COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.111   1.451  -0.016  1.00  0.00           C  
HETATM    2  C   UNL     1       2.420   0.101   0.073  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.841  -2.931  -0.059  1.00  0.00           C  
HETATM    4  C   UNL     1       6.220   0.044   0.134  1.00  0.00           C  
HETATM    5  C   UNL     1       2.105  -1.260   0.050  1.00  0.00           C  
HETATM    6  C   UNL     1       7.130  -1.186   0.133  1.00  0.00           C  
HETATM    7  C   UNL     1       9.430  -1.896   0.399  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.020   1.631   0.025  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.008   2.585   0.012  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.422   0.218  -0.017  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.879   3.002   0.036  1.00  0.00           C  
HETATM   12  C   UNL     1       0.070   0.632   0.030  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.184  -1.047  -0.032  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.417   2.619  -0.002  1.00  0.00           C  
HETATM   15  C   UNL     1       3.833   0.534   0.102  1.00  0.00           C  
HETATM   16  C   UNL     1       1.399   1.049   0.063  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.643  -2.282  -0.043  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.560  -3.312  -0.054  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.231  -0.732   0.018  1.00  0.00           C  
HETATM   20  C   UNL     1       0.786  -1.666   0.022  1.00  0.00           C  
HETATM   21  C   UNL     1       8.895  -0.052  -1.077  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.366   1.373   0.010  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.105   0.186  -0.004  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.092   3.546   0.028  1.00  0.00           N  
HETATM   25  N   UNL     1       4.820  -0.385   0.106  1.00  0.00           N  
HETATM   26  N   UNL     1       8.535  -0.755   0.162  1.00  0.00           N  
HETATM   27  O   UNL     1       4.106   1.718   0.122  1.00  0.00           O  
HETATM   28  S   UNL     1      -6.938  -1.175  -0.049  1.00  0.00           S  
HETATM   29  H   UNL     1      -6.190   1.465  -0.031  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.689  -3.600  -0.071  1.00  0.00           H  
HETATM   31  H   UNL     1       6.402   0.630   1.035  1.00  0.00           H  
HETATM   32  H   UNL     1       6.431   0.654  -0.744  1.00  0.00           H  
HETATM   33  H   UNL     1       2.895  -1.996   0.053  1.00  0.00           H  
HETATM   34  H   UNL     1       6.919  -1.795   1.011  1.00  0.00           H  
HETATM   35  H   UNL     1       6.948  -1.771  -0.768  1.00  0.00           H  
HETATM   36  H   UNL     1       9.305  -2.628  -0.398  1.00  0.00           H  
HETATM   37  H   UNL     1      10.463  -1.549   0.416  1.00  0.00           H  
HETATM   38  H   UNL     1       9.186  -2.356   1.357  1.00  0.00           H  
HETATM   39  H   UNL     1       0.056   3.542   0.050  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.939   3.564  -0.001  1.00  0.00           H  
HETATM   41  H   UNL     1       1.637   2.102   0.082  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.577  -2.451  -0.036  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.264  -4.351  -0.058  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.261  -1.056   0.005  1.00  0.00           H  
HETATM   45  H   UNL     1       0.548  -2.719   0.004  1.00  0.00           H  
HETATM   46  H   UNL     1       8.262   0.828  -1.192  1.00  0.00           H  
HETATM   47  H   UNL     1       9.940   0.255  -1.029  1.00  0.00           H  
HETATM   48  H   UNL     1       8.751  -0.718  -1.928  1.00  0.00           H  
HETATM   49  H   UNL     1       4.602  -1.330   0.090  1.00  0.00           H  
CONECT    1   10   14   14   29                                       
CONECT    2   15   16   16    5                                       
CONECT    3   18   18   28   30                                       
CONECT    4    6   25   31   32                                       
CONECT    5    2   20   20   33                                       
CONECT    6   26    4   34   35                                       
CONECT    7   26   36   37   38                                       
CONECT    8   22   12   11   11                                       
CONECT    9   14   22   24   24                                       
CONECT   10   13    1   23   23                                       
CONECT   11   24    8    8   39                                       
CONECT   12   16    8   19   19                                       
CONECT   13   17   17   28   10                                       
CONECT   14    1    1    9   40                                       
CONECT   15   25   27   27    2                                       
CONECT   16    2    2   12   41                                       
CONECT   17   18   13   13   42                                       
CONECT   18    3    3   17   43                                       
CONECT   19   12   12   20   44                                       
CONECT   20    5    5   19   45                                       
CONECT   21   26   46   47   48                                       
CONECT   22   23    9    8                                            
CONECT   23   10   10   22                                            
CONECT   24    9    9   11                                            
CONECT   25    4   15   49                                            
CONECT   26    6    7   21                                            
CONECT   27   15   15                                                 
CONECT   28    3   13                                                 
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   11                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
