COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.856  -2.627   0.174  1.00  0.00           C  
HETATM    2  O   UNL     1       7.697  -2.711   0.526  1.00  0.00           O  
HETATM    3  N   UNL     1      -8.558  -2.446  -0.015  1.00  0.00           N  
HETATM    4  C   UNL     1       4.996  -2.213   1.023  1.00  0.00           C  
HETATM    5  O   UNL     1      -7.156  -4.154  -0.236  1.00  0.00           O  
HETATM    6  N   UNL     1       7.444  -2.954  -1.667  1.00  0.00           N  
HETATM    7  C   UNL     1      -6.324  -0.727   0.424  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.145  -2.091   0.192  1.00  0.00           C  
HETATM    9  C   UNL     1       4.650  -2.465  -1.352  1.00  0.00           C  
HETATM   10  C   UNL     1       5.508  -2.460  -0.252  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.523   2.253  -1.249  1.00  0.00           C  
HETATM   12  C   UNL     1       6.952  -2.716  -0.435  1.00  0.00           C  
HETATM   13  S   UNL     1      -2.557   0.589   0.883  1.00  0.00           S  
HETATM   14  C   UNL     1      -7.315  -2.966  -0.034  1.00  0.00           C  
HETATM   15  S   UNL     1       1.081  -1.675   0.310  1.00  0.00           S  
HETATM   16  O   UNL     1      -3.051   1.767   1.506  1.00  0.00           O  
HETATM   17  O   UNL     1       0.440  -2.123  -0.877  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.609   3.417  -0.964  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.740   4.126   0.216  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.636   3.772  -1.879  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.768  -1.805   0.384  1.00  0.00           C  
HETATM   22  C   UNL     1       3.647  -1.975   1.187  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.227   0.084   0.634  1.00  0.00           C  
HETATM   24  C   UNL     1       3.303  -2.226  -1.175  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.936   0.550  -2.797  1.00  0.00           C  
HETATM   26  N   UNL     1       0.438   0.205  -3.222  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.967   0.249  -1.277  1.00  0.00           C  
HETATM   28  C   UNL     1       0.455   0.691  -0.841  1.00  0.00           C  
HETATM   29  C   UNL     1       1.328   0.295  -2.050  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.952  -0.453   0.614  1.00  0.00           C  
HETATM   31  C   UNL     1       2.802  -1.981   0.092  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.994   1.048  -0.605  1.00  0.00           N  
HETATM   33  C   UNL     1      -0.902   5.194   0.477  1.00  0.00           C  
HETATM   34  C   UNL     1       0.202   4.840  -1.618  1.00  0.00           C  
HETATM   35  C   UNL     1       0.067   5.552  -0.441  1.00  0.00           C  
HETATM   36  N   UNL     1       0.877  -0.033   0.361  1.00  0.00           N  
HETATM   37  C   UNL     1       1.117   0.697   1.608  1.00  0.00           C  
HETATM   38  C   UNL     1       2.368   1.526   1.472  1.00  0.00           C  
HETATM   39  C   UNL     1       3.573   1.043   1.947  1.00  0.00           C  
HETATM   40  C   UNL     1       4.721   1.803   1.822  1.00  0.00           C  
HETATM   41  C   UNL     1       4.664   3.046   1.221  1.00  0.00           C  
HETATM   42  C   UNL     1       2.312   2.767   0.866  1.00  0.00           C  
HETATM   43  C   UNL     1       3.459   3.530   0.744  1.00  0.00           C  
HETATM   44  O   UNL     1       0.748  -2.161   1.603  1.00  0.00           O  
HETATM   45  O   UNL     1      -1.549  -0.231   1.459  1.00  0.00           O  
HETATM   46  H   UNL     1      -4.711  -3.683  -0.001  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.326  -3.020  -0.163  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.685  -1.498   0.146  1.00  0.00           H  
HETATM   49  H   UNL     1       5.654  -2.213   1.880  1.00  0.00           H  
HETATM   50  H   UNL     1       8.391  -3.122  -1.787  1.00  0.00           H  
HETATM   51  H   UNL     1       6.849  -2.958  -2.434  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.318  -0.306   0.440  1.00  0.00           H  
HETATM   53  H   UNL     1       5.040  -2.656  -2.342  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.517   2.467  -0.857  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.583   2.093  -2.325  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.498   3.846   0.933  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.531   3.215  -2.799  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.770  -2.218   0.370  1.00  0.00           H  
HETATM   59  H   UNL     1       3.250  -1.784   2.173  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.364   1.140   0.814  1.00  0.00           H  
HETATM   61  H   UNL     1       2.638  -2.229  -2.026  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.135   1.606  -2.978  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.663  -0.070  -3.321  1.00  0.00           H  
HETATM   64  H   UNL     1       0.751   0.815  -3.962  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.119  -0.815  -1.093  1.00  0.00           H  
HETATM   66  H   UNL     1       0.490   1.767  -0.674  1.00  0.00           H  
HETATM   67  H   UNL     1       1.799  -0.672  -1.868  1.00  0.00           H  
HETATM   68  H   UNL     1       2.091   1.054  -2.222  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.005   5.748   1.398  1.00  0.00           H  
HETATM   70  H   UNL     1       0.962   5.117  -2.333  1.00  0.00           H  
HETATM   71  H   UNL     1       0.722   6.386  -0.237  1.00  0.00           H  
HETATM   72  H   UNL     1       0.270   1.350   1.817  1.00  0.00           H  
HETATM   73  H   UNL     1       1.239  -0.013   2.427  1.00  0.00           H  
HETATM   74  H   UNL     1       3.618   0.071   2.417  1.00  0.00           H  
HETATM   75  H   UNL     1       5.662   1.426   2.194  1.00  0.00           H  
HETATM   76  H   UNL     1       5.560   3.641   1.123  1.00  0.00           H  
HETATM   77  H   UNL     1       1.372   3.143   0.491  1.00  0.00           H  
HETATM   78  H   UNL     1       3.415   4.501   0.275  1.00  0.00           H  
CONECT    1    8    8   21   46                                       
CONECT    2   12   12                                                 
CONECT    3   14   47   48                                            
CONECT    4   22   22   10   49                                       
CONECT    5   14   14                                                 
CONECT    6   12   50   51                                            
CONECT    7   23   23    8   52                                       
CONECT    8    1    1    7   14                                       
CONECT    9   10   10   24   53                                       
CONECT   10    4    9    9   12                                       
CONECT   11   32   18   54   55                                       
CONECT   12    2    2    6   10                                       
CONECT   13   32   16   16   30                                       
CONECT   13   45   45                                                 
CONECT   14    3    5    5    8                                       
CONECT   15   44   44   31   36                                       
CONECT   15   17   17                                                 
CONECT   16   13   13                                                 
CONECT   17   15   15                                                 
CONECT   18   11   20   19   19                                       
CONECT   19   18   18   33   56                                       
CONECT   20   18   34   34   57                                       
CONECT   21    1   30   30   58                                       
CONECT   22    4    4   31   59                                       
CONECT   23    7    7   30   60                                       
CONECT   24    9   31   31   61                                       
CONECT   25   26   27   62   63                                       
CONECT   26   25   29   64                                            
CONECT   27   25   28   32   65                                       
CONECT   28   27   36   29   66                                       
CONECT   29   26   28   67   68                                       
CONECT   30   13   21   21   23                                       
CONECT   31   15   22   24   24                                       
CONECT   32   11   13   27                                            
CONECT   33   19   35   35   69                                       
CONECT   34   20   20   35   70                                       
CONECT   35   33   33   34   71                                       
CONECT   36   15   28   37                                            
CONECT   37   36   38   72   73                                       
CONECT   38   37   42   39   39                                       
CONECT   39   38   38   40   74                                       
CONECT   40   39   41   41   75                                       
CONECT   41   40   40   43   76                                       
CONECT   42   38   43   43   77                                       
CONECT   43   41   42   42   78                                       
CONECT   44   15   15                                                 
CONECT   45   13   13                                                 
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
