COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.578  -1.980  -9.891  1.00  0.00           N  
HETATM    2  C   UNL     1       7.759  -1.053 -10.512  1.00  0.00           C  
HETATM    3  N   UNL     1       8.251  -0.203 -11.408  1.00  0.00           N  
HETATM    4  C   UNL     1       7.478   0.683 -12.006  1.00  0.00           C  
HETATM    5  N   UNL     1       6.189   0.779 -11.757  1.00  0.00           N  
HETATM    6  C   UNL     1       5.606  -0.032 -10.880  1.00  0.00           C  
HETATM    7  C   UNL     1       6.388  -0.990 -10.212  1.00  0.00           C  
HETATM    8  N   UNL     1       4.330  -0.185 -10.402  1.00  0.00           N  
HETATM    9  N   UNL     1       5.562  -1.671  -9.382  1.00  0.00           N  
HETATM   10  C   UNL     1       4.353  -1.201  -9.492  1.00  0.00           C  
HETATM   11  C   UNL     1       5.589   0.348  27.089  1.00  0.00           C  
HETATM   12  C   UNL     1       3.810   0.081  22.428  1.00  0.00           C  
HETATM   13  C   UNL     1       3.578   0.668  23.821  1.00  0.00           C  
HETATM   14  C   UNL     1       4.699   0.215  24.758  1.00  0.00           C  
HETATM   15  C   UNL     1       4.468   0.802  26.152  1.00  0.00           C  
HETATM   16  C   UNL     1       2.689   0.535  21.490  1.00  0.00           C  
HETATM   17  C   UNL     1       2.920  -0.052  20.097  1.00  0.00           C  
HETATM   18  C   UNL     1       1.799   0.401  19.160  1.00  0.00           C  
HETATM   19  C   UNL     1       2.030  -0.186  17.766  1.00  0.00           C  
HETATM   20  C   UNL     1       0.251  -0.453  13.104  1.00  0.00           C  
HETATM   21  C   UNL     1       0.019   0.133  14.498  1.00  0.00           C  
HETATM   22  C   UNL     1       1.140  -0.320  15.435  1.00  0.00           C  
HETATM   23  C   UNL     1       0.909   0.267  16.829  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.853  -0.007  12.181  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.734   0.707  12.595  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.857  -0.452  10.741  1.00  0.00           C  
HETATM   27  P   UNL     1      -0.538   1.114 -13.584  1.00  0.00           P  
HETATM   28  O   UNL     1      -0.842   2.283 -14.648  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.217  -0.254 -14.368  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.719   0.919 -12.714  1.00  0.00           O  
HETATM   31  O   UNL     1       0.729   1.526 -12.682  1.00  0.00           O  
HETATM   32  S   UNL     1      -2.303   0.246   9.897  1.00  0.00           S  
HETATM   33  N   UNL     1      -2.991  -0.516   5.975  1.00  0.00           N  
HETATM   34  C   UNL     1      -3.872  -0.236   4.995  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.829   0.471   5.224  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.667  -0.802   3.613  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.800  -0.334   2.697  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.601  -0.884   1.354  1.00  0.00           N  
HETATM   39  C   UNL     1      -5.482  -0.603   0.374  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.487   0.026   0.624  1.00  0.00           O  
HETATM   41  C   UNL     1      -4.363   1.223  -1.518  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.059  -0.272  -1.629  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.773  -0.589  -0.864  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.883  -0.649  -3.102  1.00  0.00           C  
HETATM   45  P   UNL     1      -1.396  -0.027  -7.426  1.00  0.00           P  
HETATM   46  O   UNL     1      -1.142  -1.484  -7.465  1.00  0.00           O  
HETATM   47  O   UNL     1      -2.794   0.294  -8.157  1.00  0.00           O  
HETATM   48  O   UNL     1      -1.466   0.464  -5.894  1.00  0.00           O  
HETATM   49  O   UNL     1      -0.203   0.745  -8.183  1.00  0.00           O  
HETATM   50  C   UNL     1       0.923   0.967 -10.309  1.00  0.00           C  
HETATM   51  O   UNL     1       2.197   0.657  -9.721  1.00  0.00           O  
HETATM   52  C   UNL     1       3.155   0.593 -10.800  1.00  0.00           C  
HETATM   53  C   UNL     1       2.377  -0.123 -11.932  1.00  0.00           C  
HETATM   54  O   UNL     1       2.914   0.214 -13.213  1.00  0.00           O  
HETATM   55  C   UNL     1       0.948   0.454 -11.762  1.00  0.00           C  
HETATM   56  C   UNL     1      -0.193   0.269  -9.530  1.00  0.00           C  
HETATM   57  P   UNL     1      -2.673  -0.345  -5.201  1.00  0.00           P  
HETATM   58  O   UNL     1      -2.400  -1.797  -5.275  1.00  0.00           O  
HETATM   59  O   UNL     1      -4.049  -0.017  -5.969  1.00  0.00           O  
HETATM   60  O   UNL     1      -2.801   0.099  -3.659  1.00  0.00           O  
HETATM   61  C   UNL     1      -5.218  -1.073  -1.033  1.00  0.00           C  
HETATM   62  O   UNL     1      -6.390  -0.880  -1.827  1.00  0.00           O  
HETATM   63  C   UNL     1      -3.190   0.033   7.318  1.00  0.00           C  
HETATM   64  C   UNL     1      -2.057  -0.434   8.234  1.00  0.00           C  
HETATM   65  H   UNL     1       8.207  -2.595  -9.239  1.00  0.00           H  
HETATM   66  H   UNL     1       9.523  -2.013 -10.106  1.00  0.00           H  
HETATM   67  H   UNL     1       7.919   1.355 -12.727  1.00  0.00           H  
HETATM   68  H   UNL     1       3.496  -1.561  -8.943  1.00  0.00           H  
HETATM   69  H   UNL     1       5.424   0.767  28.082  1.00  0.00           H  
HETATM   70  H   UNL     1       5.594  -0.739  27.150  1.00  0.00           H  
HETATM   71  H   UNL     1       6.548   0.695  26.703  1.00  0.00           H  
HETATM   72  H   UNL     1       4.768   0.427  22.042  1.00  0.00           H  
HETATM   73  H   UNL     1       3.814  -1.007  22.488  1.00  0.00           H  
HETATM   74  H   UNL     1       2.620   0.322  24.207  1.00  0.00           H  
HETATM   75  H   UNL     1       3.574   1.757  23.761  1.00  0.00           H  
HETATM   76  H   UNL     1       5.658   0.561  24.373  1.00  0.00           H  
HETATM   77  H   UNL     1       4.704  -0.873  24.819  1.00  0.00           H  
HETATM   78  H   UNL     1       3.510   0.456  26.538  1.00  0.00           H  
HETATM   79  H   UNL     1       4.464   1.890  26.091  1.00  0.00           H  
HETATM   80  H   UNL     1       1.730   0.188  21.876  1.00  0.00           H  
HETATM   81  H   UNL     1       2.684   1.623  21.430  1.00  0.00           H  
HETATM   82  H   UNL     1       3.879   0.294  19.711  1.00  0.00           H  
HETATM   83  H   UNL     1       2.925  -1.140  20.157  1.00  0.00           H  
HETATM   84  H   UNL     1       0.840   0.054  19.545  1.00  0.00           H  
HETATM   85  H   UNL     1       1.794   1.489  19.099  1.00  0.00           H  
HETATM   86  H   UNL     1       2.989   0.160  17.380  1.00  0.00           H  
HETATM   87  H   UNL     1       2.035  -1.274  17.827  1.00  0.00           H  
HETATM   88  H   UNL     1       1.209  -0.107  12.718  1.00  0.00           H  
HETATM   89  H   UNL     1       0.255  -1.542  13.165  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.938  -0.212  14.884  1.00  0.00           H  
HETATM   91  H   UNL     1       0.015   1.221  14.437  1.00  0.00           H  
HETATM   92  H   UNL     1       2.099   0.026  15.049  1.00  0.00           H  
HETATM   93  H   UNL     1       1.145  -1.408  15.496  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.049  -0.079  17.215  1.00  0.00           H  
HETATM   95  H   UNL     1       0.904   1.355  16.768  1.00  0.00           H  
HETATM   96  H   UNL     1       0.051  -0.105  10.251  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.902  -1.540  10.697  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.607   1.997 -15.166  1.00  0.00           H  
HETATM   99  H   UNL     1       0.556  -0.084 -14.921  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.225  -1.083   5.792  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.712  -0.456   3.217  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.667  -1.891   3.663  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.754  -0.680   3.094  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.800   0.754   2.647  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.835  -1.450   1.171  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.279   1.449  -2.063  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.488   1.491  -0.469  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.537   1.794  -1.943  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.617  -1.668  -0.846  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.928  -0.109  -1.359  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.856  -0.217   0.156  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.667  -1.714  -3.181  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.800  -0.423  -3.647  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.920   1.252  -8.109  1.00  0.00           H  
HETATM  115  H   UNL     1       0.763   2.045 -10.300  1.00  0.00           H  
HETATM  116  H   UNL     1       3.449   1.596 -11.111  1.00  0.00           H  
HETATM  117  H   UNL     1       2.382  -1.203 -11.783  1.00  0.00           H  
HETATM  118  H   UNL     1       3.832  -0.090 -13.221  1.00  0.00           H  
HETATM  119  H   UNL     1       0.201  -0.326 -11.904  1.00  0.00           H  
HETATM  120  H   UNL     1      -0.020  -0.807  -9.534  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.153   0.484 -10.000  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.190   0.936  -5.898  1.00  0.00           H  
HETATM  123  H   UNL     1      -4.959  -2.132  -1.020  1.00  0.00           H  
HETATM  124  H   UNL     1      -6.584   0.067  -1.812  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.144  -0.312   7.715  1.00  0.00           H  
HETATM  126  H   UNL     1      -3.190   1.122   7.269  1.00  0.00           H  
HETATM  127  H   UNL     1      -1.102  -0.088   7.838  1.00  0.00           H  
HETATM  128  H   UNL     1      -2.056  -1.523   8.284  1.00  0.00           H  
CONECT    1    2   65   66                                            
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   67                                       
CONECT    5    4    4    6                                            
CONECT    6    5    7    7    8                                       
CONECT    7    2    6    6    9                                       
CONECT    8    6   10   52                                            
CONECT    9    7   10   10                                            
CONECT   10    8    9    9   68                                       
CONECT   11   15   69   70   71                                       
CONECT   12   13   16   72   73                                       
CONECT   13   12   14   74   75                                       
CONECT   14   13   15   76   77                                       
CONECT   15   11   14   78   79                                       
CONECT   16   12   17   80   81                                       
CONECT   17   16   18   82   83                                       
CONECT   18   17   19   84   85                                       
CONECT   19   18   23   86   87                                       
CONECT   20   21   24   88   89                                       
CONECT   21   20   22   90   91                                       
CONECT   22   21   23   92   93                                       
CONECT   23   19   22   94   95                                       
CONECT   24   20   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   32   96   97                                       
CONECT   27   28   29   30   30                                       
CONECT   27   31                                                      
CONECT   28   27   98                                                 
CONECT   29   27   99                                                 
CONECT   30   27   27                                                 
CONECT   31   27   55                                                 
CONECT   32   26   64                                                 
CONECT   33   34   63  100                                            
CONECT   34   33   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37  101  102                                       
CONECT   37   36   38  103  104                                       
CONECT   38   37   39  105                                            
CONECT   39   38   40   40   61                                       
CONECT   40   39   39                                                 
CONECT   41   42  106  107  108                                       
CONECT   42   41   43   44   61                                       
CONECT   43   42  109  110  111                                       
CONECT   44   42   60  112  113                                       
CONECT   45   46   46   47   48                                       
CONECT   45   49                                                      
CONECT   46   45   45                                                 
CONECT   47   45  114                                                 
CONECT   48   45   57                                                 
CONECT   49   45   56                                                 
CONECT   50   51   55   56  115                                       
CONECT   51   50   52                                                 
CONECT   52    8   51   53  116                                       
CONECT   53   52   54   55  117                                       
CONECT   54   53  118                                                 
CONECT   55   31   50   53  119                                       
CONECT   56   49   50  120  121                                       
CONECT   57   48   58   58   59                                       
CONECT   57   60                                                      
CONECT   58   57   57                                                 
CONECT   59   57  122                                                 
CONECT   60   44   57                                                 
CONECT   61   39   42   62  123                                       
CONECT   62   61  124                                                 
CONECT   63   33   64  125  126                                       
CONECT   64   32   63  127  128                                       
CONECT   65    1                                                      
CONECT   66    1                                                      
CONECT   67    4                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   14                                                      
CONECT   78   15                                                      
CONECT   79   15                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   17                                                      
CONECT   83   17                                                      
CONECT   84   18                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   19                                                      
CONECT   88   20                                                      
CONECT   89   20                                                      
CONECT   90   21                                                      
CONECT   91   21                                                      
CONECT   92   22                                                      
CONECT   93   22                                                      
CONECT   94   23                                                      
CONECT   95   23                                                      
CONECT   96   26                                                      
CONECT   97   26                                                      
CONECT   98   28                                                      
CONECT   99   29                                                      
CONECT  100   33                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   37                                                      
CONECT  104   37                                                      
CONECT  105   38                                                      
CONECT  106   41                                                      
CONECT  107   41                                                      
CONECT  108   41                                                      
CONECT  109   43                                                      
CONECT  110   43                                                      
CONECT  111   43                                                      
CONECT  112   44                                                      
CONECT  113   44                                                      
CONECT  114   47                                                      
CONECT  115   50                                                      
CONECT  116   52                                                      
CONECT  117   53                                                      
CONECT  118   54                                                      
CONECT  119   55                                                      
CONECT  120   56                                                      
CONECT  121   56                                                      
CONECT  122   59                                                      
CONECT  123   61                                                      
CONECT  124   62                                                      
CONECT  125   63                                                      
CONECT  126   63                                                      
CONECT  127   64                                                      
CONECT  128   64                                                      
MASTER        0    0    0    0    0    0    0    0  128    0  128    0
END
