COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  N   VAL A   1      -2.984   0.581  -0.188  1.00  0.00           N  
HETATM    2  C   UNK A   0      -9.077  -1.462   1.517  1.00  0.00           C  
HETATM    3  O   UNK A   0      -5.295   0.289  -0.051  1.00  0.00           O  
HETATM    4  C   UNK A   0      -9.739  -0.362   2.028  1.00  0.00           C  
ATOM      5  CB  VAL A   1      -1.604   2.265  -1.302  1.00  0.00           C  
ATOM      6  CG2 VAL A   1      -2.761   2.741  -2.182  1.00  0.00           C  
ATOM      7  CG1 VAL A   1      -1.597   3.059   0.005  1.00  0.00           C  
HETATM    8  C   UNK A   2       1.691  -0.609  -0.156  1.00  0.00           C  
HETATM    9  C   UNK A   2       2.976  -0.288  -0.874  1.00  0.00           C  
HETATM   10  C   UNK A   2       1.510  -2.127  -0.087  1.00  0.00           C  
HETATM   11  C   UNK A   2       0.272  -2.455   0.750  1.00  0.00           C  
HETATM   12  C   UNK A   3       5.400  -0.423  -1.085  1.00  0.00           C  
HETATM   13  C   UNK A   3       5.645  -1.463  -2.180  1.00  0.00           C  
HETATM   14  C   UNK A   3       6.561  -0.447  -0.089  1.00  0.00           C  
HETATM   15  C   UNK A   0      -9.370   0.911   1.634  1.00  0.00           C  
HETATM   16  C   UNK A   3       6.366   0.660   0.949  1.00  0.00           C  
HETATM   17  C   UNK A   3       6.455   2.051   0.280  1.00  0.00           C  
HETATM   18  C   UNK A   3       7.169   2.880   1.370  1.00  0.00           C  
HETATM   19  C   UNK A   3       7.502   0.655   1.948  1.00  0.00           C  
HETATM   20  C   UNK A   2      -0.017  -3.931   1.035  1.00  0.00           C  
HETATM   21  C   UNK A   2      -0.891  -3.157   0.045  1.00  0.00           C  
HETATM   22  C   UNK A   0      -8.339   1.083   0.730  1.00  0.00           C  
HETATM   23  C   UNK A   0      -7.677  -0.018   0.219  1.00  0.00           C  
HETATM   24  C   UNK A   0      -8.042  -1.290   0.617  1.00  0.00           C  
HETATM   25  C   UNK A   0      -6.552   0.169  -0.767  1.00  0.00           C  
HETATM   26  C   UNK A   0      -4.184   0.463  -0.791  1.00  0.00           C  
ATOM     27  CA  VAL A   1      -1.776   0.776  -0.993  1.00  0.00           C  
ATOM     28  C   VAL A   1      -0.577   0.280  -0.228  1.00  0.00           C  
HETATM   29  N   UNK A   2       0.565  -0.015  -0.881  1.00  0.00           N  
HETATM   30  N   UNK A   3       4.150  -0.734  -0.386  1.00  0.00           N  
HETATM   31  N   UNK A   3       7.935   1.910   2.161  1.00  0.00           N  
HETATM   32  O   UNK A   0      -4.263   0.513  -2.002  1.00  0.00           O  
ATOM     33  O   VAL A   1      -0.639   0.146   0.976  1.00  0.00           O  
HETATM   34  O   UNK A   2       2.953   0.371  -1.892  1.00  0.00           O  
HETATM   35  O   UNK A   3       7.956  -0.336   2.480  1.00  0.00           O  
HETATM   36  O   UNK A   3       5.856  -2.743  -1.582  1.00  0.00           O  
ATOM     37  H   VAL A   1      -2.922   0.541   0.779  1.00  0.00           H  
HETATM   38  H   UNK A   0      -9.365  -2.457   1.825  1.00  0.00           H  
HETATM   39  H   UNK A   0     -10.545  -0.496   2.735  1.00  0.00           H  
ATOM     40  HB  VAL A   1      -0.661   2.420  -1.827  1.00  0.00           H  
ATOM     41 HG21 VAL A   1      -2.639   3.801  -2.402  1.00  0.00           H  
ATOM     42 HG22 VAL A   1      -2.766   2.174  -3.113  1.00  0.00           H  
ATOM     43 HG23 VAL A   1      -3.704   2.585  -1.657  1.00  0.00           H  
ATOM     44 HG11 VAL A   1      -1.406   4.111  -0.209  1.00  0.00           H  
ATOM     45 HG12 VAL A   1      -2.565   2.959   0.497  1.00  0.00           H  
ATOM     46 HG13 VAL A   1      -0.815   2.674   0.661  1.00  0.00           H  
HETATM   47  H   UNK A   2       1.728  -0.201   0.855  1.00  0.00           H  
HETATM   48  H   UNK A   2       1.384  -2.524  -1.094  1.00  0.00           H  
HETATM   49  H   UNK A   2       2.389  -2.577   0.374  1.00  0.00           H  
HETATM   50  H   UNK A   2       0.026  -1.735   1.530  1.00  0.00           H  
HETATM   51  H   UNK A   3       5.327   0.568  -1.534  1.00  0.00           H  
HETATM   52  H   UNK A   3       4.778  -1.508  -2.839  1.00  0.00           H  
HETATM   53  H   UNK A   3       6.526  -1.182  -2.757  1.00  0.00           H  
HETATM   54  H   UNK A   3       6.589  -1.415   0.413  1.00  0.00           H  
HETATM   55  H   UNK A   3       7.499  -0.286  -0.620  1.00  0.00           H  
HETATM   56  H   UNK A   0      -9.888   1.771   2.033  1.00  0.00           H  
HETATM   57  H   UNK A   3       5.409   0.541   1.457  1.00  0.00           H  
HETATM   58  H   UNK A   3       7.052   2.008  -0.631  1.00  0.00           H  
HETATM   59  H   UNK A   3       5.461   2.449   0.075  1.00  0.00           H  
HETATM   60  H   UNK A   3       7.839   3.608   0.913  1.00  0.00           H  
HETATM   61  H   UNK A   3       6.436   3.386   2.000  1.00  0.00           H  
HETATM   62  H   UNK A   2       0.675  -4.667   0.626  1.00  0.00           H  
HETATM   63  H   UNK A   2      -0.453  -4.181   2.002  1.00  0.00           H  
HETATM   64  H   UNK A   2      -1.901  -2.898   0.361  1.00  0.00           H  
HETATM   65  H   UNK A   2      -0.774  -3.385  -1.015  1.00  0.00           H  
HETATM   66  H   UNK A   0      -8.051   2.077   0.422  1.00  0.00           H  
HETATM   67  H   UNK A   0      -7.525  -2.150   0.218  1.00  0.00           H  
HETATM   68  H   UNK A   0      -6.727   1.074  -1.349  1.00  0.00           H  
HETATM   69  H   UNK A   0      -6.509  -0.690  -1.436  1.00  0.00           H  
ATOM     70  HA  VAL A   1      -1.867   0.220  -1.926  1.00  0.00           H  
HETATM   71  H   UNK A   2       0.640   0.165  -1.831  1.00  0.00           H  
HETATM   72  H   UNK A   3       4.168  -1.262   0.428  1.00  0.00           H  
HETATM   73  H   UNK A   3       8.662   2.144   2.760  1.00  0.00           H  
HETATM   74  H   UNK A   3       6.018  -3.453  -2.218  1.00  0.00           H  
CONECT    1   27   26   37                                            
CONECT    2   24   24    4   38                                       
CONECT    3   26   25                                                 
CONECT    4   15   15    2   39                                       
CONECT    5   27    7    6   40                                       
CONECT    6    5   41   42   43                                       
CONECT    7    5   44   45   46                                       
CONECT    8   10    9   29   47                                       
CONECT    9   30    8   34   34                                       
CONECT   10   11    8   48   49                                       
CONECT   11   20   21   10   50                                       
CONECT   12   13   14   30   51                                       
CONECT   13   36   12   52   53                                       
CONECT   14   12   16   54   55                                       
CONECT   15   22    4    4   56                                       
CONECT   16   14   19   17   57                                       
CONECT   17   16   18   58   59                                       
CONECT   18   31   17   60   61                                       
CONECT   19   35   35   16   31                                       
CONECT   20   21   11   62   63                                       
CONECT   21   20   11   64   65                                       
CONECT   22   23   23   15   66                                       
CONECT   23   25   22   22   24                                       
CONECT   24   23    2    2   67                                       
CONECT   25    3   23   68   69                                       
CONECT   26    1    3   32   32                                       
CONECT   27   28    1    5   70                                       
CONECT   28   33   33   29   27                                       
CONECT   29    8   28   71                                            
CONECT   30   12    9   72                                            
CONECT   31   19   18   73                                            
CONECT   32   26   26                                                 
CONECT   33   28   28                                                 
CONECT   34    9    9                                                 
CONECT   35   19   19                                                 
CONECT   36   13   74                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   36                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
