COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      10.229   0.704   0.391  1.00  0.00           C  
HETATM    2  O   UNK A   0      10.358   1.324   1.428  1.00  0.00           O  
HETATM    3  O   UNK A   0      11.312   0.212  -0.239  1.00  0.00           O  
HETATM    4  C   UNK A   0      12.603   0.460   0.377  1.00  0.00           C  
HETATM    5  C   UNK A   0      13.689  -0.160  -0.463  1.00  0.00           C  
HETATM    6  C   UNK A   0      14.288   0.573  -1.470  1.00  0.00           C  
HETATM    7  C   UNK A   0      15.284   0.004  -2.241  1.00  0.00           C  
HETATM    8  C   UNK A   0      15.681  -1.299  -2.005  1.00  0.00           C  
HETATM    9  C   UNK A   0      15.083  -2.032  -0.998  1.00  0.00           C  
HETATM   10  C   UNK A   0      14.090  -1.462  -0.224  1.00  0.00           C  
ATOM     11  N   VAL A   1       9.000   0.505  -0.126  1.00  0.00           N  
ATOM     12  CA  VAL A   1       7.821   1.035   0.563  1.00  0.00           C  
ATOM     13  C   VAL A   1       6.611   0.216   0.192  1.00  0.00           C  
ATOM     14  O   VAL A   1       6.680  -0.592  -0.710  1.00  0.00           O  
ATOM     15  CB  VAL A   1       7.599   2.491   0.147  1.00  0.00           C  
ATOM     16  CG1 VAL A   1       8.795   3.336   0.591  1.00  0.00           C  
ATOM     17  CG2 VAL A   1       7.454   2.570  -1.373  1.00  0.00           C  
ATOM     18  N   ASN A   2       5.453   0.383   0.861  1.00  0.00           N  
ATOM     19  CA  ASN A   2       4.306  -0.478   0.564  1.00  0.00           C  
ATOM     20  C   ASN A   2       3.062   0.366   0.446  1.00  0.00           C  
ATOM     21  O   ASN A   2       3.129   1.568   0.595  1.00  0.00           O  
ATOM     22  CB  ASN A   2       4.126  -1.496   1.692  1.00  0.00           C  
ATOM     23  CG  ASN A   2       5.306  -2.432   1.717  1.00  0.00           C  
ATOM     24  OD1 ASN A   2       6.218  -2.279   0.932  1.00  0.00           O  
ATOM     25  ND2 ASN A   2       5.349  -3.440   2.611  1.00  0.00           N  
HETATM   26  N   UNK A   3       1.877  -0.215   0.174  1.00  0.00           N  
HETATM   27  C   UNK A   3       0.669   0.605   0.059  1.00  0.00           C  
HETATM   28  C   UNK A   3      -0.542  -0.238   0.366  1.00  0.00           C  
HETATM   29  O   UNK A   3      -0.408  -1.409   0.653  1.00  0.00           O  
HETATM   30  C   UNK A   3       0.559   1.155  -1.364  1.00  0.00           C  
HETATM   31  O   UNK A   3       0.371   0.074  -2.280  1.00  0.00           O  
HETATM   32  N   UNK A   3      -1.773   0.309   0.322  1.00  0.00           N  
HETATM   33  C   UNK A   3      -2.950  -0.511   0.621  1.00  0.00           C  
HETATM   34  C   UNK A   3      -4.159   0.080  -0.057  1.00  0.00           C  
HETATM   35  O   UNK A   3      -4.049   1.087  -0.724  1.00  0.00           O  
HETATM   36  C   UNK A   3      -3.178  -0.543   2.134  1.00  0.00           C  
HETATM   37  O   UNK A   3      -3.505   0.770   2.595  1.00  0.00           O  
HETATM   38  C   UNK A   3      -1.905  -1.026   2.831  1.00  0.00           C  
HETATM   39  N   UNK A   3      -5.363  -0.510   0.078  1.00  0.00           N  
HETATM   40  C   UNK A   3      -6.516   0.000  -0.668  1.00  0.00           C  
HETATM   41  C   UNK A   3      -7.780  -0.298   0.097  1.00  0.00           C  
HETATM   42  O   UNK A   3      -7.751  -1.048   1.049  1.00  0.00           O  
HETATM   43  C   UNK A   3      -6.577  -0.678  -2.038  1.00  0.00           C  
HETATM   44  C   UNK A   3      -7.791  -0.158  -2.811  1.00  0.00           C  
HETATM   45  C   UNK A   3      -7.596   1.327  -3.127  1.00  0.00           C  
HETATM   46  C   UNK A   3      -7.939  -0.942  -4.116  1.00  0.00           C  
HETATM   47  N   UNK A   3      -8.944   0.269  -0.279  1.00  0.00           N  
HETATM   48  C   UNK A   3     -10.183  -0.064   0.429  1.00  0.00           C  
HETATM   49  C   UNK A   3     -10.773  -1.321  -0.156  1.00  0.00           C  
HETATM   50  O   UNK A   3     -10.385  -1.731  -1.224  1.00  0.00           O  
HETATM   51  C   UNK A   3     -11.181   1.086   0.279  1.00  0.00           C  
HETATM   52  C   UNK A   3     -10.635   2.330   0.982  1.00  0.00           C  
HETATM   53  C   UNK A   3     -11.618   3.462   0.834  1.00  0.00           C  
HETATM   54  O   UNK A   3     -12.653   3.291   0.226  1.00  0.00           O  
HETATM   55  N   UNK A   3     -11.347   4.666   1.378  1.00  0.00           N  
HETATM   56  C   UNK A   3     -11.848  -2.068   0.591  1.00  0.00           C  
HETATM   57 CL   UNK A   3     -12.346  -3.517  -0.359  1.00  0.00          Cl  
HETATM   58  H   UNK A   0      12.770   1.535   0.451  1.00  0.00           H  
HETATM   59  H   UNK A   0      12.619   0.021   1.375  1.00  0.00           H  
HETATM   60  H   UNK A   0      13.978   1.591  -1.654  1.00  0.00           H  
HETATM   61  H   UNK A   0      15.752   0.577  -3.028  1.00  0.00           H  
HETATM   62  H   UNK A   0      16.459  -1.744  -2.608  1.00  0.00           H  
HETATM   63  H   UNK A   0      15.393  -3.050  -0.813  1.00  0.00           H  
HETATM   64  H   UNK A   0      13.625  -2.033   0.566  1.00  0.00           H  
ATOM     65  H   VAL A   1       8.896   0.010  -0.953  1.00  0.00           H  
ATOM     66  HA  VAL A   1       7.976   0.985   1.641  1.00  0.00           H  
ATOM     67  HB  VAL A   1       6.692   2.869   0.619  1.00  0.00           H  
ATOM     68 HG11 VAL A   1       9.702   2.957   0.119  1.00  0.00           H  
ATOM     69 HG12 VAL A   1       8.637   4.373   0.294  1.00  0.00           H  
ATOM     70 HG13 VAL A   1       8.898   3.279   1.674  1.00  0.00           H  
ATOM     71 HG21 VAL A   1       6.653   1.906  -1.697  1.00  0.00           H  
ATOM     72 HG22 VAL A   1       7.216   3.594  -1.663  1.00  0.00           H  
ATOM     73 HG23 VAL A   1       8.389   2.267  -1.844  1.00  0.00           H  
ATOM     74  H   ASN A   2       5.380   1.072   1.539  1.00  0.00           H  
ATOM     75  HA  ASN A   2       4.479  -1.003  -0.375  1.00  0.00           H  
ATOM     76  HB1 ASN A   2       4.057  -0.973   2.646  1.00  0.00           H  
ATOM     77  HB2 ASN A   2       3.213  -2.066   1.524  1.00  0.00           H  
ATOM     78 HD21 ASN A   2       4.619  -3.562   3.238  1.00  0.00           H  
ATOM     79 HD22 ASN A   2       6.108  -4.042   2.626  1.00  0.00           H  
HETATM   80  H   UNK A   3       1.824  -1.176   0.055  1.00  0.00           H  
HETATM   81  H   UNK A   3       0.723   1.434   0.766  1.00  0.00           H  
HETATM   82  H   UNK A   3      -0.290   1.836  -1.426  1.00  0.00           H  
HETATM   83  H   UNK A   3       1.474   1.691  -1.618  1.00  0.00           H  
HETATM   84  H   UNK A   3       0.293   0.350  -3.203  1.00  0.00           H  
HETATM   85  H   UNK A   3      -1.880   1.245   0.093  1.00  0.00           H  
HETATM   86  H   UNK A   3      -2.788  -1.525   0.256  1.00  0.00           H  
HETATM   87  H   UNK A   3      -3.998  -1.223   2.363  1.00  0.00           H  
HETATM   88  H   UNK A   3      -3.663   0.824   3.547  1.00  0.00           H  
HETATM   89  H   UNK A   3      -1.085  -0.346   2.602  1.00  0.00           H  
HETATM   90  H   UNK A   3      -2.068  -1.049   3.909  1.00  0.00           H  
HETATM   91  H   UNK A   3      -1.656  -2.028   2.480  1.00  0.00           H  
HETATM   92  H   UNK A   3      -5.466  -1.272   0.669  1.00  0.00           H  
HETATM   93  H   UNK A   3      -6.417   1.077  -0.799  1.00  0.00           H  
HETATM   94  H   UNK A   3      -5.668  -0.453  -2.595  1.00  0.00           H  
HETATM   95  H   UNK A   3      -6.666  -1.757  -1.906  1.00  0.00           H  
HETATM   96  H   UNK A   3      -8.689  -0.286  -2.207  1.00  0.00           H  
HETATM   97  H   UNK A   3      -7.588   1.898  -2.198  1.00  0.00           H  
HETATM   98  H   UNK A   3      -6.648   1.466  -3.647  1.00  0.00           H  
HETATM   99  H   UNK A   3      -8.413   1.674  -3.760  1.00  0.00           H  
HETATM  100  H   UNK A   3      -8.077  -1.999  -3.891  1.00  0.00           H  
HETATM  101  H   UNK A   3      -8.803  -0.571  -4.667  1.00  0.00           H  
HETATM  102  H   UNK A   3      -7.041  -0.814  -4.721  1.00  0.00           H  
HETATM  103  H   UNK A   3      -8.962   0.897  -1.017  1.00  0.00           H  
HETATM  104  H   UNK A   3      -9.967  -0.222   1.486  1.00  0.00           H  
HETATM  105  H   UNK A   3     -11.330   1.302  -0.779  1.00  0.00           H  
HETATM  106  H   UNK A   3     -12.132   0.802   0.729  1.00  0.00           H  
HETATM  107  H   UNK A   3     -10.486   2.113   2.040  1.00  0.00           H  
HETATM  108  H   UNK A   3      -9.684   2.614   0.532  1.00  0.00           H  
HETATM  109  H   UNK A   3     -10.519   4.802   1.864  1.00  0.00           H  
HETATM  110  H   UNK A   3     -11.980   5.394   1.283  1.00  0.00           H  
HETATM  111  H   UNK A   3     -11.464  -2.384   1.561  1.00  0.00           H  
HETATM  112  H   UNK A   3     -12.709  -1.415   0.737  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   58   59                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   60                                       
CONECT    7    6    8    8   61                                       
CONECT    8    7    7    9   62                                       
CONECT    9    8   10   10   63                                       
CONECT   10    5    9    9   64                                       
CONECT   11   12   65    1                                            
CONECT   12   11   13   15   66                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   67                                       
CONECT   16   15   68   69   70                                       
CONECT   17   15   71   72   73                                       
CONECT   18   19   74   13                                            
CONECT   19   18   20   22   75                                       
CONECT   20   19   21   21   26                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   76   77                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   78   79                                            
CONECT   26   27   80   20                                            
CONECT   27   26   28   30   81                                       
CONECT   28   27   29   29   32                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   82   83                                       
CONECT   31   30   84                                                 
CONECT   32   33   85   28                                            
CONECT   33   32   34   36   86                                       
CONECT   34   33   35   35   39                                       
CONECT   35   34   34                                                 
CONECT   36   33   37   38   87                                       
CONECT   37   36   88                                                 
CONECT   38   36   89   90   91                                       
CONECT   39   40   92   34                                            
CONECT   40   39   41   43   93                                       
CONECT   41   40   42   42   47                                       
CONECT   42   41   41                                                 
CONECT   43   40   44   94   95                                       
CONECT   44   43   45   46   96                                       
CONECT   45   44   97   98   99                                       
CONECT   46   44  100  101  102                                       
CONECT   47   48  103   41                                            
CONECT   48   47   49   51  104                                       
CONECT   49   48   50   50   56                                       
CONECT   50   49   49                                                 
CONECT   51   48   52  105  106                                       
CONECT   52   51   53  107  108                                       
CONECT   53   52   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53  109  110                                            
CONECT   56   57  111  112   49                                       
CONECT   57   56                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   45                                                      
CONECT   98   45                                                      
CONECT   99   45                                                      
CONECT  100   46                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   51                                                      
CONECT  106   51                                                      
CONECT  107   52                                                      
CONECT  108   52                                                      
CONECT  109   55                                                      
CONECT  110   55                                                      
CONECT  111   56                                                      
CONECT  112   56                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
