COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.170  -1.594   0.260  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.229  -0.567   0.036  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.928  -0.487   0.271  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.483   0.715  -0.126  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.077   0.343   0.414  1.00  0.00           C  
HETATM    6  C   UNL     1       1.224   0.797   0.498  1.00  0.00           C  
HETATM    7  C   UNL     1       2.952   2.587   0.235  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.946   0.800  -0.873  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.739  -2.898   0.879  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.470  -1.393  -0.083  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.537   1.417  -0.629  1.00  0.00           C  
HETATM   12  C   UNL     1       1.530   2.098   0.142  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.858  -0.172  -0.660  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.638   0.614  -0.529  1.00  0.00           N  
HETATM   15  C   UNL     1       0.535   2.951  -0.300  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.769   2.509  -0.387  1.00  0.00           C  
HETATM   17  C   UNL     1       4.689   0.368  -0.417  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.082   1.197  -0.034  1.00  0.00           C  
HETATM   19  C   UNL     1       5.945  -0.495  -0.575  1.00  0.00           C  
HETATM   20  C   UNL     1       4.637  -2.408  -1.289  1.00  0.00           C  
HETATM   21  C   UNL     1       3.327  -1.623  -1.160  1.00  0.00           C  
HETATM   22  N   UNL     1       5.725  -1.484  -1.638  1.00  0.00           N  
HETATM   23  N   UNL     1       3.535  -0.520  -0.210  1.00  0.00           N  
HETATM   24  O   UNL     1       3.227   0.433   2.045  1.00  0.00           O  
HETATM   25  O   UNL     1       1.878  -1.538   1.309  1.00  0.00           O  
HETATM   26  S   UNL     1       2.497  -0.284   1.059  1.00  0.00           S  
HETATM   27  H   UNL     1      -0.315  -0.673   0.693  1.00  0.00           H  
HETATM   28  H   UNL     1       3.463   2.401  -0.710  1.00  0.00           H  
HETATM   29  H   UNL     1       2.955   3.657   0.445  1.00  0.00           H  
HETATM   30  H   UNL     1       3.467   2.057   1.037  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.255   1.735  -1.317  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.827  -2.832   1.964  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.375  -3.703   0.511  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.702  -3.102   0.611  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.202  -2.169   0.086  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.508   2.420  -1.030  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.889  -0.012  -0.937  1.00  0.00           H  
HETATM   38  H   UNL     1       0.779   3.966  -0.577  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.545   3.176  -0.732  1.00  0.00           H  
HETATM   40  H   UNL     1       4.803   1.027   0.444  1.00  0.00           H  
HETATM   41  H   UNL     1       4.535   0.965  -1.316  1.00  0.00           H  
HETATM   42  H   UNL     1       6.791   0.140  -0.839  1.00  0.00           H  
HETATM   43  H   UNL     1       6.154  -1.009   0.363  1.00  0.00           H  
HETATM   44  H   UNL     1       4.864  -2.895  -0.341  1.00  0.00           H  
HETATM   45  H   UNL     1       4.534  -3.161  -2.070  1.00  0.00           H  
HETATM   46  H   UNL     1       3.044  -1.221  -2.133  1.00  0.00           H  
HETATM   47  H   UNL     1       2.540  -2.282  -0.794  1.00  0.00           H  
HETATM   48  H   UNL     1       5.545  -1.032  -2.522  1.00  0.00           H  
CONECT    1   10   10    2    9                                       
CONECT    2   14    3    3    1                                       
CONECT    3    4    2    2                                            
CONECT    4   11   11   18    3                                       
CONECT    5   18   18    6   27                                       
CONECT    6   12   12    5   26                                       
CONECT    7   12   28   29   30                                       
CONECT    8   13   13   14   31                                       
CONECT    9    1   32   33   34                                       
CONECT   10   13    1    1   35                                       
CONECT   11   14    4    4   36                                       
CONECT   12   15    7    6    6                                       
CONECT   13    8    8   10   37                                       
CONECT   14    8   11    2                                            
CONECT   15   16   16   12   38                                       
CONECT   16   15   15   18   39                                       
CONECT   17   19   23   40   41                                       
CONECT   18   16    4    5    5                                       
CONECT   19   22   17   42   43                                       
CONECT   20   22   21   44   45                                       
CONECT   21   20   23   46   47                                       
CONECT   22   19   20   48                                            
CONECT   23   17   21   26                                            
CONECT   24   26   26                                                 
CONECT   25   26   26                                                 
CONECT   26   23    6   25   25                                       
CONECT   26   24   24                                                 
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
