COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.847   0.594  -1.855  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.699  -0.022  -0.817  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.690  -0.053   0.095  1.00  0.00           N  
HETATM    4  CA  UNL     1      -5.946   0.655  -0.163  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.805   2.096   0.252  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.763   2.492   0.716  1.00  0.00           O  
HETATM    7  C   UNL     1      -7.074   0.001   0.638  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.747   0.072   2.131  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.386   0.740   0.368  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.217  -1.463   0.216  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.431  -0.736  -0.556  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.262  -1.444   0.638  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.085  -2.112   0.889  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.408  -0.703  -1.501  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.213  -1.372  -1.251  1.00  0.00           C  
HETATM   16  C   UNL     1       0.876  -1.342  -2.246  1.00  0.00           C  
HETATM   17  O   UNL     1       0.715  -0.665  -3.400  1.00  0.00           O  
HETATM   18  O   UNL     1       1.918  -1.927  -2.024  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.052  -2.088  -0.048  1.00  0.00           C  
HETATM   20  C   UNL     1       1.211  -2.807   0.224  1.00  0.00           C  
HETATM   21  C   UNL     1       1.227  -4.203   0.331  1.00  0.00           C  
HETATM   22  C   UNL     1       2.430  -4.830   0.585  1.00  0.00           C  
HETATM   23  C   UNL     1       3.586  -4.062   0.728  1.00  0.00           C  
HETATM   24  O   UNL     1       4.768  -4.677   0.979  1.00  0.00           O  
HETATM   25  C   UNL     1       5.756  -3.649   1.073  1.00  0.00           C  
HETATM   26  N   UNL     1       3.546  -2.747   0.628  1.00  0.00           N  
HETATM   27  C   UNL     1       2.415  -2.100   0.379  1.00  0.00           C  
HETATM   28  C   UNL     1       2.420  -0.624   0.270  1.00  0.00           C  
HETATM   29  O   UNL     1       1.385  -0.028   0.046  1.00  0.00           O  
HETATM   30  N   UNL     1       3.573   0.058   0.418  1.00  0.00           N  
HETATM   31  C   UNL     1       3.561   1.456   0.431  1.00  0.00           C  
HETATM   32  C   UNL     1       2.519   2.138   1.047  1.00  0.00           C  
HETATM   33  C   UNL     1       2.510   3.519   1.058  1.00  0.00           C  
HETATM   34  C   UNL     1       3.537   4.223   0.456  1.00  0.00           C  
HETATM   35  C   UNL     1       3.523   5.730   0.468  1.00  0.00           C  
HETATM   36  N   UNL     1       4.200   6.236  -0.733  1.00  0.00           N  
HETATM   37  N   UNL     1       2.134   6.207   0.485  1.00  0.00           N  
HETATM   38  C   UNL     1       4.575   3.548  -0.159  1.00  0.00           C  
HETATM   39  C   UNL     1       4.593   2.167  -0.168  1.00  0.00           C  
HETATM   40  H   UNL     1      -4.572  -0.545   0.923  1.00  0.00           H  
HETATM   41  HA  UNL     1      -6.179   0.604  -1.227  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.636   2.776   0.135  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.644   1.115   2.431  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.550  -0.393   2.701  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.812  -0.455   2.323  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.619   0.690  -0.696  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.190   0.275   0.939  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.284   1.783   0.668  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.283  -1.989   0.409  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.021  -1.928   0.787  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.451  -1.513  -0.847  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.059  -1.467   1.367  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.961  -2.657   1.813  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.539  -0.157  -2.423  1.00  0.00           H  
HETATM   55  H   UNL     1       1.429  -0.645  -4.052  1.00  0.00           H  
HETATM   56  H   UNL     1       0.319  -4.777   0.216  1.00  0.00           H  
HETATM   57  H   UNL     1       2.477  -5.905   0.673  1.00  0.00           H  
HETATM   58  H   UNL     1       6.729  -4.097   1.275  1.00  0.00           H  
HETATM   59  H   UNL     1       5.798  -3.098   0.133  1.00  0.00           H  
HETATM   60  H   UNL     1       5.495  -2.967   1.882  1.00  0.00           H  
HETATM   61  H   UNL     1       4.411  -0.420   0.516  1.00  0.00           H  
HETATM   62  H   UNL     1       1.717   1.588   1.518  1.00  0.00           H  
HETATM   63  H   UNL     1       1.701   4.049   1.537  1.00  0.00           H  
HETATM   64  H   UNL     1       4.042   6.090   1.357  1.00  0.00           H  
HETATM   65  H   UNL     1       3.689   5.879  -1.526  1.00  0.00           H  
HETATM   66  H   UNL     1       4.077   7.237  -0.735  1.00  0.00           H  
HETATM   67  H   UNL     1       1.741   5.925   1.371  1.00  0.00           H  
HETATM   68  H   UNL     1       2.173   7.215   0.493  1.00  0.00           H  
HETATM   69  H   UNL     1       5.375   4.101  -0.629  1.00  0.00           H  
HETATM   70  H   UNL     1       5.404   1.640  -0.649  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    3    2    4   40                                            
CONECT    4    3    5    7   41                                       
CONECT    5    4    6    6   42                                       
CONECT    6    5    5                                                 
CONECT    7    4    8    9   10                                       
CONECT    8    7   43   44   45                                       
CONECT    9    7   46   47   48                                       
CONECT   10    7   49   50   51                                       
CONECT   11    2   12   12   14                                       
CONECT   12   11   11   13   52                                       
CONECT   13   12   19   19   53                                       
CONECT   14   11   15   15   54                                       
CONECT   15   14   14   16   19                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16   55                                                 
CONECT   18   16   16                                                 
CONECT   19   13   13   15   20                                       
CONECT   20   19   21   21   27                                       
CONECT   21   20   20   22   56                                       
CONECT   22   21   23   23   57                                       
CONECT   23   22   22   24   26                                       
CONECT   24   23   25                                                 
CONECT   25   24   58   59   60                                       
CONECT   26   23   27   27                                            
CONECT   27   20   26   26   28                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   61                                            
CONECT   31   30   32   32   39                                       
CONECT   32   31   31   33   62                                       
CONECT   33   32   34   34   63                                       
CONECT   34   33   33   35   38                                       
CONECT   35   34   36   37   64                                       
CONECT   36   35   65   66                                            
CONECT   37   35   67   68                                            
CONECT   38   34   39   39   69                                       
CONECT   39   31   38   38   70                                       
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   17                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
