COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      18.859  -0.438  -2.727  1.00  0.00           C  
HETATM    2  C   UNL     1      15.706  -0.910  -0.606  1.00  0.00           C  
HETATM    3  C   UNL     1      13.418  -1.381   0.281  1.00  0.00           C  
HETATM    4  C   UNL     1      11.130  -1.851   1.168  1.00  0.00           C  
HETATM    5  C   UNL     1       7.142  -3.003   1.019  1.00  0.00           C  
HETATM    6  C   UNL     1       5.911  -3.175   1.912  1.00  0.00           C  
HETATM    7  C   UNL     1       3.588  -3.874   1.684  1.00  0.00           C  
HETATM    8  C   UNL     1       2.429  -4.363   0.854  1.00  0.00           C  
HETATM    9  P   UNL     1      -6.873  -3.839  -0.985  1.00  0.00           P  
HETATM   10  P   UNL     1      -8.864  -1.734  -1.610  1.00  0.00           P  
HETATM   11  P   UNL     1     -14.540   0.941  -0.212  1.00  0.00           P  
HETATM   12  C   UNL     1      25.525   7.004   1.729  1.00  0.00           C  
HETATM   13  C   UNL     1      24.069   6.605   1.481  1.00  0.00           C  
HETATM   14  C   UNL     1      24.023   5.409   0.528  1.00  0.00           C  
HETATM   15  C   UNL     1      22.567   5.010   0.280  1.00  0.00           C  
HETATM   16  C   UNL     1      22.522   3.814  -0.674  1.00  0.00           C  
HETATM   17  C   UNL     1      21.066   3.415  -0.922  1.00  0.00           C  
HETATM   18  C   UNL     1      21.020   2.219  -1.875  1.00  0.00           C  
HETATM   19  C   UNL     1      19.564   1.820  -2.124  1.00  0.00           C  
HETATM   20  C   UNL     1      19.519   0.642  -3.063  1.00  0.00           C  
HETATM   21  C   UNL     1      17.994  -0.440  -1.493  1.00  0.00           C  
HETATM   22  C   UNL     1      16.584  -0.909  -1.859  1.00  0.00           C  
HETATM   23  C   UNL     1      14.297  -1.379  -0.972  1.00  0.00           C  
HETATM   24  C   UNL     1      12.009  -1.849  -0.085  1.00  0.00           C  
HETATM   25  C   UNL     1       9.742  -2.313   0.807  1.00  0.00           C  
HETATM   26  O   UNL     1       9.480  -2.611  -0.339  1.00  0.00           O  
HETATM   27  S   UNL     1       8.534  -2.416   2.016  1.00  0.00           S  
HETATM   28  N   UNL     1       4.785  -3.650   1.105  1.00  0.00           N  
HETATM   29  O   UNL     1       3.444  -3.681   2.873  1.00  0.00           O  
HETATM   30  C   UNL     1       1.199  -4.534   1.747  1.00  0.00           C  
HETATM   31  N   UNL     1       0.072  -5.010   0.940  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.124  -5.233   1.519  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.245  -5.130   2.721  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.312  -5.611   0.672  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.886  -5.836  -0.673  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.339  -4.477   0.698  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.819  -4.258   2.134  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.694  -3.193   0.174  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.530  -4.847  -0.187  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.489  -3.788  -0.163  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.798  -5.022  -0.405  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.588  -4.091  -2.415  1.00  0.00           O  
HETATM   43  O   UNL     1      -7.641  -2.432  -0.830  1.00  0.00           O  
HETATM   44  O   UNL     1      -8.352  -1.195  -3.038  1.00  0.00           O  
HETATM   45  O   UNL     1      -9.946  -2.723  -1.815  1.00  0.00           O  
HETATM   46  O   UNL     1      -9.422  -0.501  -0.739  1.00  0.00           O  
HETATM   47  C   UNL     1     -10.575   0.257  -1.112  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.826   1.349  -0.069  1.00  0.00           C  
HETATM   49  O   UNL     1      -9.796   2.359  -0.140  1.00  0.00           O  
HETATM   50  C   UNL     1     -10.367   3.529   0.485  1.00  0.00           C  
HETATM   51  C   UNL     1     -11.829   3.568  -0.011  1.00  0.00           C  
HETATM   52  O   UNL     1     -12.700   4.014   1.031  1.00  0.00           O  
HETATM   53  C   UNL     1     -12.138   2.101  -0.384  1.00  0.00           C  
HETATM   54  O   UNL     1     -13.209   1.596   0.416  1.00  0.00           O  
HETATM   55  O   UNL     1     -15.354   2.062  -1.032  1.00  0.00           O  
HETATM   56  O   UNL     1     -14.164  -0.162  -1.124  1.00  0.00           O  
HETATM   57  O   UNL     1     -15.465   0.366   0.973  1.00  0.00           O  
HETATM   58  N   UNL     1      -9.652   4.734   0.059  1.00  0.00           N  
HETATM   59  C   UNL     1      -8.928   4.881  -1.087  1.00  0.00           C  
HETATM   60  N   UNL     1      -8.428   6.081  -1.147  1.00  0.00           N  
HETATM   61  C   UNL     1      -8.798   6.779  -0.046  1.00  0.00           C  
HETATM   62  C   UNL     1      -8.565   8.083   0.421  1.00  0.00           C  
HETATM   63  N   UNL     1      -7.796   8.971  -0.311  1.00  0.00           N  
HETATM   64  N   UNL     1      -9.101   8.445   1.582  1.00  0.00           N  
HETATM   65  C   UNL     1      -9.836   7.605   2.287  1.00  0.00           C  
HETATM   66  N   UNL     1     -10.081   6.375   1.889  1.00  0.00           N  
HETATM   67  C   UNL     1      -9.592   5.925   0.738  1.00  0.00           C  
HETATM   68  H   UNL     1      18.932  -1.327  -3.337  1.00  0.00           H  
HETATM   69  H   UNL     1      16.133  -1.586   0.136  1.00  0.00           H  
HETATM   70  H   UNL     1      15.659   0.098  -0.194  1.00  0.00           H  
HETATM   71  H   UNL     1      13.845  -2.056   1.023  1.00  0.00           H  
HETATM   72  H   UNL     1      13.371  -0.373   0.693  1.00  0.00           H  
HETATM   73  H   UNL     1      11.557  -2.527   1.910  1.00  0.00           H  
HETATM   74  H   UNL     1      11.083  -0.843   1.579  1.00  0.00           H  
HETATM   75  H   UNL     1       7.398  -3.961   0.566  1.00  0.00           H  
HETATM   76  H   UNL     1       6.924  -2.277   0.236  1.00  0.00           H  
HETATM   77  H   UNL     1       6.129  -3.901   2.695  1.00  0.00           H  
HETATM   78  H   UNL     1       5.655  -2.217   2.365  1.00  0.00           H  
HETATM   79  H   UNL     1       2.211  -3.637   0.071  1.00  0.00           H  
HETATM   80  H   UNL     1       2.685  -5.320   0.401  1.00  0.00           H  
HETATM   81  H   UNL     1      25.557   7.856   2.408  1.00  0.00           H  
HETATM   82  H   UNL     1      26.061   6.165   2.173  1.00  0.00           H  
HETATM   83  H   UNL     1      25.994   7.275   0.783  1.00  0.00           H  
HETATM   84  H   UNL     1      23.600   6.333   2.427  1.00  0.00           H  
HETATM   85  H   UNL     1      23.533   7.444   1.037  1.00  0.00           H  
HETATM   86  H   UNL     1      24.492   5.680  -0.418  1.00  0.00           H  
HETATM   87  H   UNL     1      24.559   4.570   0.971  1.00  0.00           H  
HETATM   88  H   UNL     1      22.099   4.739   1.225  1.00  0.00           H  
HETATM   89  H   UNL     1      22.031   5.849  -0.164  1.00  0.00           H  
HETATM   90  H   UNL     1      22.990   4.085  -1.620  1.00  0.00           H  
HETATM   91  H   UNL     1      23.058   2.975  -0.230  1.00  0.00           H  
HETATM   92  H   UNL     1      20.597   3.144   0.024  1.00  0.00           H  
HETATM   93  H   UNL     1      20.530   4.254  -1.366  1.00  0.00           H  
HETATM   94  H   UNL     1      21.489   2.490  -2.821  1.00  0.00           H  
HETATM   95  H   UNL     1      21.556   1.380  -1.432  1.00  0.00           H  
HETATM   96  H   UNL     1      19.095   1.549  -1.178  1.00  0.00           H  
HETATM   97  H   UNL     1      19.028   2.659  -2.567  1.00  0.00           H  
HETATM   98  H   UNL     1      20.031   0.689  -4.012  1.00  0.00           H  
HETATM   99  H   UNL     1      18.421  -1.115  -0.751  1.00  0.00           H  
HETATM  100  H   UNL     1      17.947   0.568  -1.081  1.00  0.00           H  
HETATM  101  H   UNL     1      16.632  -1.917  -2.270  1.00  0.00           H  
HETATM  102  H   UNL     1      16.158  -0.233  -2.601  1.00  0.00           H  
HETATM  103  H   UNL     1      13.870  -0.704  -1.714  1.00  0.00           H  
HETATM  104  H   UNL     1      14.344  -2.387  -1.383  1.00  0.00           H  
HETATM  105  H   UNL     1      11.582  -1.174  -0.827  1.00  0.00           H  
HETATM  106  H   UNL     1      12.056  -2.858  -0.497  1.00  0.00           H  
HETATM  107  H   UNL     1       4.900  -3.804   0.154  1.00  0.00           H  
HETATM  108  H   UNL     1       1.417  -5.260   2.530  1.00  0.00           H  
HETATM  109  H   UNL     1       0.943  -3.576   2.200  1.00  0.00           H  
HETATM  110  H   UNL     1       0.187  -5.163  -0.011  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.765  -6.521   1.067  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.472  -5.067  -1.089  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.001  -3.859   2.734  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.649  -3.551   2.135  1.00  0.00           H  
HETATM  115  H   UNL     1      -4.150  -5.207   2.556  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.351  -3.349  -0.849  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.425  -2.385   0.193  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.845  -2.929   0.805  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.188  -5.004  -1.210  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.990  -5.762   0.186  1.00  0.00           H  
HETATM  121  H   UNL     1      -8.025  -4.922   0.529  1.00  0.00           H  
HETATM  122  H   UNL     1      -7.641  -0.542  -2.980  1.00  0.00           H  
HETATM  123  H   UNL     1     -10.408   0.717  -2.086  1.00  0.00           H  
HETATM  124  H   UNL     1     -11.441  -0.402  -1.164  1.00  0.00           H  
HETATM  125  H   UNL     1     -10.867   0.916   0.930  1.00  0.00           H  
HETATM  126  H   UNL     1     -10.335   3.433   1.570  1.00  0.00           H  
HETATM  127  H   UNL     1     -11.919   4.213  -0.885  1.00  0.00           H  
HETATM  128  H   UNL     1     -12.511   4.908   1.345  1.00  0.00           H  
HETATM  129  H   UNL     1     -12.381   2.019  -1.444  1.00  0.00           H  
HETATM  130  H   UNL     1     -15.632   2.817  -0.496  1.00  0.00           H  
HETATM  131  H   UNL     1     -16.286  -0.044   0.668  1.00  0.00           H  
HETATM  132  H   UNL     1      -8.790   4.114  -1.834  1.00  0.00           H  
HETATM  133  H   UNL     1      -7.410   8.695  -1.157  1.00  0.00           H  
HETATM  134  H   UNL     1      -7.642   9.869   0.023  1.00  0.00           H  
HETATM  135  H   UNL     1     -10.252   7.940   3.226  1.00  0.00           H  
CONECT    1   20   20   21   68                                       
CONECT    2   22   23   69   70                                       
CONECT    3   23   24   71   72                                       
CONECT    4   24   25   73   74                                       
CONECT    5   27    6   75   76                                       
CONECT    6    5   28   77   78                                       
CONECT    7   28   29   29    8                                       
CONECT    8    7   30   79   80                                       
CONECT    9   43   40   42   42                                       
CONECT    9   41                                                      
CONECT   10   46   43   45   45                                       
CONECT   10   44                                                      
CONECT   11   56   56   54   55                                       
CONECT   11   57                                                      
CONECT   12   13   81   82   83                                       
CONECT   13   14   12   84   85                                       
CONECT   14   13   15   86   87                                       
CONECT   15   14   16   88   89                                       
CONECT   16   15   17   90   91                                       
CONECT   17   16   18   92   93                                       
CONECT   18   17   19   94   95                                       
CONECT   19   18   20   96   97                                       
CONECT   20   19    1    1   98                                       
CONECT   21    1   22   99  100                                       
CONECT   22   21    2  101  102                                       
CONECT   23    2    3  103  104                                       
CONECT   24    3    4  105  106                                       
CONECT   25   26   26    4   27                                       
CONECT   26   25   25                                                 
CONECT   27   25    5                                                 
CONECT   28    6    7  107                                            
CONECT   29    7    7                                                 
CONECT   30    8   31  108  109                                       
CONECT   31   30   32  110                                            
CONECT   32   33   33   31   34                                       
CONECT   33   32   32                                                 
CONECT   34   35   32   36  111                                       
CONECT   35   34  112                                                 
CONECT   36   37   34   39   38                                       
CONECT   37   36  113  114  115                                       
CONECT   38   36  116  117  118                                       
CONECT   39   36   40  119  120                                       
CONECT   40   39    9                                                 
CONECT   41    9  121                                                 
CONECT   42    9    9                                                 
CONECT   43   10    9                                                 
CONECT   44   10  122                                                 
CONECT   45   10   10                                                 
CONECT   46   47   10                                                 
CONECT   47   48   46  123  124                                       
CONECT   48   49   47   53  125                                       
CONECT   49   48   50                                                 
CONECT   50   49   58   51  126                                       
CONECT   51   50   53   52  127                                       
CONECT   52   51  128                                                 
CONECT   53   48   54   51  129                                       
CONECT   54   11   53                                                 
CONECT   55   11  130                                                 
CONECT   56   11   11                                                 
CONECT   57   11  131                                                 
CONECT   58   67   50   59                                            
CONECT   59   58   60   60  132                                       
CONECT   60   61   59   59                                            
CONECT   61   62   62   67   60                                       
CONECT   62   64   63   61   61                                       
CONECT   63   62  133  134                                            
CONECT   64   65   65   62                                            
CONECT   65   64   64   66  135                                       
CONECT   66   65   67   67                                            
CONECT   67   66   66   61   58                                       
CONECT   68    1                                                      
CONECT   69    2                                                      
CONECT   70    2                                                      
CONECT   71    3                                                      
CONECT   72    3                                                      
CONECT   73    4                                                      
CONECT   74    4                                                      
CONECT   75    5                                                      
CONECT   76    5                                                      
CONECT   77    6                                                      
CONECT   78    6                                                      
CONECT   79    8                                                      
CONECT   80    8                                                      
CONECT   81   12                                                      
CONECT   82   12                                                      
CONECT   83   12                                                      
CONECT   84   13                                                      
CONECT   85   13                                                      
CONECT   86   14                                                      
CONECT   87   14                                                      
CONECT   88   15                                                      
CONECT   89   15                                                      
CONECT   90   16                                                      
CONECT   91   16                                                      
CONECT   92   17                                                      
CONECT   93   17                                                      
CONECT   94   18                                                      
CONECT   95   18                                                      
CONECT   96   19                                                      
CONECT   97   19                                                      
CONECT   98   20                                                      
CONECT   99   21                                                      
CONECT  100   21                                                      
CONECT  101   22                                                      
CONECT  102   22                                                      
CONECT  103   23                                                      
CONECT  104   23                                                      
CONECT  105   24                                                      
CONECT  106   24                                                      
CONECT  107   28                                                      
CONECT  108   30                                                      
CONECT  109   30                                                      
CONECT  110   31                                                      
CONECT  111   34                                                      
CONECT  112   35                                                      
CONECT  113   37                                                      
CONECT  114   37                                                      
CONECT  115   37                                                      
CONECT  116   38                                                      
CONECT  117   38                                                      
CONECT  118   38                                                      
CONECT  119   39                                                      
CONECT  120   39                                                      
CONECT  121   41                                                      
CONECT  122   44                                                      
CONECT  123   47                                                      
CONECT  124   47                                                      
CONECT  125   48                                                      
CONECT  126   50                                                      
CONECT  127   51                                                      
CONECT  128   52                                                      
CONECT  129   53                                                      
CONECT  130   55                                                      
CONECT  131   57                                                      
CONECT  132   59                                                      
CONECT  133   63                                                      
CONECT  134   63                                                      
CONECT  135   65                                                      
MASTER        0    0    0    0    0    0    0    0  135    0  135    0
END
