COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.628   8.182  -3.194  1.00  0.00           N  
HETATM    2  C   UNL     1       7.798   7.614  -2.964  1.00  0.00           C  
HETATM    3  N   UNL     1       7.915   6.483  -2.301  1.00  0.00           N  
HETATM    4  C   UNL     1       6.840   5.859  -1.829  1.00  0.00           C  
HETATM    5  C   UNL     1       5.573   6.424  -2.047  1.00  0.00           C  
HETATM    6  C   UNL     1       5.499   7.633  -2.761  1.00  0.00           C  
HETATM    7  N   UNL     1       4.278   8.236  -3.006  1.00  0.00           N  
HETATM    8  N   UNL     1       4.664   5.601  -1.471  1.00  0.00           N  
HETATM    9  C   UNL     1       5.279   4.591  -0.927  1.00  0.00           C  
HETATM   10  N   UNL     1       6.623   4.705  -1.120  1.00  0.00           N  
HETATM   11  C   UNL     1       7.648   3.766  -0.657  1.00  0.00           C  
HETATM   12  C   UNL     1       8.236   4.226   0.701  1.00  0.00           C  
HETATM   13  O   UNL     1       9.310   5.148   0.506  1.00  0.00           O  
HETATM   14  C   UNL     1       8.753   2.895   1.298  1.00  0.00           C  
HETATM   15  O   UNL     1      10.155   2.752   1.062  1.00  0.00           O  
HETATM   16  P   UNL     1      11.231   2.577   2.247  1.00  0.00           P  
HETATM   17  O   UNL     1      11.096   3.697   3.205  1.00  0.00           O  
HETATM   18  O   UNL     1      10.967   1.184   3.010  1.00  0.00           O  
HETATM   19  O   UNL     1      12.717   2.576   1.628  1.00  0.00           O  
HETATM   20  C   UNL     1       7.965   1.809   0.540  1.00  0.00           C  
HETATM   21  O   UNL     1       7.062   2.482  -0.353  1.00  0.00           O  
HETATM   22  C   UNL     1       7.175   0.952   1.531  1.00  0.00           C  
HETATM   23  O   UNL     1       6.541  -0.121   0.832  1.00  0.00           O  
HETATM   24  P   UNL     1       5.624  -1.224   1.564  1.00  0.00           P  
HETATM   25  O   UNL     1       4.311  -0.514   2.168  1.00  0.00           O  
HETATM   26  O   UNL     1       6.392  -1.855   2.661  1.00  0.00           O  
HETATM   27  O   UNL     1       5.184  -2.349   0.500  1.00  0.00           O  
HETATM   28  P   UNL     1       4.556  -3.826   0.629  1.00  0.00           P  
HETATM   29  O   UNL     1       5.698  -4.855   1.109  1.00  0.00           O  
HETATM   30  O   UNL     1       3.458  -3.810   1.621  1.00  0.00           O  
HETATM   31  O   UNL     1       3.981  -4.291  -0.801  1.00  0.00           O  
HETATM   32  C   UNL     1       2.865  -5.646  -2.463  1.00  0.00           C  
HETATM   33  C   UNL     1       3.267  -5.514  -0.992  1.00  0.00           C  
HETATM   34  C   UNL     1       1.972  -4.467  -2.855  1.00  0.00           C  
HETATM   35  C   UNL     1       4.122  -5.647  -3.336  1.00  0.00           C  
HETATM   36  C   UNL     1       2.101  -6.955  -2.668  1.00  0.00           C  
HETATM   37  H   UNL     1       8.691   8.094  -3.334  1.00  0.00           H  
HETATM   38  H   UNL     1       9.051   5.962   0.052  1.00  0.00           H  
HETATM   39  H   UNL     1       8.538   2.846   2.366  1.00  0.00           H  
HETATM   40  H   UNL     1      11.039   0.404   2.442  1.00  0.00           H  
HETATM   41  H   UNL     1      13.417   2.474   2.286  1.00  0.00           H  
HETATM   42  H   UNL     1       8.651   1.181  -0.028  1.00  0.00           H  
HETATM   43  H   UNL     1       7.853   0.547   2.282  1.00  0.00           H  
HETATM   44  H   UNL     1       6.417   1.566   2.018  1.00  0.00           H  
HETATM   45  H   UNL     1       3.758  -0.079   1.505  1.00  0.00           H  
HETATM   46  H   UNL     1       6.450  -4.916   0.505  1.00  0.00           H  
HETATM   47  H   UNL     1       3.903  -6.354  -0.712  1.00  0.00           H  
HETATM   48  H   UNL     1       2.372  -5.513  -0.370  1.00  0.00           H  
HETATM   49  H   UNL     1       1.610  -4.609  -3.873  1.00  0.00           H  
HETATM   50  H   UNL     1       1.125  -4.410  -2.172  1.00  0.00           H  
HETATM   51  H   UNL     1       2.547  -3.542  -2.800  1.00  0.00           H  
HETATM   52  H   UNL     1       4.602  -4.670  -3.283  1.00  0.00           H  
HETATM   53  H   UNL     1       4.812  -6.411  -2.978  1.00  0.00           H  
HETATM   54  H   UNL     1       3.846  -5.861  -4.369  1.00  0.00           H  
HETATM   55  C   UNL     1       0.941  -7.015  -1.707  1.00  0.00           C  
HETATM   56  O   UNL     1       0.964  -7.791  -0.776  1.00  0.00           O  
HETATM   57  N   UNL     1      -0.122  -6.205  -1.884  1.00  0.00           N  
HETATM   58  C   UNL     1      -1.202  -6.188  -0.894  1.00  0.00           C  
HETATM   59  C   UNL     1      -2.278  -5.192  -1.330  1.00  0.00           C  
HETATM   60  C   UNL     1      -3.389  -5.174  -0.311  1.00  0.00           C  
HETATM   61  N   UNL     1      -4.452  -4.365  -0.488  1.00  0.00           N  
HETATM   62  C   UNL     1      -5.531  -4.347   0.502  1.00  0.00           C  
HETATM   63  O   UNL     1      -3.326  -5.888   0.667  1.00  0.00           O  
HETATM   64  C   UNL     1      -6.608  -3.351   0.066  1.00  0.00           C  
HETATM   65  S   UNL     1      -7.941  -3.329   1.289  1.00  0.00           S  
HETATM   66  C   UNL     1      -8.979  -2.168   0.578  1.00  0.00           C  
HETATM   67  C   UNL     1     -10.273  -1.798   1.256  1.00  0.00           C  
HETATM   68  O   UNL     1      -8.673  -1.644  -0.473  1.00  0.00           O  
HETATM   69  C   UNL     1     -11.005  -0.748   0.418  1.00  0.00           C  
HETATM   70  C   UNL     1     -12.319  -0.371   1.106  1.00  0.00           C  
HETATM   71  C   UNL     1     -13.051   0.679   0.269  1.00  0.00           C  
HETATM   72  C   UNL     1     -14.364   1.055   0.957  1.00  0.00           C  
HETATM   73  C   UNL     1     -15.097   2.105   0.119  1.00  0.00           C  
HETATM   74  C   UNL     1     -16.410   2.481   0.808  1.00  0.00           C  
HETATM   75  C   UNL     1     -17.142   3.532  -0.030  1.00  0.00           C  
HETATM   76  C   UNL     1     -18.456   3.908   0.658  1.00  0.00           C  
HETATM   77  C   UNL     1     -19.188   4.958  -0.179  1.00  0.00           C  
HETATM   78  C   UNL     1     -20.502   5.334   0.509  1.00  0.00           C  
HETATM   79  C   UNL     1     -21.234   6.385  -0.329  1.00  0.00           C  
HETATM   80  C   UNL     1     -22.548   6.761   0.359  1.00  0.00           C  
HETATM   81  H   UNL     1      -0.173  -5.634  -2.666  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.639  -7.183  -0.815  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.802  -5.890   0.075  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.841  -4.196  -1.408  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.678  -5.490  -2.299  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.502  -3.794  -1.270  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.969  -5.343   0.581  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.131  -4.049   1.471  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.171  -2.355  -0.012  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.008  -3.649  -0.903  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.898  -2.685   1.354  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.061  -1.391   2.244  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.379   0.139   0.319  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.217  -1.155  -0.571  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.944  -1.258   1.205  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.107   0.036   2.095  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.425   1.566   0.170  1.00  0.00           H  
HETATM   98  H   UNL     1     -13.262   0.272  -0.720  1.00  0.00           H  
HETATM   99  H   UNL     1     -14.990   0.168   1.055  1.00  0.00           H  
HETATM  100  H   UNL     1     -14.153   1.462   1.946  1.00  0.00           H  
HETATM  101  H   UNL     1     -14.471   2.992   0.021  1.00  0.00           H  
HETATM  102  H   UNL     1     -15.308   1.698  -0.870  1.00  0.00           H  
HETATM  103  H   UNL     1     -17.036   1.594   0.906  1.00  0.00           H  
HETATM  104  H   UNL     1     -16.199   2.888   1.796  1.00  0.00           H  
HETATM  105  H   UNL     1     -16.517   4.419  -0.129  1.00  0.00           H  
HETATM  106  H   UNL     1     -17.354   3.125  -1.019  1.00  0.00           H  
HETATM  107  H   UNL     1     -19.082   3.021   0.757  1.00  0.00           H  
HETATM  108  H   UNL     1     -18.244   4.315   1.647  1.00  0.00           H  
HETATM  109  H   UNL     1     -18.562   5.845  -0.278  1.00  0.00           H  
HETATM  110  H   UNL     1     -19.400   4.551  -1.168  1.00  0.00           H  
HETATM  111  H   UNL     1     -21.128   4.447   0.607  1.00  0.00           H  
HETATM  112  H   UNL     1     -20.290   5.741   1.498  1.00  0.00           H  
HETATM  113  H   UNL     1     -20.608   7.272  -0.427  1.00  0.00           H  
HETATM  114  H   UNL     1     -21.446   5.978  -1.318  1.00  0.00           H  
HETATM  115  H   UNL     1     -22.336   7.168   1.348  1.00  0.00           H  
HETATM  116  H   UNL     1     -23.069   7.509  -0.237  1.00  0.00           H  
HETATM  117  H   UNL     1     -23.173   5.874   0.458  1.00  0.00           H  
HETATM  118  H   UNL     1       1.728  -7.002  -3.691  1.00  0.00           H  
HETATM  119  O   UNL     1       2.975  -8.060  -2.428  1.00  0.00           O  
HETATM  120  H   UNL     1       4.240   9.071  -3.500  1.00  0.00           H  
HETATM  121  H   UNL     1       3.460   7.825  -2.685  1.00  0.00           H  
HETATM  122  H   UNL     1       4.795   3.782  -0.399  1.00  0.00           H  
HETATM  123  H   UNL     1       8.437   3.663  -1.402  1.00  0.00           H  
HETATM  124  H   UNL     1       7.461   4.661   1.333  1.00  0.00           H  
HETATM  125  H   UNL     1       3.345  -8.082  -1.534  1.00  0.00           H  
CONECT    1    6    6    2                                            
CONECT    2    1    3    3   37                                       
CONECT    3    2    2    4                                            
CONECT    4    5    5    3   10                                       
CONECT    5    6    8    4    4                                       
CONECT    6    7    1    1    5                                       
CONECT    7    6  120  121                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10  122                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   21  123                                       
CONECT   12   13   11   14  124                                       
CONECT   13   12   38                                                 
CONECT   14   12   20   15   39                                       
CONECT   15   14   16                                                 
CONECT   16   17   17   15   19                                       
CONECT   16   18                                                      
CONECT   17   16   16                                                 
CONECT   18   16   40                                                 
CONECT   19   16   41                                                 
CONECT   20   21   14   22   42                                       
CONECT   21   11   20                                                 
CONECT   22   23   20   43   44                                       
CONECT   23   24   22                                                 
CONECT   24   26   26   27   23                                       
CONECT   24   25                                                      
CONECT   25   24   45                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   31   30   30                                       
CONECT   28   29                                                      
CONECT   29   28   46                                                 
CONECT   30   28   28                                                 
CONECT   31   28   33                                                 
CONECT   32   36   35   34   33                                       
CONECT   33   32   31   47   48                                       
CONECT   34   32   49   50   51                                       
CONECT   35   32   52   53   54                                       
CONECT   36   32   55  118  119                                       
CONECT   37    2                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
CONECT   46   29                                                      
CONECT   47   33                                                      
CONECT   48   33                                                      
CONECT   49   34                                                      
CONECT   50   34                                                      
CONECT   51   34                                                      
CONECT   52   35                                                      
CONECT   53   35                                                      
CONECT   54   35                                                      
CONECT   55   36   56   56   57                                       
CONECT   56   55   55                                                 
CONECT   57   55   58   81                                            
CONECT   58   57   59   82   83                                       
CONECT   59   58   60   84   85                                       
CONECT   60   59   61   63   63                                       
CONECT   61   60   62   86                                            
CONECT   62   61   64   87   88                                       
CONECT   63   60   60                                                 
CONECT   64   62   65   89   90                                       
CONECT   65   64   66                                                 
CONECT   66   65   67   68   68                                       
CONECT   67   66   69   91   92                                       
CONECT   68   66   66                                                 
CONECT   69   67   70   93   94                                       
CONECT   70   69   71   95   96                                       
CONECT   71   70   72   97   98                                       
CONECT   72   71   73   99  100                                       
CONECT   73   72   74  101  102                                       
CONECT   74   73   75  103  104                                       
CONECT   75   74   76  105  106                                       
CONECT   76   75   77  107  108                                       
CONECT   77   76   78  109  110                                       
CONECT   78   77   79  111  112                                       
CONECT   79   78   80  113  114                                       
CONECT   80   79  115  116  117                                       
CONECT   81   57                                                      
CONECT   82   58                                                      
CONECT   83   58                                                      
CONECT   84   59                                                      
CONECT   85   59                                                      
CONECT   86   61                                                      
CONECT   87   62                                                      
CONECT   88   62                                                      
CONECT   89   64                                                      
CONECT   90   64                                                      
CONECT   91   67                                                      
CONECT   92   67                                                      
CONECT   93   69                                                      
CONECT   94   69                                                      
CONECT   95   70                                                      
CONECT   96   70                                                      
CONECT   97   71                                                      
CONECT   98   71                                                      
CONECT   99   72                                                      
CONECT  100   72                                                      
CONECT  101   73                                                      
CONECT  102   73                                                      
CONECT  103   74                                                      
CONECT  104   74                                                      
CONECT  105   75                                                      
CONECT  106   75                                                      
CONECT  107   76                                                      
CONECT  108   76                                                      
CONECT  109   77                                                      
CONECT  110   77                                                      
CONECT  111   78                                                      
CONECT  112   78                                                      
CONECT  113   79                                                      
CONECT  114   79                                                      
CONECT  115   80                                                      
CONECT  116   80                                                      
CONECT  117   80                                                      
CONECT  118   36                                                      
CONECT  119   36  125                                                 
CONECT  120    7                                                      
CONECT  121    7                                                      
CONECT  122    9                                                      
CONECT  123   11                                                      
CONECT  124   12                                                      
CONECT  125  119                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
