COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       4.043   1.101  -0.065  1.00  0.00           C  
HETATM    2  O   UNK A   0       3.561   0.891   1.031  1.00  0.00           O  
HETATM    3  O   UNK A   0       5.203   1.777  -0.171  1.00  0.00           O  
HETATM    4  C   UNK A   0       5.821   2.224   1.064  1.00  0.00           C  
HETATM    5  C   UNK A   0       7.101   2.955   0.750  1.00  0.00           C  
HETATM    6  C   UNK A   0       7.081   4.321   0.536  1.00  0.00           C  
HETATM    7  C   UNK A   0       8.255   4.992   0.248  1.00  0.00           C  
HETATM    8  C   UNK A   0       9.448   4.298   0.173  1.00  0.00           C  
HETATM    9  C   UNK A   0       9.467   2.932   0.388  1.00  0.00           C  
HETATM   10  C   UNK A   0       8.294   2.262   0.680  1.00  0.00           C  
HETATM   11  C   UNK A   1       4.743  -5.732  -0.058  1.00  0.00           C  
HETATM   12  N   UNK A   1       3.420   0.654  -1.173  1.00  0.00           N  
HETATM   13  C   UNK A   1       2.161  -0.087  -1.057  1.00  0.00           C  
HETATM   14  C   UNK A   1       2.387  -1.350  -0.224  1.00  0.00           C  
HETATM   15  C   UNK A   1       3.341  -2.287  -0.967  1.00  0.00           C  
HETATM   16  C   UNK A   1       3.567  -3.551  -0.134  1.00  0.00           C  
HETATM   17  C   UNK A   1       4.520  -4.488  -0.878  1.00  0.00           C  
HETATM   18  C   UNK A   1       1.129   0.781  -0.384  1.00  0.00           C  
HETATM   19  O   UNK A   1       1.477   1.734   0.280  1.00  0.00           O  
HETATM   20  O   UNK A   1       4.195  -5.857   1.012  1.00  0.00           O  
HETATM   21  O   UNK A   1       5.550  -6.702  -0.515  1.00  0.00           O  
HETATM   22  C   UNK A   1       5.718  -7.873   0.328  1.00  0.00           C  
HETATM   23  C   UNK A   1       6.665  -8.861  -0.355  1.00  0.00           C  
ATOM     24  N   GLN A   2      -0.182   0.497  -0.520  1.00  0.00           N  
ATOM     25  CA  GLN A   2      -1.186   1.340   0.134  1.00  0.00           C  
ATOM     26  C   GLN A   2      -2.441   0.539   0.364  1.00  0.00           C  
ATOM     27  O   GLN A   2      -2.702  -0.400  -0.357  1.00  0.00           O  
ATOM     28  CB  GLN A   2      -1.503   2.541  -0.759  1.00  0.00           C  
ATOM     29  CG  GLN A   2      -0.260   3.424  -0.887  1.00  0.00           C  
ATOM     30  CD  GLN A   2      -0.573   4.607  -1.767  1.00  0.00           C  
ATOM     31  OE1 GLN A   2      -1.681   4.732  -2.244  1.00  0.00           O  
ATOM     32  NE2 GLN A   2       0.379   5.526  -2.024  1.00  0.00           N  
ATOM     33  N   PRO A   3      -3.275   0.868   1.372  1.00  0.00           N  
ATOM     34  CA  PRO A   3      -4.474   0.117   1.770  1.00  0.00           C  
ATOM     35  C   PRO A   3      -5.439   0.042   0.615  1.00  0.00           C  
ATOM     36  O   PRO A   3      -5.160   0.563  -0.444  1.00  0.00           O  
ATOM     37  CB  PRO A   3      -5.122   0.878   2.946  1.00  0.00           C  
ATOM     38  CG  PRO A   3      -4.566   2.317   2.776  1.00  0.00           C  
ATOM     39  CD  PRO A   3      -3.131   2.035   2.260  1.00  0.00           C  
ATOM     40  N   LEU A   4      -6.613  -0.604   0.759  1.00  0.00           N  
ATOM     41  CA  LEU A   4      -7.551  -0.677  -0.364  1.00  0.00           C  
ATOM     42  C   LEU A   4      -8.404   0.566  -0.388  1.00  0.00           C  
ATOM     43  O   LEU A   4      -8.244   1.424   0.447  1.00  0.00           O  
ATOM     44  CB  LEU A   4      -8.447  -1.906  -0.201  1.00  0.00           C  
ATOM     45  CG  LEU A   4      -7.590  -3.172  -0.254  1.00  0.00           C  
ATOM     46  CD1 LEU A   4      -8.458  -4.390   0.070  1.00  0.00           C  
ATOM     47  CD2 LEU A   4      -6.996  -3.328  -1.655  1.00  0.00           C  
ATOM     48  OXT LEU A   4      -9.340   0.719  -1.337  1.00  0.00           O  
HETATM   49  H   UNK A   0       5.140   2.892   1.590  1.00  0.00           H  
HETATM   50  H   UNK A   0       6.041   1.361   1.693  1.00  0.00           H  
HETATM   51  H   UNK A   0       6.149   4.863   0.595  1.00  0.00           H  
HETATM   52  H   UNK A   0       8.239   6.059   0.080  1.00  0.00           H  
HETATM   53  H   UNK A   0      10.364   4.822  -0.053  1.00  0.00           H  
HETATM   54  H   UNK A   0      10.399   2.390   0.329  1.00  0.00           H  
HETATM   55  H   UNK A   0       8.310   1.196   0.852  1.00  0.00           H  
HETATM   56  H   UNK A   1       3.805   0.821  -2.047  1.00  0.00           H  
HETATM   57  H   UNK A   1       1.810  -0.365  -2.051  1.00  0.00           H  
HETATM   58  H   UNK A   1       2.822  -1.078   0.738  1.00  0.00           H  
HETATM   59  H   UNK A   1       1.434  -1.854  -0.063  1.00  0.00           H  
HETATM   60  H   UNK A   1       2.906  -2.559  -1.929  1.00  0.00           H  
HETATM   61  H   UNK A   1       4.293  -1.783  -1.129  1.00  0.00           H  
HETATM   62  H   UNK A   1       4.001  -3.279   0.827  1.00  0.00           H  
HETATM   63  H   UNK A   1       2.614  -4.055   0.027  1.00  0.00           H  
HETATM   64  H   UNK A   1       5.473  -3.984  -1.039  1.00  0.00           H  
HETATM   65  H   UNK A   1       4.086  -4.760  -1.840  1.00  0.00           H  
HETATM   66  H   UNK A   1       6.137  -7.571   1.288  1.00  0.00           H  
HETATM   67  H   UNK A   1       4.750  -8.348   0.487  1.00  0.00           H  
HETATM   68  H   UNK A   1       6.246  -9.163  -1.315  1.00  0.00           H  
HETATM   69  H   UNK A   1       7.633  -8.386  -0.514  1.00  0.00           H  
HETATM   70  H   UNK A   1       6.791  -9.740   0.278  1.00  0.00           H  
ATOM     71  H   GLN A   2      -0.461  -0.265  -1.051  1.00  0.00           H  
ATOM     72  HA  GLN A   2      -0.798   1.691   1.091  1.00  0.00           H  
ATOM     73  HB1 GLN A   2      -1.804   2.191  -1.746  1.00  0.00           H  
ATOM     74  HB2 GLN A   2      -2.314   3.119  -0.316  1.00  0.00           H  
ATOM     75  HG1 GLN A   2       0.041   3.774   0.100  1.00  0.00           H  
ATOM     76  HG2 GLN A   2       0.552   2.846  -1.330  1.00  0.00           H  
ATOM     77 HE21 GLN A   2       1.265   5.426  -1.642  1.00  0.00           H  
ATOM     78 HE22 GLN A   2       0.178   6.288  -2.590  1.00  0.00           H  
ATOM     79  HA  PRO A   3      -4.195  -0.888   2.085  1.00  0.00           H  
ATOM     80  HB1 PRO A   3      -6.208   0.872   2.859  1.00  0.00           H  
ATOM     81  HB2 PRO A   3      -4.808   0.454   3.900  1.00  0.00           H  
ATOM     82  HG1 PRO A   3      -5.146   2.876   2.042  1.00  0.00           H  
ATOM     83  HG2 PRO A   3      -4.540   2.841   3.732  1.00  0.00           H  
ATOM     84  HD1 PRO A   3      -2.466   1.800   3.091  1.00  0.00           H  
ATOM     85  HD2 PRO A   3      -2.753   2.892   1.702  1.00  0.00           H  
ATOM     86  H   LEU A   4      -6.837  -1.021   1.605  1.00  0.00           H  
ATOM     87  HA  LEU A   4      -6.995  -0.754  -1.298  1.00  0.00           H  
ATOM     88  HB1 LEU A   4      -8.963  -1.856   0.758  1.00  0.00           H  
ATOM     89  HB2 LEU A   4      -9.181  -1.931  -1.007  1.00  0.00           H  
ATOM     90  HG  LEU A   4      -6.784  -3.096   0.476  1.00  0.00           H  
ATOM     91 HD11 LEU A   4      -9.211  -4.517  -0.708  1.00  0.00           H  
ATOM     92 HD12 LEU A   4      -7.832  -5.280   0.119  1.00  0.00           H  
ATOM     93 HD13 LEU A   4      -8.951  -4.240   1.031  1.00  0.00           H  
ATOM     94 HD21 LEU A   4      -6.377  -2.461  -1.886  1.00  0.00           H  
ATOM     95 HD22 LEU A   4      -6.385  -4.230  -1.692  1.00  0.00           H  
ATOM     96 HD23 LEU A   4      -7.801  -3.405  -2.385  1.00  0.00           H  
ATOM     97  HXT LEU A   4      -9.862   1.533  -1.312  1.00  0.00           H  
CONECT    1    2    2    3   12                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   49   50                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   51                                       
CONECT    7    6    8    8   52                                       
CONECT    8    7    7    9   53                                       
CONECT    9    8   10   10   54                                       
CONECT   10    5    9    9   55                                       
CONECT   11   20   20   21   17                                       
CONECT   12   13   56    1                                            
CONECT   13   12   14   18   57                                       
CONECT   14   13   15   58   59                                       
CONECT   15   14   16   60   61                                       
CONECT   16   15   17   62   63                                       
CONECT   17   11   16   64   65                                       
CONECT   18   13   19   19   24                                       
CONECT   19   18   18                                                 
CONECT   20   11   11                                                 
CONECT   21   11   22                                                 
CONECT   22   21   23   66   67                                       
CONECT   23   22   68   69   70                                       
CONECT   24   25   71   18                                            
CONECT   25   24   26   28   72                                       
CONECT   26   25   27   27   33                                       
CONECT   27   26   26                                                 
CONECT   28   25   29   73   74                                       
CONECT   29   28   30   75   76                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   77   78                                            
CONECT   33   34   39   26                                            
CONECT   34   33   35   37   79                                       
CONECT   35   34   36   36   40                                       
CONECT   36   35   35                                                 
CONECT   37   34   38   80   81                                       
CONECT   38   37   39   82   83                                       
CONECT   39   33   38   84   85                                       
CONECT   40   41   86   35                                            
CONECT   41   40   42   44   87                                       
CONECT   42   41   43   43   48                                       
CONECT   43   42   42                                                 
CONECT   44   41   45   88   89                                       
CONECT   45   44   46   47   90                                       
CONECT   46   45   91   92   93                                       
CONECT   47   45   94   95   96                                       
CONECT   48   42   97                                                 
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   44                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
CONECT   92   46                                                      
CONECT   93   46                                                      
CONECT   94   47                                                      
CONECT   95   47                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
