COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.544   7.623   0.722  1.00  0.00           C  
HETATM    2  N   UNL     1       9.216   8.513   1.730  1.00  0.00           N  
HETATM    3  O   UNL     1      11.987   3.007  -1.299  1.00  0.00           O  
HETATM    4  P   UNL     1      12.521  -0.443  -2.370  1.00  0.00           P  
HETATM    5  S   UNL     1     -10.022  -1.233  -2.429  1.00  0.00           S  
HETATM    6  C   UNL     1      10.348   7.217  -1.403  1.00  0.00           C  
HETATM    7  N   UNL     1      10.032   8.058  -0.436  1.00  0.00           N  
HETATM    8  O   UNL     1      11.343   0.575  -1.962  1.00  0.00           O  
HETATM    9  P   UNL     1       7.497  -1.937   1.974  1.00  0.00           P  
HETATM   10  C   UNL     1       9.731   5.386  -0.158  1.00  0.00           C  
HETATM   11  N   UNL     1      10.201   5.914  -1.283  1.00  0.00           N  
HETATM   12  O   UNL     1      13.937   0.152  -1.887  1.00  0.00           O  
HETATM   13  P   UNL     1       4.889  -3.310   2.287  1.00  0.00           P  
HETATM   14  C   UNL     1       9.375   6.240   0.900  1.00  0.00           C  
HETATM   15  N   UNL     1       8.921   5.458   1.908  1.00  0.00           N  
HETATM   16  O   UNL     1      12.289  -1.753  -1.720  1.00  0.00           O  
HETATM   17  C   UNL     1       8.975   4.209   1.546  1.00  0.00           C  
HETATM   18  N   UNL     1       9.468   4.113   0.279  1.00  0.00           N  
HETATM   19  O   UNL     1      12.536  -0.633  -3.969  1.00  0.00           O  
HETATM   20  C   UNL     1       9.677   2.876  -0.478  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.978  -4.231  -0.025  1.00  0.00           N  
HETATM   22  O   UNL     1       8.006  -0.845   0.906  1.00  0.00           O  
HETATM   23  C   UNL     1      11.140   2.386  -0.329  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.500  -2.549  -0.923  1.00  0.00           N  
HETATM   25  O   UNL     1       8.220  -3.210   1.761  1.00  0.00           O  
HETATM   26  C   UNL     1      11.004   0.869  -0.605  1.00  0.00           C  
HETATM   27  O   UNL     1       5.917  -2.178   1.782  1.00  0.00           O  
HETATM   28  C   UNL     1       9.515   0.570  -0.344  1.00  0.00           C  
HETATM   29  O   UNL     1       5.537  -4.638   2.202  1.00  0.00           O  
HETATM   30  C   UNL     1       9.382  -0.490   0.752  1.00  0.00           C  
HETATM   31  O   UNL     1       3.574  -3.294   1.359  1.00  0.00           O  
HETATM   32  C   UNL     1       2.519  -4.250   1.486  1.00  0.00           C  
HETATM   33  O   UNL     1     -11.159  -0.826  -0.188  1.00  0.00           O  
HETATM   34  C   UNL     1       1.429  -3.947   0.456  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.040  -3.079  -2.508  1.00  0.00           O  
HETATM   36  C   UNL     1       0.876  -2.541   0.698  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.546  -4.839  -1.607  1.00  0.00           O  
HETATM   38  C   UNL     1       2.022  -4.026  -0.952  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.257  -4.893   1.906  1.00  0.00           O  
HETATM   40  C   UNL     1       0.300  -4.970   0.592  1.00  0.00           C  
HETATM   41  O   UNL     1       4.472  -3.014   3.814  1.00  0.00           O  
HETATM   42  C   UNL     1      -0.771  -4.676  -0.426  1.00  0.00           C  
HETATM   43  O   UNL     1       7.781  -1.401   3.466  1.00  0.00           O  
HETATM   44  C   UNL     1      -2.986  -3.851  -1.018  1.00  0.00           C  
HETATM   45  O   UNL     1       8.902   1.797   0.086  1.00  0.00           O  
HETATM   46  C   UNL     1      -4.256  -3.385  -0.303  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.292  -2.994  -1.325  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.507  -2.169  -1.916  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.777  -1.703  -1.202  1.00  0.00           C  
HETATM   50  C   UNL     1     -11.301  -0.766  -1.391  1.00  0.00           C  
HETATM   51  C   UNL     1     -12.604  -0.279  -1.972  1.00  0.00           C  
HETATM   52  C   UNL     1     -13.569   0.071  -0.838  1.00  0.00           C  
HETATM   53  C   UNL     1     -14.891   0.565  -1.428  1.00  0.00           C  
HETATM   54  C   UNL     1     -15.856   0.915  -0.293  1.00  0.00           C  
HETATM   55  C   UNL     1     -17.179   1.410  -0.883  1.00  0.00           C  
HETATM   56  C   UNL     1     -18.144   1.760   0.251  1.00  0.00           C  
HETATM   57  C   UNL     1     -19.466   2.254  -0.339  1.00  0.00           C  
HETATM   58  C   UNL     1     -20.432   2.604   0.795  1.00  0.00           C  
HETATM   59  C   UNL     1     -21.754   3.098   0.206  1.00  0.00           C  
HETATM   60  C   UNL     1     -22.719   3.449   1.340  1.00  0.00           C  
HETATM   61  C   UNL     1     -24.042   3.943   0.750  1.00  0.00           C  
HETATM   62  C   UNL     1     -24.970   4.280   1.841  1.00  0.00           C  
HETATM   63  C   UNL     1     -25.711   4.549   2.712  1.00  0.00           C  
HETATM   64  H   UNL     1       9.342   9.465   1.597  1.00  0.00           H  
HETATM   65  H   UNL     1       8.861   8.183   2.571  1.00  0.00           H  
HETATM   66  H   UNL     1      12.033   3.970  -1.223  1.00  0.00           H  
HETATM   67  H   UNL     1      10.741   7.613  -2.328  1.00  0.00           H  
HETATM   68  H   UNL     1      14.155   1.011  -2.275  1.00  0.00           H  
HETATM   69  H   UNL     1       8.673   3.372   2.159  1.00  0.00           H  
HETATM   70  H   UNL     1      13.222  -1.235  -4.287  1.00  0.00           H  
HETATM   71  H   UNL     1       9.427   3.023  -1.529  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.180  -4.162   0.922  1.00  0.00           H  
HETATM   73  H   UNL     1      11.510   2.567   0.680  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.701  -2.480   0.023  1.00  0.00           H  
HETATM   75  H   UNL     1      11.635   0.299   0.077  1.00  0.00           H  
HETATM   76  H   UNL     1       9.041   0.220  -1.261  1.00  0.00           H  
HETATM   77  H   UNL     1       9.761  -0.090   1.692  1.00  0.00           H  
HETATM   78  H   UNL     1       9.956  -1.373   0.474  1.00  0.00           H  
HETATM   79  H   UNL     1       2.914  -5.251   1.314  1.00  0.00           H  
HETATM   80  H   UNL     1       2.097  -4.194   2.489  1.00  0.00           H  
HETATM   81  H   UNL     1       1.680  -1.812   0.601  1.00  0.00           H  
HETATM   82  H   UNL     1       0.099  -2.326  -0.036  1.00  0.00           H  
HETATM   83  H   UNL     1       0.453  -2.485   1.701  1.00  0.00           H  
HETATM   84  H   UNL     1       2.299  -5.057  -1.172  1.00  0.00           H  
HETATM   85  H   UNL     1       1.283  -3.686  -1.677  1.00  0.00           H  
HETATM   86  H   UNL     1       2.907  -3.392  -1.010  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.628  -4.027   2.125  1.00  0.00           H  
HETATM   88  H   UNL     1       0.696  -5.972   0.424  1.00  0.00           H  
HETATM   89  H   UNL     1       4.041  -2.159   3.945  1.00  0.00           H  
HETATM   90  H   UNL     1       7.337  -0.568   3.675  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.599  -3.041  -1.636  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.218  -4.710  -1.647  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.642  -4.194   0.315  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.024  -2.526   0.326  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.121  -1.359  -2.535  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.739  -3.028  -2.546  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.545  -0.844  -0.572  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.164  -2.513  -0.583  1.00  0.00           H  
HETATM   99  H   UNL     1     -12.422   0.607  -2.581  1.00  0.00           H  
HETATM  100  H   UNL     1     -13.040  -1.062  -2.592  1.00  0.00           H  
HETATM  101  H   UNL     1     -13.751  -0.815  -0.229  1.00  0.00           H  
HETATM  102  H   UNL     1     -13.132   0.854  -0.218  1.00  0.00           H  
HETATM  103  H   UNL     1     -14.709   1.451  -2.036  1.00  0.00           H  
HETATM  104  H   UNL     1     -15.328  -0.218  -2.047  1.00  0.00           H  
HETATM  105  H   UNL     1     -16.039   0.030   0.315  1.00  0.00           H  
HETATM  106  H   UNL     1     -15.420   1.699   0.326  1.00  0.00           H  
HETATM  107  H   UNL     1     -16.997   2.295  -1.492  1.00  0.00           H  
HETATM  108  H   UNL     1     -17.615   0.626  -1.503  1.00  0.00           H  
HETATM  109  H   UNL     1     -18.326   0.874   0.860  1.00  0.00           H  
HETATM  110  H   UNL     1     -17.708   2.543   0.871  1.00  0.00           H  
HETATM  111  H   UNL     1     -19.284   3.140  -0.947  1.00  0.00           H  
HETATM  112  H   UNL     1     -19.903   1.471  -0.959  1.00  0.00           H  
HETATM  113  H   UNL     1     -20.614   1.719   1.404  1.00  0.00           H  
HETATM  114  H   UNL     1     -19.995   3.388   1.415  1.00  0.00           H  
HETATM  115  H   UNL     1     -21.572   3.984  -0.403  1.00  0.00           H  
HETATM  116  H   UNL     1     -22.191   2.315  -0.414  1.00  0.00           H  
HETATM  117  H   UNL     1     -22.901   2.563   1.949  1.00  0.00           H  
HETATM  118  H   UNL     1     -22.283   4.232   1.959  1.00  0.00           H  
HETATM  119  H   UNL     1     -23.860   4.828   0.141  1.00  0.00           H  
HETATM  120  H   UNL     1     -24.478   3.159   0.130  1.00  0.00           H  
HETATM  121  H   UNL     1     -26.373   4.789   3.490  1.00  0.00           H  
CONECT    1    2   14   14    7                                       
CONECT    2    1   64   65                                            
CONECT    3   23   66                                                 
CONECT    4    8   16   16   12                                       
CONECT    4   19                                                      
CONECT    5   49   50                                                 
CONECT    6    7    7   11   67                                       
CONECT    7    1    6    6                                            
CONECT    8    4   26                                                 
CONECT    9   25   25   43   27                                       
CONECT    9   22                                                      
CONECT   10   14   18   11   11                                       
CONECT   11    6   10   10                                            
CONECT   12    4   68                                                 
CONECT   13   29   29   41   31                                       
CONECT   13   27                                                      
CONECT   14    1    1   10   15                                       
CONECT   15   14   17   17                                            
CONECT   16    4    4                                                 
CONECT   17   15   15   18   69                                       
CONECT   18   10   17   20                                            
CONECT   19    4   70                                                 
CONECT   20   18   45   23   71                                       
CONECT   21   44   42   72                                            
CONECT   22    9   30                                                 
CONECT   23    3   20   26   73                                       
CONECT   24   47   48   74                                            
CONECT   25    9    9                                                 
CONECT   26    8   23   28   75                                       
CONECT   27    9   13                                                 
CONECT   28   26   30   45   76                                       
CONECT   29   13   13                                                 
CONECT   30   22   28   77   78                                       
CONECT   31   13   32                                                 
CONECT   32   31   34   79   80                                       
CONECT   33   50   50                                                 
CONECT   34   32   40   38   36                                       
CONECT   35   47   47                                                 
CONECT   36   34   81   82   83                                       
CONECT   37   42   42                                                 
CONECT   38   34   84   85   86                                       
CONECT   39   40   87                                                 
CONECT   40   34   39   42   88                                       
CONECT   41   13   89                                                 
CONECT   42   21   37   37   40                                       
CONECT   43    9   90                                                 
CONECT   44   21   46   91   92                                       
CONECT   45   20   28                                                 
CONECT   46   44   47   93   94                                       
CONECT   47   24   35   35   46                                       
CONECT   48   24   49   95   96                                       
CONECT   49    5   48   97   98                                       
CONECT   50    5   33   33   51                                       
CONECT   51   50   52   99  100                                       
CONECT   52   51   53  101  102                                       
CONECT   53   52   54  103  104                                       
CONECT   54   53   55  105  106                                       
CONECT   55   54   56  107  108                                       
CONECT   56   55   57  109  110                                       
CONECT   57   56   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   63   63                                       
CONECT   63   62   62   62  121                                       
CONECT   64    2                                                      
CONECT   65    2                                                      
CONECT   66    3                                                      
CONECT   67    6                                                      
CONECT   68   12                                                      
CONECT   69   17                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   26                                                      
CONECT   76   28                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   48                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   49                                                      
CONECT   99   51                                                      
CONECT  100   51                                                      
CONECT  101   52                                                      
CONECT  102   52                                                      
CONECT  103   53                                                      
CONECT  104   53                                                      
CONECT  105   54                                                      
CONECT  106   54                                                      
CONECT  107   55                                                      
CONECT  108   55                                                      
CONECT  109   56                                                      
CONECT  110   56                                                      
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   63                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
