COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0      -9.568  -0.202  -0.359  1.00  0.00           N  
HETATM    2  C   UNK A   0      -8.498  -0.935   0.364  1.00  0.00           C  
HETATM    3  C   UNK A   0      -7.196  -0.179   0.296  1.00  0.00           C  
HETATM    4  C   UNK A   0      -8.396  -2.271  -0.413  1.00  0.00           C  
HETATM    5  O   UNK A   0      -7.158   0.917  -0.221  1.00  0.00           O  
HETATM    6  C   UNK A   0     -10.143   0.856   0.482  1.00  0.00           C  
HETATM    7  C   UNK A   0     -10.998   1.786  -0.381  1.00  0.00           C  
HETATM    8  C   UNK A   0     -10.108   2.494  -1.405  1.00  0.00           C  
HETATM    9  C   UNK A   0     -10.964   3.424  -2.268  1.00  0.00           C  
HETATM   10  C   UNK A   0     -11.644   4.465  -1.376  1.00  0.00           C  
HETATM   11  C   UNK A   0     -12.534   3.757  -0.353  1.00  0.00           C  
HETATM   12  C   UNK A   0     -11.678   2.827   0.510  1.00  0.00           C  
HETATM   13  C   UNK A   0     -10.588  -1.216  -0.706  1.00  0.00           C  
HETATM   14  C   UNK A   0      -9.868  -2.576  -0.773  1.00  0.00           C  
ATOM     15  N   LEU A   1      -6.074  -0.721   0.810  1.00  0.00           N  
ATOM     16  CA  LEU A   1      -4.833   0.057   0.843  1.00  0.00           C  
ATOM     17  C   LEU A   1      -3.656  -0.879   0.938  1.00  0.00           C  
ATOM     18  O   LEU A   1      -3.806  -1.999   1.379  1.00  0.00           O  
ATOM     19  CB  LEU A   1      -4.846   0.985   2.059  1.00  0.00           C  
ATOM     20  CG  LEU A   1      -3.553   1.803   2.090  1.00  0.00           C  
ATOM     21  CD1 LEU A   1      -3.503   2.723   0.869  1.00  0.00           C  
ATOM     22  CD2 LEU A   1      -3.514   2.647   3.366  1.00  0.00           C  
ATOM     23  N   HIS A   2      -2.437  -0.472   0.533  1.00  0.00           N  
ATOM     24  CA  HIS A   2      -1.311  -1.409   0.542  1.00  0.00           C  
ATOM     25  C   HIS A   2      -0.019  -0.641   0.655  1.00  0.00           C  
ATOM     26  O   HIS A   2      -0.038   0.570   0.722  1.00  0.00           O  
ATOM     27  CB  HIS A   2      -1.310  -2.219  -0.756  1.00  0.00           C  
ATOM     28  CG  HIS A   2      -2.546  -3.080  -0.811  1.00  0.00           C  
ATOM     29  ND1 HIS A   2      -3.698  -2.767  -1.422  1.00  0.00           N1+
ATOM     30  CD2 HIS A   2      -2.684  -4.302  -0.261  1.00  0.00           C  
ATOM     31  CE1 HIS A   2      -4.547  -3.746  -1.266  1.00  0.00           C  
ATOM     32  NE2 HIS A   2      -3.954  -4.724  -0.548  1.00  0.00           N  
HETATM   33  N   UNK A   3       1.156  -1.300   0.683  1.00  0.00           N  
HETATM   34  C   UNK A   3       2.412  -0.553   0.794  1.00  0.00           C  
HETATM   35  C   UNK A   3       3.535  -1.369   0.207  1.00  0.00           C  
HETATM   36  O   UNK A   3       3.309  -2.467  -0.257  1.00  0.00           O  
HETATM   37  C   UNK A   3       2.706  -0.265   2.267  1.00  0.00           C  
HETATM   38  O   UNK A   3       2.936  -1.496   2.956  1.00  0.00           O  
HETATM   39  N   UNK A   3       4.791  -0.880   0.199  1.00  0.00           N  
HETATM   40  C   UNK A   3       5.882  -1.673  -0.371  1.00  0.00           C  
HETATM   41  C   UNK A   3       5.941  -1.448  -1.883  1.00  0.00           C  
HETATM   42  C   UNK A   3       4.616  -1.878  -2.515  1.00  0.00           C  
HETATM   43  O   UNK A   3       6.168  -0.062  -2.150  1.00  0.00           O  
HETATM   44  P   UNK A   3       7.456   0.477  -2.951  1.00  0.00           P  
HETATM   45  O   UNK A   3       8.688   0.017  -2.272  1.00  0.00           O  
HETATM   46  O   UNK A   3       7.428  -0.091  -4.457  1.00  0.00           O  
HETATM   47  O   UNK A   3       7.431   2.087  -2.985  1.00  0.00           O  
HETATM   48  C   UNK A   3       7.188  -1.251   0.251  1.00  0.00           C  
HETATM   49  O   UNK A   3       8.152  -1.984   0.194  1.00  0.00           O  
HETATM   50  N   UNK A   3       7.285  -0.058   0.870  1.00  0.00           N  
HETATM   51  C   UNK A   3       8.525   0.313   1.555  1.00  0.00           C  
HETATM   52  C   UNK A   3       8.530  -0.277   2.942  1.00  0.00           C  
HETATM   53  O   UNK A   3       7.522  -0.783   3.388  1.00  0.00           O  
HETATM   54  C   UNK A   3       8.619   1.838   1.650  1.00  0.00           C  
HETATM   55  C   UNK A   3       8.741   2.429   0.244  1.00  0.00           C  
HETATM   56  S   UNK A   3       8.852   4.236   0.356  1.00  0.00           S  
HETATM   57  C   UNK A   3       8.987   4.745  -1.380  1.00  0.00           C  
HETATM   58  N   UNK A   3       9.653  -0.242   3.686  1.00  0.00           N  
HETATM   59  H   UNK A   0      -8.787  -1.114   1.400  1.00  0.00           H  
HETATM   60  H   UNK A   0      -7.796  -2.148  -1.315  1.00  0.00           H  
HETATM   61  H   UNK A   0      -7.981  -3.055   0.220  1.00  0.00           H  
HETATM   62  H   UNK A   0     -10.764   0.407   1.257  1.00  0.00           H  
HETATM   63  H   UNK A   0      -9.340   1.428   0.946  1.00  0.00           H  
HETATM   64  H   UNK A   0     -11.757   1.202  -0.902  1.00  0.00           H  
HETATM   65  H   UNK A   0      -9.349   3.078  -0.884  1.00  0.00           H  
HETATM   66  H   UNK A   0      -9.624   1.752  -2.040  1.00  0.00           H  
HETATM   67  H   UNK A   0     -10.330   3.928  -2.997  1.00  0.00           H  
HETATM   68  H   UNK A   0     -11.723   2.840  -2.789  1.00  0.00           H  
HETATM   69  H   UNK A   0     -10.885   5.049  -0.856  1.00  0.00           H  
HETATM   70  H   UNK A   0     -12.253   5.127  -1.991  1.00  0.00           H  
HETATM   71  H   UNK A   0     -13.018   4.498   0.282  1.00  0.00           H  
HETATM   72  H   UNK A   0     -13.293   3.173  -0.874  1.00  0.00           H  
HETATM   73  H   UNK A   0     -12.312   2.323   1.239  1.00  0.00           H  
HETATM   74  H   UNK A   0     -10.919   3.411   1.031  1.00  0.00           H  
HETATM   75  H   UNK A   0     -11.361  -1.242   0.061  1.00  0.00           H  
HETATM   76  H   UNK A   0     -11.032  -0.980  -1.673  1.00  0.00           H  
HETATM   77  H   UNK A   0      -9.934  -2.990  -1.779  1.00  0.00           H  
HETATM   78  H   UNK A   0     -10.299  -3.268  -0.050  1.00  0.00           H  
ATOM     79  H   LEU A   1      -6.089  -1.627   1.158  1.00  0.00           H  
ATOM     80  HA  LEU A   1      -4.753   0.651  -0.067  1.00  0.00           H  
ATOM     81  HB1 LEU A   1      -5.701   1.658   1.994  1.00  0.00           H  
ATOM     82  HB2 LEU A   1      -4.921   0.390   2.970  1.00  0.00           H  
ATOM     83  HG  LEU A   1      -2.697   1.129   2.073  1.00  0.00           H  
ATOM     84 HD11 LEU A   1      -4.320   3.441   0.921  1.00  0.00           H  
ATOM     85 HD12 LEU A   1      -2.551   3.255   0.854  1.00  0.00           H  
ATOM     86 HD13 LEU A   1      -3.600   2.127  -0.039  1.00  0.00           H  
ATOM     87 HD21 LEU A   1      -3.550   1.991   4.236  1.00  0.00           H  
ATOM     88 HD22 LEU A   1      -2.593   3.229   3.388  1.00  0.00           H  
ATOM     89 HD23 LEU A   1      -4.370   3.320   3.383  1.00  0.00           H  
ATOM     90  H   HIS A   2      -2.305   0.442   0.235  1.00  0.00           H  
ATOM     91  HA  HIS A   2      -1.408  -2.085   1.392  1.00  0.00           H  
ATOM     92  HB1 HIS A   2      -1.303  -1.539  -1.608  1.00  0.00           H  
ATOM     93  HB2 HIS A   2      -0.424  -2.852  -0.789  1.00  0.00           H  
ATOM     94  HD1 HIS A   2      -3.874  -1.943  -1.902  1.00  0.00           H  
ATOM     95  HD2 HIS A   2      -1.936  -4.844   0.298  1.00  0.00           H  
ATOM     96  HE1 HIS A   2      -5.556  -3.772  -1.651  1.00  0.00           H  
ATOM     97  HE2 HIS A   2      -4.352  -5.569  -0.286  1.00  0.00           H  
HETATM   98  H   UNK A   3       1.171  -2.268   0.630  1.00  0.00           H  
HETATM   99  H   UNK A   3       2.324   0.388   0.250  1.00  0.00           H  
HETATM  100  H   UNK A   3       3.592   0.366   2.344  1.00  0.00           H  
HETATM  101  H   UNK A   3       1.855   0.248   2.714  1.00  0.00           H  
HETATM  102  H   UNK A   3       3.129  -1.389   3.898  1.00  0.00           H  
HETATM  103  H   UNK A   3       4.971  -0.002   0.570  1.00  0.00           H  
HETATM  104  H   UNK A   3       5.708  -2.730  -0.168  1.00  0.00           H  
HETATM  105  H   UNK A   3       6.754  -2.037  -2.307  1.00  0.00           H  
HETATM  106  H   UNK A   3       3.803  -1.289  -2.091  1.00  0.00           H  
HETATM  107  H   UNK A   3       4.658  -1.717  -3.592  1.00  0.00           H  
HETATM  108  H   UNK A   3       4.443  -2.935  -2.312  1.00  0.00           H  
HETATM  109  H   UNK A   3       6.647   0.171  -4.963  1.00  0.00           H  
HETATM  110  H   UNK A   3       8.180   2.482  -3.453  1.00  0.00           H  
HETATM  111  H   UNK A   3       6.533   0.555   0.863  1.00  0.00           H  
HETATM  112  H   UNK A   3       9.378  -0.069   0.995  1.00  0.00           H  
HETATM  113  H   UNK A   3       7.723   2.228   2.132  1.00  0.00           H  
HETATM  114  H   UNK A   3       9.496   2.112   2.236  1.00  0.00           H  
HETATM  115  H   UNK A   3       9.637   2.039  -0.238  1.00  0.00           H  
HETATM  116  H   UNK A   3       7.864   2.155  -0.343  1.00  0.00           H  
HETATM  117  H   UNK A   3       9.877   4.297  -1.822  1.00  0.00           H  
HETATM  118  H   UNK A   3       8.104   4.413  -1.926  1.00  0.00           H  
HETATM  119  H   UNK A   3       9.061   5.831  -1.436  1.00  0.00           H  
HETATM  120  H   UNK A   3      10.459   0.163   3.329  1.00  0.00           H  
HETATM  121  H   UNK A   3       9.656  -0.622   4.578  1.00  0.00           H  
CONECT    1    2   13    6                                            
CONECT    2    3    4    1   59                                       
CONECT    3    5    5    2   15                                       
CONECT    4   14    2   60   61                                       
CONECT    5    3    3                                                 
CONECT    6    7    1   62   63                                       
CONECT    7   12    6    8   64                                       
CONECT    8    7    9   65   66                                       
CONECT    9   10    8   67   68                                       
CONECT   10   11    9   69   70                                       
CONECT   11   12   10   71   72                                       
CONECT   12   11    7   73   74                                       
CONECT   13   14    1   75   76                                       
CONECT   14    4   13   77   78                                       
CONECT   15   16   79    3                                            
CONECT   16   15   17   19   80                                       
CONECT   17   16   18   18   23                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   81   82                                       
CONECT   20   19   21   22   83                                       
CONECT   21   20   84   85   86                                       
CONECT   22   20   87   88   89                                       
CONECT   23   24   90   17                                            
CONECT   24   23   25   27   91                                       
CONECT   25   24   26   26   33                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   92   93                                       
CONECT   28   27   29   30   30                                       
CONECT   29   28   31   31   94                                       
CONECT   30   28   28   32   95                                       
CONECT   31   29   29   32   96                                       
CONECT   32   30   31   97                                            
CONECT   33   34   98   25                                            
CONECT   34   33   35   37   99                                       
CONECT   35   34   36   36   39                                       
CONECT   36   35   35                                                 
CONECT   37   34   38  100  101                                       
CONECT   38   37  102                                                 
CONECT   39   40  103   35                                            
CONECT   40   39   41   48  104                                       
CONECT   41   40   42   43  105                                       
CONECT   42   41  106  107  108                                       
CONECT   43   41   44                                                 
CONECT   44   43   45   45   46                                       
CONECT   44   47                                                      
CONECT   45   44   44                                                 
CONECT   46   44  109                                                 
CONECT   47   44  110                                                 
CONECT   48   40   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   51  111   48                                            
CONECT   51   50   52   54  112                                       
CONECT   52   51   53   53   58                                       
CONECT   53   52   52                                                 
CONECT   54   51   55  113  114                                       
CONECT   55   54   56  115  116                                       
CONECT   56   55   57                                                 
CONECT   57   56  117  118  119                                       
CONECT   58  120  121   52                                            
CONECT   59    2                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   12                                                      
CONECT   74   12                                                      
CONECT   75   13                                                      
CONECT   76   13                                                      
CONECT   77   14                                                      
CONECT   78   14                                                      
CONECT   79   15                                                      
CONECT   80   16                                                      
CONECT   81   19                                                      
CONECT   82   19                                                      
CONECT   83   20                                                      
CONECT   84   21                                                      
CONECT   85   21                                                      
CONECT   86   21                                                      
CONECT   87   22                                                      
CONECT   88   22                                                      
CONECT   89   22                                                      
CONECT   90   23                                                      
CONECT   91   24                                                      
CONECT   92   27                                                      
CONECT   93   27                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   32                                                      
CONECT   98   33                                                      
CONECT   99   34                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   42                                                      
CONECT  108   42                                                      
CONECT  109   46                                                      
CONECT  110   47                                                      
CONECT  111   50                                                      
CONECT  112   51                                                      
CONECT  113   54                                                      
CONECT  114   54                                                      
CONECT  115   55                                                      
CONECT  116   55                                                      
CONECT  117   57                                                      
CONECT  118   57                                                      
CONECT  119   57                                                      
CONECT  120   58                                                      
CONECT  121   58                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
