COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.538   1.362   1.038  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.787   0.890   1.200  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.162  -0.782   0.151  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.867   1.515   2.046  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.442   0.701  -0.229  1.00  0.00           C  
HETATM    6  C   UNL     1       0.634   1.854  -0.078  1.00  0.00           C  
HETATM    7  C   UNL     1       1.256   3.101  -0.081  1.00  0.00           C  
HETATM    8  C   UNL     1       1.243   5.464   0.184  1.00  0.00           C  
HETATM    9  C   UNL     1       2.606   3.197  -0.376  1.00  0.00           C  
HETATM   10  C   UNL     1       3.333   2.058  -0.667  1.00  0.00           C  
HETATM   11  C   UNL     1       2.717   0.820  -0.665  1.00  0.00           C  
HETATM   12  C   UNL     1       3.497  -2.167   1.196  1.00  0.00           C  
HETATM   13  C   UNL     1       4.387  -3.381   1.479  1.00  0.00           C  
HETATM   14  C   UNL     1       5.691  -2.912   2.129  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.907  -0.260   0.460  1.00  0.00           C  
HETATM   16  C   UNL     1       6.435  -1.981   1.169  1.00  0.00           C  
HETATM   17  C   UNL     1       5.569  -0.751   0.882  1.00  0.00           C  
HETATM   18  C   UNL     1       1.370   0.715  -0.371  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.028  -1.185   0.305  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.719  -2.660   0.343  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.378  -3.154  -1.057  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.678  -2.030  -1.838  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.374  -1.605  -1.157  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.664  -0.478  -0.199  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.839   0.527   0.188  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.729   1.750   0.226  1.00  0.00           N  
HETATM   27  N   UNL     1       4.258  -1.200   0.393  1.00  0.00           N  
HETATM   28  O   UNL     1      -0.929  -0.102  -0.985  1.00  0.00           O  
HETATM   29  O   UNL     1       0.539   4.221   0.205  1.00  0.00           O  
HETATM   30  O   UNL     1       2.719  -1.598  -1.495  1.00  0.00           O  
HETATM   31  O   UNL     1       4.766  -0.198  -1.805  1.00  0.00           O  
HETATM   32  S   UNL     1       3.650  -0.627  -1.037  1.00  0.00           S  
HETATM   33  H   UNL     1      -3.185   2.165   1.451  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.440   2.218   1.442  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.529   0.735   2.423  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.412   2.042   2.884  1.00  0.00           H  
HETATM   37  H   UNL     1       0.556   6.275   0.429  1.00  0.00           H  
HETATM   38  H   UNL     1       2.050   5.438   0.916  1.00  0.00           H  
HETATM   39  H   UNL     1       1.659   5.629  -0.810  1.00  0.00           H  
HETATM   40  H   UNL     1       3.091   4.162  -0.380  1.00  0.00           H  
HETATM   41  H   UNL     1       4.385   2.135  -0.898  1.00  0.00           H  
HETATM   42  H   UNL     1       2.612  -2.484   0.644  1.00  0.00           H  
HETATM   43  H   UNL     1       3.196  -1.705   2.136  1.00  0.00           H  
HETATM   44  H   UNL     1       3.869  -4.063   2.154  1.00  0.00           H  
HETATM   45  H   UNL     1       4.611  -3.894   0.544  1.00  0.00           H  
HETATM   46  H   UNL     1       5.465  -2.378   3.051  1.00  0.00           H  
HETATM   47  H   UNL     1       6.316  -3.777   2.354  1.00  0.00           H  
HETATM   48  H   UNL     1       7.375  -1.666   1.623  1.00  0.00           H  
HETATM   49  H   UNL     1       6.640  -2.508   0.237  1.00  0.00           H  
HETATM   50  H   UNL     1       5.439  -0.174   1.798  1.00  0.00           H  
HETATM   51  H   UNL     1       6.051  -0.132   0.126  1.00  0.00           H  
HETATM   52  H   UNL     1       0.892  -0.252  -0.369  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.872  -2.835   1.005  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.588  -3.202   0.716  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.714  -4.016  -0.986  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.293  -3.442  -1.574  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.457  -2.380  -2.846  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.344  -1.169  -1.897  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.957  -2.450  -0.610  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.661  -1.271  -1.911  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.160   2.433   0.763  1.00  0.00           H  
CONECT    1    2   25   33                                            
CONECT    2    4    1   15   15                                       
CONECT    3   19   19                                                 
CONECT    4    2   34   35   36                                       
CONECT    5   28   28   25   26                                       
CONECT    6   18   26    7    7                                       
CONECT    7    6    6   29    9                                       
CONECT    8   29   37   38   39                                       
CONECT    9   10   10    7   40                                       
CONECT   10   11    9    9   41                                       
CONECT   11   32   18   18   10                                       
CONECT   12   13   27   42   43                                       
CONECT   13   14   12   44   45                                       
CONECT   14   13   16   46   47                                       
CONECT   15    2    2   19   24                                       
CONECT   16   14   17   48   49                                       
CONECT   17   16   27   50   51                                       
CONECT   18   11   11    6   52                                       
CONECT   19    3    3   15   20                                       
CONECT   20   19   21   53   54                                       
CONECT   21   20   22   55   56                                       
CONECT   22   23   21   57   58                                       
CONECT   23   24   22   59   60                                       
CONECT   24   15   25   25   23                                       
CONECT   25    1    5   24   24                                       
CONECT   26    5    6   61                                            
CONECT   27   12   17   32                                            
CONECT   28    5    5                                                 
CONECT   29    7    8                                                 
CONECT   30   32   32                                                 
CONECT   31   32   32                                                 
CONECT   32   27   30   30   11                                       
CONECT   32   31   31                                                 
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   26                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
