COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.016   3.727   0.054  1.00  0.00           O  
HETATM    2  C   UNL     1       4.549   2.660  -0.733  1.00  0.00           C  
HETATM    3  C   UNL     1       5.935   2.221  -0.201  1.00  0.00           C  
HETATM    4  C   UNL     1       5.630   0.997   0.684  1.00  0.00           C  
HETATM    5  O   UNL     1       4.204   0.813   0.681  1.00  0.00           O  
HETATM    6  C   UNL     1       3.709   1.369  -0.556  1.00  0.00           C  
HETATM    7  C   UNL     1       2.221   1.706  -0.438  1.00  0.00           C  
HETATM    8  S   UNL     1       1.270   0.176  -0.232  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.440   0.771  -0.112  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.383  -0.419   0.068  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.768   0.063   0.165  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.704  -1.055   0.338  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.132  -0.515   0.435  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.426   0.317  -0.743  1.00  0.00           N  
HETATM   15  C   UNL     1      -6.681   1.050  -0.546  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.788   0.105  -0.158  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.100   0.536  -0.288  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.146  -0.296   0.059  1.00  0.00           C  
HETATM   19  N   UNL     1     -11.543   0.171  -0.083  1.00  0.00           N1+
HETATM   20  O   UNL     1     -11.772   1.291  -0.506  1.00  0.00           O  
HETATM   21  O   UNL     1     -12.465  -0.563   0.224  1.00  0.00           O1-
HETATM   22  C   UNL     1      -9.886  -1.565   0.539  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.580  -1.997   0.667  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.529  -1.163   0.318  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.122  -1.680   0.466  1.00  0.00           C  
HETATM   26  N   UNL     1       6.286  -0.192   0.134  1.00  0.00           N  
HETATM   27  C   UNL     1       7.582  -0.583   0.363  1.00  0.00           C  
HETATM   28  C   UNL     1       7.763  -1.770  -0.366  1.00  0.00           C  
HETATM   29  N   UNL     1       6.591  -2.037  -0.991  1.00  0.00           N  
HETATM   30  C   UNL     1       5.721  -1.115  -0.694  1.00  0.00           C  
HETATM   31  C   UNL     1       9.019  -2.397  -0.311  1.00  0.00           C  
HETATM   32  N   UNL     1       9.257  -3.568  -1.009  1.00  0.00           N  
HETATM   33  N   UNL     1       9.974  -1.839   0.426  1.00  0.00           N  
HETATM   34  C   UNL     1       9.756  -0.721   1.095  1.00  0.00           C  
HETATM   35  N   UNL     1       8.596  -0.099   1.073  1.00  0.00           N  
HETATM   36  O   UNL     1       6.527   3.264   0.575  1.00  0.00           O  
HETATM   37  H   UNL     1       4.556   4.529   0.047  1.00  0.00           H  
HETATM   38  H   UNL     1       4.608   2.945  -1.783  1.00  0.00           H  
HETATM   39  H   UNL     1       6.589   1.941  -1.027  1.00  0.00           H  
HETATM   40  H   UNL     1       5.978   1.179   1.701  1.00  0.00           H  
HETATM   41  H   UNL     1       3.884   0.681  -1.383  1.00  0.00           H  
HETATM   42  H   UNL     1       2.062   2.352   0.426  1.00  0.00           H  
HETATM   43  H   UNL     1       1.893   2.220  -1.341  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.532   1.441   0.743  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.702   1.309  -1.024  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.291  -1.088  -0.788  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.121  -0.956   0.979  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.865   0.735   0.911  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.628  -1.729  -0.516  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.458  -1.597   1.252  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.237   0.083   1.341  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.665   0.950  -0.938  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.546   1.789   0.244  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.950   1.559  -1.471  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.305   1.528  -0.662  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.701  -2.218   0.813  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.377  -2.989   1.043  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.899  -2.365  -0.352  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.028  -2.209   1.414  1.00  0.00           H  
HETATM   60  H   UNL     1       4.703  -1.085  -1.053  1.00  0.00           H  
HETATM   61  H   UNL     1       8.552  -3.966  -1.544  1.00  0.00           H  
HETATM   62  H   UNL     1      10.128  -3.992  -0.963  1.00  0.00           H  
HETATM   63  H   UNL     1      10.560  -0.302   1.682  1.00  0.00           H  
HETATM   64  H   UNL     1       6.687   4.080   0.081  1.00  0.00           H  
CONECT    1    2   37                                                 
CONECT    2    1    3    6   38                                       
CONECT    3    2    4   36   39                                       
CONECT    4    3    5   26   40                                       
CONECT    5    4    6                                                 
CONECT    6    2    5    7   41                                       
CONECT    7    6    8   42   43                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   44   45                                       
CONECT   10    9   11   46   47                                       
CONECT   11   10   12   48                                            
CONECT   12   11   13   49   50                                       
CONECT   13   12   14   25   51                                       
CONECT   14   13   15   52                                            
CONECT   15   14   16   53   54                                       
CONECT   16   15   17   17   24                                       
CONECT   17   16   16   18   55                                       
CONECT   18   17   19   22   22                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19                                                      
CONECT   22   18   18   23   56                                       
CONECT   23   22   24   24   57                                       
CONECT   24   16   23   23   25                                       
CONECT   25   13   24   58   59                                       
CONECT   26    4   27   30                                            
CONECT   27   26   28   28   35                                       
CONECT   28   27   27   29   31                                       
CONECT   29   28   30   30                                            
CONECT   30   26   29   29   60                                       
CONECT   31   28   32   33   33                                       
CONECT   32   31   61   62                                            
CONECT   33   31   31   34                                            
CONECT   34   33   35   35   63                                       
CONECT   35   27   34   34                                            
CONECT   36    3   64                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   34                                                      
CONECT   64   36                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
