N  
HETATM   56  O   UNL     1     -13.083  -3.440   0.429  1.00  0.00           O  
HETATM   57  C   UNL     1      18.050  -2.045   0.034  1.00  0.00           C  
HETATM   58  C   UNL     1      18.875  -2.649   1.172  1.00  0.00           C  
HETATM   59  C   UNL     1      20.231  -3.107   0.632  1.00  0.00           C  
HETATM   60  C   UNL     1      21.055  -3.712   1.770  1.00  0.00           C  
HETATM   61  C   UNL     1      22.412  -4.170   1.230  1.00  0.00           C  
HETATM   62  C   UNL     1      23.236  -4.775   2.368  1.00  0.00           C  
HETATM   63  C   UNL     1      24.592  -5.233   1.827  1.00  0.00           C  
HETATM   64  H   UNL     1       7.351   1.689  -0.678  1.00  0.00           H  
HETATM   65  H   UNL     1       8.035   3.293  -0.321  1.00  0.00           H  
HETATM   66  H   UNL     1       6.848   4.235  -2.284  1.00  0.00           H  
HETATM   67  H   UNL     1       6.164   2.631  -2.640  1.00  0.00           H  
HETATM   68  H   UNL     1       5.522   3.299   0.028  1.00  0.00           H  
HETATM   69  H   UNL     1       2.832   3.448   0.075  1.00  0.00           H  
HETATM   70  H   UNL     1       3.516   5.052   0.431  1.00  0.00           H  
HETATM   71  H   UNL     1       2.329   5.995  -1.531  1.00  0.00           H  
HETATM   72  H   UNL     1       1.645   4.391  -1.888  1.00  0.00           H  
HETATM   73  H   UNL     1       1.004   5.058   0.780  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.773   7.067   0.310  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.625   4.870   1.820  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.231   4.845   1.985  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.032   6.137   1.058  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.290   5.353  -2.157  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.911   4.821  -1.649  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.400   6.503  -1.374  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.546   3.372   0.874  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.737   2.959  -0.383  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.147   3.614  -0.843  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.691   3.049   0.341  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.793  -3.469  -1.694  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.313  -7.801  -3.148  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.351  -4.622   0.628  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.493  -5.486  -1.617  1.00  0.00           H  
HETATM   89  H   UNL     1      11.355   0.394  -2.535  1.00  0.00           H  
HETATM   90  H   UNL     1      12.039   1.998  -2.178  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.448  -2.635   1.049  1.00  0.00           H  
HETATM   92  H   UNL     1      12.485   1.289   0.155  1.00  0.00           H  
HETATM   93  H   UNL     1      11.801  -0.315  -0.201  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.054  -1.189  -1.212  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.136   5.667   0.628  1.00  0.00           H  
HETATM   96  H   UNL     1      13.536  -0.669  -1.937  1.00  0.00           H  
HETATM   97  H   UNL     1      14.220   0.935  -1.581  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.181  -0.053   0.762  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.983  -0.831   1.824  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.622  -8.893   0.368  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.843  -7.686   1.515  1.00  0.00           H  
HETATM  102  H   UNL     1      14.666   0.226   0.753  1.00  0.00           H  
HETATM  103  H   UNL     1      13.982  -1.378   0.396  1.00  0.00           H  
HETATM  104  H   UNL     1     -12.604  -0.137  -0.105  1.00  0.00           H  
HETATM  105  H   UNL     1      15.717  -1.732  -1.340  1.00  0.00           H  
HETATM  106  H   UNL     1      16.401  -0.127  -0.983  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.483  -3.654   1.869  1.00  0.00           H  
HETATM  108  H   UNL     1     -14.587  -2.147  -1.519  1.00  0.00           H  
HETATM  109  H   UNL     1      16.847  -0.836   1.351  1.00  0.00           H  
HETATM  110  H   UNL     1      16.163  -2.441   0.994  1.00  0.00           H  
HETATM  111  H   UNL     1      17.897  -2.794  -0.742  1.00  0.00           H  
HETATM  112  H   UNL     1      18.581  -1.190  -0.385  1.00  0.00           H  
HETATM  113  H   UNL     1      19.027  -1.899   1.949  1.00  0.00           H  
HETATM  114  H   UNL     1      18.343  -3.503   1.592  1.00  0.00           H  
HETATM  115  H   UNL     1      20.078  -3.857  -0.144  1.00  0.00           H  
HETATM  116  H   UNL     1      20.762  -2.253   0.213  1.00  0.00           H  
HETATM  117  H   UNL     1      21.208  -2.962   2.546  1.00  0.00           H  
HETATM  118  H   UNL     1      20.524  -4.566   2.190  1.00  0.00           H  
HETATM  119  H   UNL     1      22.259  -4.920   0.454  1.00  0.00           H  
HETATM  120  H   UNL     1      22.943  -3.316   0.810  1.00  0.00           H  
HETATM  121  H   UNL     1      23.389  -4.025   3.144  1.00  0.00           H  
HETATM  122  H   UNL     1      22.705  -5.629   2.787  1.00  0.00           H  
HETATM  123  H   UNL     1      24.440  -5.983   1.051  1.00  0.00           H  
HETATM  124  H   UNL     1      25.124  -4.379   1.408  1.00  0.00           H  
HETATM  125  H   UNL     1      25.180  -5.664   2.638  1.00  0.00           H  
CONECT    1   25    2                                                 
CONECT    2    1    3   64   65                                       
CONECT    3    2    4   66   67                                       
CONECT    4    3    5   68                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   69   70                                       
CONECT    8    7    9   71   72                                       
CONECT    9    8   10   73                                            
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10   14   13   74                                       
CONECT   13   12   75                                                 
CONECT   14   12   15   16   17                                       
CONECT   15   14   47   76   77                                       
CONECT   16   14   78   79   80                                       
CONECT   17   14   81   82   83                                       
CONECT   18   22   22   45                                            
CONECT   19   20   84                                                 
CONECT   20   19   44   23   23                                       
CONECT   20   30                                                      
CONECT   21   27   39   55   85                                       
CONECT   22   18   18   29   86                                       
CONECT   23   20   20                                                 
CONECT   24   30   47   36   36                                       
CONECT   24   41                                                      
CONECT   25    1   31   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   21   28   32   87                                       
CONECT   28   27   88                                                 
CONECT   29   22   35   35                                            
CONECT   30   20   24                                                 
CONECT   31   25   37   89   90                                       
CONECT   32   27   33   38   91                                       
CONECT   33   32   34                                                 
CONECT   34   33   56   56   53                                       
CONECT   34   50                                                      
CONECT   35   29   29   55   40                                       
CONECT   36   24   24                                                 
CONECT   37   31   42   92   93                                       
CONECT   38   32   39   43   94                                       
CONECT   39   21   38                                                 
CONECT   40   35   45   45   49                                       
CONECT   41   24   95                                                 
CONECT   42   37   48   96   97                                       
CONECT   43   38   44   98   99                                       
CONECT   44   20   43                                                 
CONECT   45   18   40   40   46                                       
CONECT   46   45  100  101                                            
CONECT   47   15   24                                                 
CONECT   48   42   51  102  103                                       
CONECT   49   40   52   52                                            
CONECT   50   34  104                                                 
CONECT   51   48   54  105  106                                       
CONECT   52   49   49   55  107                                       
CONECT   53   34  108                                                 
CONECT   54   51   57  109  110                                       
CONECT   55   21   35   52                                            
CONECT   56   34   34                                                 
CONECT   57   54   58  111  112                                       
CONECT   58   57   59  113  114                                       
CONECT   59   58   60  115  116                                       
CONECT   60   59   61  117  118                                       
CONECT   61   60   62  119  120                                       
CONECT   62   61   63  121  122                                       
CONECT   63   62  123  124  125                                       
CONECT   64    2                                                      
CONECT   65    2                                                      
CONECT   66    3                                                      
CONECT   67    3                                                      
CONECT   68    4                                                      
CONECT   69    7                                                      
CONECT   70    7                                                      
CONECT   71    8                                                      
CONECT   72    8                                                      
CONECT   73    9                                                      
CONECT   74   12                                                      
CONECT   75   13                                                      
CONECT   76   15                                                      
CONECT   77   15                                                      
CONECT   78   16                                                      
CONECT   79   16                                                      
CONECT   80   16                                                      
CONECT   81   17                                                      
CONECT   82   17                                                      
CONECT   83   17                                                      
CONECT   84   19                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   43                                                      
CONECT  100   46                                                      
CONECT  101   46                                                      
CONECT  102   48                                                      
CONECT  103   48                                                      
CONECT  104   50                                                      
CONECT  105   51                                                      
CONECT  106   51                                                      
CONECT  107   52                                                      
CONECT  108   53                                                      
CONECT  109   54                                                      
CONECT  110   54                                                      
CONECT  111   57                                                      
CONECT  112   57                                                      
CONECT  113   58                                                      
CONECT  114   58                                                      
CONECT  115   59                                                      
CONECT  116   59                                                      
CONECT  117   60                                                      
CONECT  118   60                                                      
CONECT  119   61                                                      
CONECT  120   61                                                      
CONECT  121   62                                                      
CONECT  122   62                                                      
CONECT  123   63                                                      
CONECT  124   63                                                      
CONECT  125   63                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
