COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.355   1.128  -2.009  1.00  0.00           C  
HETATM    2  N   UNL     1      -9.616  -1.467   0.595  1.00  0.00           N  
HETATM    3  O   UNL     1      -3.746  -0.144  -0.116  1.00  0.00           O  
HETATM    4  C   ACE A   0      -3.363   0.561  -1.026  1.00  0.00           C  
HETATM    5  N   UNL     1     -11.979  -1.749   0.521  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.743   0.670  -1.642  1.00  0.00           C  
HETATM    7  N   UNL     1     -10.712  -2.753   2.185  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.243  -0.509  -2.163  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.515   1.428  -0.781  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.516  -0.928  -1.826  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.290  -0.168  -0.969  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.789   1.008  -0.445  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.679  -0.625  -0.603  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.768  -2.003   1.120  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.051   0.839  -1.157  1.00  0.00           N  
HETATM   16  CA  UNL     1      -1.087   0.288  -0.200  1.00  0.00           C  
HETATM   17  C   UNL     1       0.270   0.200  -0.850  1.00  0.00           C  
HETATM   18  O   UNL     1       0.417   0.561  -1.998  1.00  0.00           O  
HETATM   19  CB  UNL     1      -1.007   1.200   1.026  1.00  0.00           C  
HETATM   20  CG  UNL     1      -2.352   1.191   1.756  1.00  0.00           C  
HETATM   21  CD  UNL     1      -2.272   2.103   2.982  1.00  0.00           C  
HETATM   22  CE  UNL     1      -3.617   2.094   3.712  1.00  0.00           C  
HETATM   23  NZ  UNL     1      -3.540   2.970   4.889  1.00  0.00           N  
HETATM   24  N   UNL     1       1.320  -0.281  -0.154  1.00  0.00           N  
HETATM   25  CA  UNL     1       2.639  -0.367  -0.786  1.00  0.00           C  
HETATM   26  C   UNL     1       3.453  -1.437  -0.106  1.00  0.00           C  
HETATM   27  O   UNL     1       2.977  -2.067   0.816  1.00  0.00           O  
HETATM   28  CB  UNL     1       3.356   0.979  -0.655  1.00  0.00           C  
HETATM   29  CG  UNL     1       2.595   2.042  -1.450  1.00  0.00           C  
HETATM   30  CD  UNL     1       3.311   3.387  -1.319  1.00  0.00           C  
HETATM   31  CE  UNL     1       2.550   4.450  -2.115  1.00  0.00           C  
HETATM   32  NZ  UNL     1       3.239   5.741  -1.989  1.00  0.00           N1+
HETATM   33  N   UNL     1       4.708  -1.696  -0.521  1.00  0.00           N  
HETATM   34  CA  UNL     1       5.499  -2.737   0.140  1.00  0.00           C  
HETATM   35  CB  UNL     1       6.989  -2.439  -0.043  1.00  0.00           C  
HETATM   36  CG  UNL     1       7.342  -1.139   0.684  1.00  0.00           C  
HETATM   37  CD  UNL     1       8.831  -0.841   0.501  1.00  0.00           C  
HETATM   38  NE  UNL     1       9.169   0.403   1.197  1.00  0.00           N  
HETATM   39  CZ  UNL     1      10.454   0.873   1.173  1.00  0.00           C  
HETATM   40  NH1 UNL     1      11.397   0.199   0.517  1.00  0.00           N  
HETATM   41  NH2 UNL     1      10.761   2.004   1.806  1.00  0.00           N1+
HETATM   42  C   UNL     1       5.176  -4.076  -0.470  1.00  0.00           C  
HETATM   43  O   UNL     1       4.369  -4.154  -1.365  1.00  0.00           O  
HETATM   44  OXT UNL     1       5.786  -5.184  -0.019  1.00  0.00           O  
HETATM   45  H   UNL     1      -4.312   2.216  -1.982  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.111   0.779  -3.013  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.761  -1.647   1.017  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.021  -1.191  -0.272  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.792  -2.127   0.891  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.525  -3.131   2.555  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.638  -1.102  -2.832  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.123   2.346  -0.371  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.907  -1.849  -2.233  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.392   1.600   0.228  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.102  -1.198  -1.428  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.306   0.243  -0.403  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.745   1.403  -1.884  1.00  0.00           H  
HETATM   58  HA  UNL     1      -1.408  -0.707   0.107  1.00  0.00           H  
HETATM   59  HB1 UNL     1      -0.227   0.840   1.696  1.00  0.00           H  
HETATM   60  HB2 UNL     1      -0.773   2.216   0.708  1.00  0.00           H  
HETATM   61  HG1 UNL     1      -3.132   1.551   1.085  1.00  0.00           H  
HETATM   62  HG2 UNL     1      -2.586   0.175   2.073  1.00  0.00           H  
HETATM   63  HD1 UNL     1      -1.492   1.743   3.652  1.00  0.00           H  
HETATM   64  HD2 UNL     1      -2.038   3.119   2.664  1.00  0.00           H  
HETATM   65  HE1 UNL     1      -4.397   2.454   3.042  1.00  0.00           H  
HETATM   66  HE2 UNL     1      -3.851   1.078   4.030  1.00  0.00           H  
HETATM   67  HZ1 UNL     1      -3.261   3.903   4.628  1.00  0.00           H  
HETATM   68  HZ2 UNL     1      -4.417   2.981   5.389  1.00  0.00           H  
HETATM   69  H   UNL     1       1.202  -0.570   0.764  1.00  0.00           H  
HETATM   70  HA  UNL     1       2.522  -0.614  -1.841  1.00  0.00           H  
HETATM   71  HB1 UNL     1       3.394   1.269   0.395  1.00  0.00           H  
HETATM   72  HB2 UNL     1       4.370   0.890  -1.045  1.00  0.00           H  
HETATM   73  HG1 UNL     1       2.556   1.751  -2.500  1.00  0.00           H  
HETATM   74  HG2 UNL     1       1.581   2.130  -1.060  1.00  0.00           H  
HETATM   75  HD1 UNL     1       3.350   3.677  -0.269  1.00  0.00           H  
HETATM   76  HD2 UNL     1       4.325   3.298  -1.709  1.00  0.00           H  
HETATM   77  HE1 UNL     1       2.512   4.159  -3.164  1.00  0.00           H  
HETATM   78  HE2 UNL     1       1.536   4.539  -1.725  1.00  0.00           H  
HETATM   79  HZ1 UNL     1       4.177   5.659  -2.350  1.00  0.00           H  
HETATM   80  HZ2 UNL     1       2.737   6.442  -2.513  1.00  0.00           H  
HETATM   81  HZ3 UNL     1       3.274   6.010  -1.017  1.00  0.00           H  
HETATM   82  H   UNL     1       5.089  -1.192  -1.258  1.00  0.00           H  
HETATM   83  HA  UNL     1       5.260  -2.754   1.203  1.00  0.00           H  
HETATM   84  HB1 UNL     1       7.577  -3.258   0.372  1.00  0.00           H  
HETATM   85  HB2 UNL     1       7.211  -2.333  -1.105  1.00  0.00           H  
HETATM   86  HG1 UNL     1       6.754  -0.320   0.270  1.00  0.00           H  
HETATM   87  HG2 UNL     1       7.120  -1.245   1.746  1.00  0.00           H  
HETATM   88  HD1 UNL     1       9.419  -1.660   0.916  1.00  0.00           H  
HETATM   89  HD2 UNL     1       9.053  -0.736  -0.561  1.00  0.00           H  
HETATM   90  HE  UNL     1       8.482   0.893   1.675  1.00  0.00           H  
HETATM   91 HH11 UNL     1      11.173  -0.625   0.056  1.00  0.00           H  
HETATM   92 HH12 UNL     1      12.308   0.532   0.500  1.00  0.00           H  
HETATM   93 HH21 UNL     1      10.074   2.494   2.283  1.00  0.00           H  
HETATM   94 HH22 UNL     1      11.672   2.337   1.788  1.00  0.00           H  
HETATM   95  HXT UNL     1       5.547  -6.020  -0.441  1.00  0.00           H  
CONECT    1    6    4   45   46                                       
CONECT    2   13   14   47                                            
CONECT    3    4    4                                                 
CONECT    4    1    3    3   15                                       
CONECT    5   14   48   49                                            
CONECT    6    1    8    8    9                                       
CONECT    7   14   14   50                                            
CONECT    8    6    6   10   51                                       
CONECT    9    6   12   12   52                                       
CONECT   10    8   11   11   53                                       
CONECT   11   10   10   12   13                                       
CONECT   12    9    9   11   54                                       
CONECT   13    2   11   55   56                                       
CONECT   14    2    5    7    7                                       
CONECT   15   16   57    4                                            
CONECT   16   15   17   19   58                                       
CONECT   17   16   18   18   24                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   59   60                                       
CONECT   20   19   21   61   62                                       
CONECT   21   20   22   63   64                                       
CONECT   22   21   23   65   66                                       
CONECT   23   22   67   68                                            
CONECT   24   25   69   17                                            
CONECT   25   24   26   28   70                                       
CONECT   26   25   27   27   33                                       
CONECT   27   26   26                                                 
CONECT   28   25   29   71   72                                       
CONECT   29   28   30   73   74                                       
CONECT   30   29   31   75   76                                       
CONECT   31   30   32   77   78                                       
CONECT   32   31   79   80   81                                       
CONECT   33   34   82   26                                            
CONECT   34   33   35   42   83                                       
CONECT   35   34   36   84   85                                       
CONECT   36   35   37   86   87                                       
CONECT   37   36   38   88   89                                       
CONECT   38   37   39   90                                            
CONECT   39   38   40   41   41                                       
CONECT   40   39   91   92                                            
CONECT   41   39   39   93   94                                       
CONECT   42   34   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   95                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   41                                                      
CONECT   95   44                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
