COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.287   2.071   1.429  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.348   1.238   1.424  1.00  0.00           C  
HETATM    3  OXT UNL     1      -2.458   1.666   1.674  1.00  0.00           O  
HETATM    4  CA  UNL     1      -1.161  -0.189   1.117  1.00  0.00           C  
HETATM    5  N   UNL     1       0.026  -0.710   0.837  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.195  -1.077   1.102  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.637  -0.746   1.389  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.341  -0.361   0.086  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.805  -0.026   0.377  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.462   0.334  -0.840  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.778   0.663  -0.757  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.478   1.023  -1.899  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.815   1.357  -1.812  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.456   1.334  -0.587  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.915   1.699  -0.495  1.00  0.00           C  
HETATM   16  N   UNL     1     -12.734   0.492  -0.670  1.00  0.00           N  
HETATM   17  C   UNL     1      -9.761   0.975   0.553  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.425   0.635   0.470  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.591  -2.627   0.706  1.00  0.00           S  
HETATM   20  C   UNL     1       0.041  -1.982   0.585  1.00  0.00           C  
HETATM   21  C   UNL     1       1.247  -2.771   0.250  1.00  0.00           C  
HETATM   22  C   UNL     1       1.143  -4.140  -0.003  1.00  0.00           C  
HETATM   23  C   UNL     1       2.266  -4.878  -0.314  1.00  0.00           C  
HETATM   24  C   UNL     1       3.510  -4.274  -0.379  1.00  0.00           C  
HETATM   25  C   UNL     1       4.713  -5.115  -0.714  1.00  0.00           C  
HETATM   26  C   UNL     1       5.845  -4.262  -1.280  1.00  0.00           C  
HETATM   27  C   UNL     1       6.169  -3.129  -0.298  1.00  0.00           C  
HETATM   28  C   UNL     1       2.492  -2.151   0.180  1.00  0.00           C  
HETATM   29  C   UNL     1       3.623  -2.905  -0.131  1.00  0.00           C  
HETATM   30  C   UNL     1       4.944  -2.243  -0.209  1.00  0.00           C  
HETATM   31  N   UNL     1       5.049  -0.950  -0.202  1.00  0.00           N  
HETATM   32  N   UNL     1       6.312  -0.349  -0.277  1.00  0.00           N  
HETATM   33  C   UNL     1       6.424   1.027  -0.269  1.00  0.00           C  
HETATM   34  S   UNL     1       7.940   1.912  -0.357  1.00  0.00           S  
HETATM   35  C   UNL     1       7.068   3.441  -0.285  1.00  0.00           C  
HETATM   36  C   UNL     1       7.523   4.757  -0.300  1.00  0.00           C  
HETATM   37  C   UNL     1       6.627   5.801  -0.232  1.00  0.00           C  
HETATM   38  N   UNL     1       5.430   1.846  -0.202  1.00  0.00           N  
HETATM   39  C   UNL     1       5.700   3.166  -0.200  1.00  0.00           C  
HETATM   40  C   UNL     1       4.801   4.251  -0.132  1.00  0.00           C  
HETATM   41  C   UNL     1       5.266   5.542  -0.147  1.00  0.00           C  
HETATM   42  H   UNL     1      -0.459   2.999   1.637  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.129  -1.616   1.824  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.687   0.088   2.089  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.848   0.508  -0.350  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.291  -1.195  -0.614  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.297  -0.895   0.812  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.854   0.808   1.077  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.977   1.041  -2.856  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.883   0.351   1.360  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.361   1.637  -2.701  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.119   2.137   0.483  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.160   2.420  -1.274  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.264   0.958   1.509  1.00  0.00           H  
HETATM   55  H   UNL     1     -13.718   0.711  -0.612  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.517   0.031  -1.541  1.00  0.00           H  
HETATM   57  H   UNL     1       0.178  -4.624   0.044  1.00  0.00           H  
HETATM   58  H   UNL     1       2.582  -1.092   0.371  1.00  0.00           H  
HETATM   59  H   UNL     1       2.174  -5.937  -0.507  1.00  0.00           H  
HETATM   60  H   UNL     1       5.060  -5.615   0.190  1.00  0.00           H  
HETATM   61  H   UNL     1       4.429  -5.866  -1.450  1.00  0.00           H  
HETATM   62  H   UNL     1       6.729  -4.883  -1.424  1.00  0.00           H  
HETATM   63  H   UNL     1       5.538  -3.838  -2.236  1.00  0.00           H  
HETATM   64  H   UNL     1       6.399  -3.543   0.684  1.00  0.00           H  
HETATM   65  H   UNL     1       7.018  -2.552  -0.665  1.00  0.00           H  
HETATM   66  H   UNL     1       7.108  -0.900  -0.334  1.00  0.00           H  
HETATM   67  H   UNL     1       8.582   4.961  -0.366  1.00  0.00           H  
HETATM   68  H   UNL     1       6.983   6.820  -0.243  1.00  0.00           H  
HETATM   69  H   UNL     1       4.567   6.363  -0.094  1.00  0.00           H  
HETATM   70  H   UNL     1       3.739   4.065  -0.067  1.00  0.00           H  
CONECT    1    2   42                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    6    6                                       
CONECT    5    4   20   20                                            
CONECT    6    4    4    7   19                                       
CONECT    7    6    8   43   44                                       
CONECT    8    7    9   45   46                                       
CONECT    9    8   10   47   48                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   18   18                                       
CONECT   12   11   13   13   49                                       
CONECT   13   12   12   14   51                                       
CONECT   14   13   15   17   17                                       
CONECT   15   14   16   52   53                                       
CONECT   16   15   55   56                                            
CONECT   17   14   14   18   54                                       
CONECT   18   11   11   17   50                                       
CONECT   19    6   20                                                 
CONECT   20    5    5   19   21                                       
CONECT   21   20   22   28   28                                       
CONECT   22   21   23   23   57                                       
CONECT   23   22   22   24   59                                       
CONECT   24   23   25   29   29                                       
CONECT   25   24   26   60   61                                       
CONECT   26   25   27   62   63                                       
CONECT   27   26   30   64   65                                       
CONECT   28   21   21   29   58                                       
CONECT   29   24   24   28   30                                       
CONECT   30   27   29   31   31                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   66                                            
CONECT   33   32   34   38   38                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   39   39                                       
CONECT   36   35   37   37   67                                       
CONECT   37   36   36   41   68                                       
CONECT   38   33   33   39                                            
CONECT   39   35   35   38   40                                       
CONECT   40   39   41   41   70                                       
CONECT   41   37   40   40   69                                       
CONECT   42    1                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   12                                                      
CONECT   50   18                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   17                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   22                                                      
CONECT   58   28                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   32                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   41                                                      
CONECT   70   40                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
