COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.837  -1.314  -1.391  1.00  0.00           C  
HETATM    2  C   UNL     1       5.910   0.308  -0.826  1.00  0.00           C  
HETATM    3  C   UNL     1       3.620  -0.375   0.061  1.00  0.00           C  
HETATM    4  C   UNL     1       3.918  -0.299   1.536  1.00  0.00           C  
HETATM    5  C   UNL     1       2.921   0.454   2.420  1.00  0.00           C  
HETATM    6  C   UNL     1       4.288   1.069   2.112  1.00  0.00           C  
HETATM    7  C   UNL     1       0.039  -0.725  -0.313  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.921   1.958   0.089  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.608   2.485  -0.988  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.299   3.750  -1.454  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.303   4.487  -0.840  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.483  -2.647  -1.114  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.617   3.961   0.238  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.925   2.696   0.702  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.113  -1.079   0.375  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.019  -1.784   1.569  1.00  0.00           C  
HETATM   17  C   UNL     1       0.220  -2.131   2.072  1.00  0.00           C  
HETATM   18  C   UNL     1       1.369  -1.779   1.389  1.00  0.00           C  
HETATM   19  C   UNL     1       1.281  -1.074   0.196  1.00  0.00           C  
HETATM   20  C   UNL     1       3.804  -0.304  -2.180  1.00  0.00           C  
HETATM   21  C   UNL     1       4.503  -0.107  -0.967  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.366  -0.729  -0.133  1.00  0.00           N  
HETATM   23  N   UNL     1       2.447  -0.723  -0.498  1.00  0.00           N  
HETATM   24  N   UNL     1       2.588  -0.675  -1.890  1.00  0.00           N  
HETATM   25  O   UNL     1      -2.897   0.308   2.043  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.991  -3.369  -2.125  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.544  -3.065   0.018  1.00  0.00           O  
HETATM   28  O   UNL     1       6.629   0.633  -1.918  1.00  0.00           O  
HETATM   29  O   UNL     1       6.421   0.356   0.276  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.657   0.091   0.282  1.00  0.00           O  
HETATM   31  S   UNL     1      -3.320   0.349   0.687  1.00  0.00           S  
HETATM   32  H   UNL     1      -1.992  -1.452  -2.066  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.565  -0.646  -1.852  1.00  0.00           H  
HETATM   34  H   UNL     1       4.408  -1.174   1.962  1.00  0.00           H  
HETATM   35  H   UNL     1       2.051   0.894   1.934  1.00  0.00           H  
HETATM   36  H   UNL     1       2.756   0.074   3.428  1.00  0.00           H  
HETATM   37  H   UNL     1       5.022   1.094   2.918  1.00  0.00           H  
HETATM   38  H   UNL     1       4.317   1.914   1.424  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.032  -0.181  -1.243  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.385   1.909  -1.467  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.835   4.161  -2.296  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.061   5.475  -1.204  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.839   4.537   0.716  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.389   2.284   1.544  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.915  -2.061   2.104  1.00  0.00           H  
HETATM   46  H   UNL     1       0.291  -2.678   3.000  1.00  0.00           H  
HETATM   47  H   UNL     1       2.336  -2.051   1.785  1.00  0.00           H  
HETATM   48  H   UNL     1       4.209  -0.177  -3.173  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.395  -4.218  -1.898  1.00  0.00           H  
HETATM   50  H   UNL     1       7.548   0.899  -1.775  1.00  0.00           H  
CONECT    1   22   12   32   33                                       
CONECT    2   21   28   29   29                                       
CONECT    3   23    4   21   21                                       
CONECT    4    5    3    6   34                                       
CONECT    5    4    6   35   36                                       
CONECT    6    5    4   37   38                                       
CONECT    7   15   15   19   39                                       
CONECT    8   31    9    9   14                                       
CONECT    9    8    8   10   40                                       
CONECT   10    9   11   11   41                                       
CONECT   11   10   10   13   42                                       
CONECT   12   27   27    1   26                                       
CONECT   13   14   14   11   43                                       
CONECT   14    8   13   13   44                                       
CONECT   15   16   22    7    7                                       
CONECT   16   17   17   15   45                                       
CONECT   17   16   16   18   46                                       
CONECT   18   17   19   19   47                                       
CONECT   19   18   18    7   23                                       
CONECT   20   24   24   21   48                                       
CONECT   21    3    3   20    2                                       
CONECT   22   31   15    1                                            
CONECT   23   19   24    3                                            
CONECT   24   23   20   20                                            
CONECT   25   31   31                                                 
CONECT   26   12   49                                                 
CONECT   27   12   12                                                 
CONECT   28    2   50                                                 
CONECT   29    2    2                                                 
CONECT   30   31   31                                                 
CONECT   31   25   25   30   30                                       
CONECT   31   22    8                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
