COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       8.665   1.297  -1.101  1.00  0.00           C  
HETATM    2  C   UNK A   0       7.441   1.843  -1.439  1.00  0.00           C  
HETATM    3  C   UNK A   0       6.272   1.239  -1.023  1.00  0.00           C  
HETATM    4  C   UNK A   0       6.324   0.072  -0.258  1.00  0.00           C  
HETATM    5  C   UNK A   0       7.561  -0.478   0.083  1.00  0.00           C  
HETATM    6  C   UNK A   0       8.727   0.137  -0.340  1.00  0.00           C  
HETATM    7  C   UNK A   0       7.626  -1.737   0.908  1.00  0.00           C  
HETATM    8  C   UNK A   0       5.074  -0.577   0.190  1.00  0.00           C  
HETATM    9  O   UNK A   0       9.933  -0.398  -0.014  1.00  0.00           O  
HETATM   10  O   UNK A   0       5.117  -1.651   0.758  1.00  0.00           O  
ATOM     11  N   VAL A   1       3.887   0.021  -0.031  1.00  0.00           N  
ATOM     12  CA  VAL A   1       2.648  -0.623   0.414  1.00  0.00           C  
ATOM     13  C   VAL A   1       1.499  -0.138  -0.432  1.00  0.00           C  
ATOM     14  O   VAL A   1       1.695   0.666  -1.318  1.00  0.00           O  
ATOM     15  CB  VAL A   1       2.387  -0.270   1.879  1.00  0.00           C  
ATOM     16  CG2 VAL A   1       3.554  -0.763   2.738  1.00  0.00           C  
ATOM     17  CG1 VAL A   1       2.253   1.247   2.023  1.00  0.00           C  
HETATM   18  N   UNK A   2       0.253  -0.598  -0.203  1.00  0.00           N  
HETATM   19  C   UNK A   2      -0.864  -0.126  -1.025  1.00  0.00           C  
HETATM   20  C   UNK A   2      -2.150  -0.262  -0.251  1.00  0.00           C  
HETATM   21  O   UNK A   2      -2.135  -0.709   0.877  1.00  0.00           O  
HETATM   22  C   UNK A   2      -0.947  -0.965  -2.302  1.00  0.00           C  
HETATM   23  O   UNK A   2      -1.270  -2.316  -1.965  1.00  0.00           O  
HETATM   24  O   UNK A   2      -4.803  -4.444  -1.155  1.00  0.00           O  
HETATM   25  S   UNK A   2      -4.794  -4.118   0.228  1.00  0.00           S  
HETATM   26  O   UNK A   2      -5.998  -4.229   0.974  1.00  0.00           O  
HETATM   27  C   UNK A   2      -3.514  -5.109   1.046  1.00  0.00           C  
HETATM   28  C   UNK A   2      -4.146  -2.435   0.422  1.00  0.00           C  
HETATM   29  C   UNK A   2      -5.113  -1.439  -0.222  1.00  0.00           C  
HETATM   30  C   UNK A   2      -4.567  -0.019  -0.058  1.00  0.00           C  
HETATM   31  C   UNK A   2      -5.591   0.985  -0.590  1.00  0.00           C  
HETATM   32  C   UNK A   2      -5.108   2.387  -0.318  1.00  0.00           C  
HETATM   33  C   UNK A   2      -5.442   3.015   0.867  1.00  0.00           C  
HETATM   34  C   UNK A   2      -4.999   4.301   1.117  1.00  0.00           C  
HETATM   35  C   UNK A   2      -4.221   4.957   0.182  1.00  0.00           C  
HETATM   36  C   UNK A   2      -3.738   6.359   0.454  1.00  0.00           C  
HETATM   37  N   UNK A   2      -2.438   6.304   1.135  1.00  0.00           N  
HETATM   38  C   UNK A   2      -3.886   4.328  -1.003  1.00  0.00           C  
HETATM   39  C   UNK A   2      -4.325   3.041  -1.251  1.00  0.00           C  
HETATM   40  N   UNK A   2      -3.317   0.113  -0.811  1.00  0.00           N  
HETATM   41  H   UNK A   0       9.576   1.772  -1.433  1.00  0.00           H  
HETATM   42  H   UNK A   0       7.399   2.745  -2.031  1.00  0.00           H  
HETATM   43  H   UNK A   0       5.318   1.668  -1.289  1.00  0.00           H  
HETATM   44  H   UNK A   0       7.510  -2.604   0.258  1.00  0.00           H  
HETATM   45  H   UNK A   0       8.589  -1.789   1.415  1.00  0.00           H  
HETATM   46  H   UNK A   0       6.826  -1.728   1.648  1.00  0.00           H  
HETATM   47  H   UNK A   0      10.298  -0.068   0.818  1.00  0.00           H  
ATOM     48  H   VAL A   1       3.853   0.878  -0.484  1.00  0.00           H  
ATOM     49  HA  VAL A   1       2.744  -1.704   0.311  1.00  0.00           H  
ATOM     50  HB  VAL A   1       1.466  -0.749   2.210  1.00  0.00           H  
ATOM     51 HG21 VAL A   1       3.368  -0.512   3.782  1.00  0.00           H  
ATOM     52 HG22 VAL A   1       3.650  -1.844   2.635  1.00  0.00           H  
ATOM     53 HG23 VAL A   1       4.476  -0.284   2.407  1.00  0.00           H  
ATOM     54 HG11 VAL A   1       1.422   1.598   1.411  1.00  0.00           H  
ATOM     55 HG12 VAL A   1       2.067   1.498   3.067  1.00  0.00           H  
ATOM     56 HG13 VAL A   1       3.175   1.726   1.692  1.00  0.00           H  
HETATM   57  H   UNK A   2       0.096  -1.241   0.506  1.00  0.00           H  
HETATM   58  H   UNK A   2      -0.707   0.920  -1.287  1.00  0.00           H  
HETATM   59  H   UNK A   2      -1.721  -0.559  -2.954  1.00  0.00           H  
HETATM   60  H   UNK A   2       0.013  -0.938  -2.818  1.00  0.00           H  
HETATM   61  H   UNK A   2      -1.339  -2.906  -2.728  1.00  0.00           H  
HETATM   62  H   UNK A   2      -2.559  -4.957   0.542  1.00  0.00           H  
HETATM   63  H   UNK A   2      -3.427  -4.801   2.089  1.00  0.00           H  
HETATM   64  H   UNK A   2      -3.785  -6.163   1.000  1.00  0.00           H  
HETATM   65  H   UNK A   2      -4.041  -2.206   1.482  1.00  0.00           H  
HETATM   66  H   UNK A   2      -3.173  -2.362  -0.064  1.00  0.00           H  
HETATM   67  H   UNK A   2      -5.218  -1.668  -1.282  1.00  0.00           H  
HETATM   68  H   UNK A   2      -6.086  -1.512   0.264  1.00  0.00           H  
HETATM   69  H   UNK A   2      -4.378   0.178   0.997  1.00  0.00           H  
HETATM   70  H   UNK A   2      -5.714   0.845  -1.664  1.00  0.00           H  
HETATM   71  H   UNK A   2      -6.547   0.828  -0.091  1.00  0.00           H  
HETATM   72  H   UNK A   2      -6.050   2.502   1.598  1.00  0.00           H  
HETATM   73  H   UNK A   2      -5.261   4.792   2.042  1.00  0.00           H  
HETATM   74  H   UNK A   2      -3.632   6.896  -0.489  1.00  0.00           H  
HETATM   75  H   UNK A   2      -4.459   6.875   1.087  1.00  0.00           H  
HETATM   76  H   UNK A   2      -2.092   7.232   1.329  1.00  0.00           H  
HETATM   77  H   UNK A   2      -2.495   5.756   1.981  1.00  0.00           H  
HETATM   78  H   UNK A   2      -3.277   4.841  -1.733  1.00  0.00           H  
HETATM   79  H   UNK A   2      -4.060   2.549  -2.174  1.00  0.00           H  
HETATM   80  H   UNK A   2      -3.329   0.470  -1.713  1.00  0.00           H  
CONECT    1    2    2    6   41                                       
CONECT    2    3    1    1   42                                       
CONECT    3    4    4    2   43                                       
CONECT    4    8    3    3    5                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5    1    9                                       
CONECT    7    5   44   45   46                                       
CONECT    8   11   10   10    4                                       
CONECT    9    6   47                                                 
CONECT   10    8    8                                                 
CONECT   11   12    8   48                                            
CONECT   12   13   15   11   49                                       
CONECT   13   18   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   17   12   16   50                                       
CONECT   16   15   51   52   53                                       
CONECT   17   15   54   55   56                                       
CONECT   18   19   13   57                                            
CONECT   19   20   22   18   58                                       
CONECT   20   40   21   21   19                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   59   60                                       
CONECT   23   22   61                                                 
CONECT   24   25   25                                                 
CONECT   25   28   26   26   27                                       
CONECT   25   24   24                                                 
CONECT   26   25   25                                                 
CONECT   27   25   62   63   64                                       
CONECT   28   29   25   65   66                                       
CONECT   29   28   30   67   68                                       
CONECT   30   29   31   40   69                                       
CONECT   31   30   32   70   71                                       
CONECT   32   31   33   33   39                                       
CONECT   33   32   32   34   72                                       
CONECT   34   33   35   35   73                                       
CONECT   35   34   34   38   36                                       
CONECT   36   35   37   74   75                                       
CONECT   37   36   76   77                                            
CONECT   38   39   39   35   78                                       
CONECT   39   32   38   38   79                                       
CONECT   40   30   20   80                                            
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
