COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.109   0.760  -0.117  1.00  0.00           C  
HETATM    2  C   UNL     1       1.599   0.759  -0.362  1.00  0.00           C  
HETATM    3  C   UNL     1       1.024   2.131  -0.005  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.387   2.131  -0.234  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.056   3.282   0.036  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.175   2.154  -0.689  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.333  -3.110  -0.784  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.104   4.526   0.105  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.418   5.627   0.584  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.051   5.560   0.783  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.369   4.391   0.510  1.00  0.00           C  
HETATM   12  C   UNL     1       4.162  -2.929   1.992  1.00  0.00           C  
HETATM   13  C   UNL     1       4.588  -1.461   2.066  1.00  0.00           C  
HETATM   14  C   UNL     1       5.505  -1.145   0.912  1.00  0.00           C  
HETATM   15  N   UNL     1       6.815  -1.304   1.033  1.00  0.00           N  
HETATM   16  C   UNL     1       7.631  -1.030   0.027  1.00  0.00           C  
HETATM   17  N   UNL     1       8.995  -1.210   0.196  1.00  0.00           N  
HETATM   18  N   UNL     1       7.178  -0.589  -1.137  1.00  0.00           N  
HETATM   19  C   UNL     1       5.877  -0.405  -1.332  1.00  0.00           C  
HETATM   20  N   UNL     1       5.406   0.057  -2.552  1.00  0.00           N  
HETATM   21  C   UNL     1       4.987  -0.691  -0.289  1.00  0.00           C  
HETATM   22  O   UNL     1       3.646  -0.522  -0.451  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.426   3.354  -0.169  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.545   1.238   0.479  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.293   0.038  -0.041  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.509  -0.074  -1.230  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.722  -0.912   0.813  1.00  0.00           N  
HETATM   28  S   UNL     1      -5.545  -2.231   0.242  1.00  0.00           S  
HETATM   29  O   UNL     1      -6.574  -1.678  -0.566  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.852  -2.984   1.407  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.134  -3.513   0.077  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.981  -4.363  -1.376  1.00  0.00           C  
HETATM   33  H   UNL     1       3.578   1.523  -0.739  1.00  0.00           H  
HETATM   34  H   UNL     1       3.307   0.975   0.933  1.00  0.00           H  
HETATM   35  H   UNL     1       1.401   0.544  -1.412  1.00  0.00           H  
HETATM   36  H   UNL     1       1.130  -0.004   0.259  1.00  0.00           H  
HETATM   37  H   UNL     1       1.222   2.346   1.045  1.00  0.00           H  
HETATM   38  H   UNL     1       1.492   2.894  -0.627  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.083   2.483  -1.194  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.545   1.610  -1.393  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.999  -2.458  -1.590  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.171   4.582  -0.054  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.950   6.542   0.798  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.518   6.422   1.156  1.00  0.00           H  
HETATM   45  H   UNL     1       0.698   4.339   0.667  1.00  0.00           H  
HETATM   46  H   UNL     1       3.639  -3.108   1.053  1.00  0.00           H  
HETATM   47  H   UNL     1       5.045  -3.566   2.043  1.00  0.00           H  
HETATM   48  H   UNL     1       3.499  -3.157   2.826  1.00  0.00           H  
HETATM   49  H   UNL     1       3.706  -0.823   2.014  1.00  0.00           H  
HETATM   50  H   UNL     1       5.112  -1.282   3.005  1.00  0.00           H  
HETATM   51  H   UNL     1       9.340  -1.533   1.043  1.00  0.00           H  
HETATM   52  H   UNL     1       9.604  -1.013  -0.533  1.00  0.00           H  
HETATM   53  H   UNL     1       6.028   0.249  -3.271  1.00  0.00           H  
HETATM   54  H   UNL     1       4.454   0.189  -2.687  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.637   0.908   0.984  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.175   1.782   1.182  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.549  -0.823   1.764  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.407  -4.042  -0.539  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.673  -2.621   0.499  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.469  -4.166   0.883  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.835  -4.075  -1.989  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.253  -4.891  -1.992  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.316  -5.015  -0.569  1.00  0.00           H  
CONECT    1   22    2   33   34                                       
CONECT    2    1    3   35   36                                       
CONECT    3    2    4   37   38                                       
CONECT    4    3    5                                                 
CONECT    5    4   23   23   11                                       
CONECT    6   24   23   39   40                                       
CONECT    7   28   31   32   41                                       
CONECT    8   23    9    9   42                                       
CONECT    9    8    8   10   43                                       
CONECT   10    9   11   11   44                                       
CONECT   11   10   10    5   45                                       
CONECT   12   13   46   47   48                                       
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   15   21                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   18   18                                       
CONECT   17   16   51   52                                            
CONECT   18   16   16   19                                            
CONECT   19   18   20   21   21                                       
CONECT   20   19   53   54                                            
CONECT   21   19   19   22   14                                       
CONECT   22   21    1                                                 
CONECT   23    5    5    6    8                                       
CONECT   24    6   25   55   56                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   57                                            
CONECT   28   27   29   29   30                                       
CONECT   28   30    7                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31    7   58   59   60                                       
CONECT   32    7   61   62   63                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   27                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
