COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.137  -0.711  -0.666  1.00  0.00           C  
HETATM    2  C   UNL     1       2.353  -0.954   0.653  1.00  0.00           C  
HETATM    3  C   UNL     1       4.058  -2.455  -0.301  1.00  0.00           C  
HETATM    4  C   UNL     1       3.324  -0.361  -0.073  1.00  0.00           C  
HETATM    5  C   UNL     1       4.970  -3.558  -0.774  1.00  0.00           C  
HETATM    6  C   UNL     1       3.384   1.100  -0.298  1.00  0.00           C  
HETATM    7  C   UNL     1       3.038   3.554  -0.689  1.00  0.00           C  
HETATM    8  C   UNL     1       4.316   3.178  -0.599  1.00  0.00           C  
HETATM    9  C   UNL     1       4.514   1.828  -0.385  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.900   0.142  -0.551  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.696  -0.633  -1.091  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.446   0.249  -1.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.423   1.394   1.027  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.662   0.499   0.918  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.134   0.526   1.043  1.00  0.00           C  
HETATM   16  C   UNL     1       0.018  -0.171   0.366  1.00  0.00           C  
HETATM   17  C   UNL     1       1.201  -0.257   1.331  1.00  0.00           C  
HETATM   18  N   UNL     1      -7.327  -0.230  -0.254  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.291   0.716   0.380  1.00  0.00           N  
HETATM   20  N   UNL     1       4.220  -1.205  -0.568  1.00  0.00           N  
HETATM   21  O   UNL     1      -6.064  -1.827  -1.133  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.019   0.915   2.186  1.00  0.00           O  
HETATM   23  S   UNL     1       2.666  -2.688   0.662  1.00  0.00           S  
HETATM   24  S   UNL     1       1.991   2.154  -0.501  1.00  0.00           S  
HETATM   25  H   UNL     1       4.620  -3.931  -1.737  1.00  0.00           H  
HETATM   26  H   UNL     1       5.983  -3.172  -0.881  1.00  0.00           H  
HETATM   27  H   UNL     1       4.965  -4.370  -0.047  1.00  0.00           H  
HETATM   28  H   UNL     1       2.699   4.566  -0.855  1.00  0.00           H  
HETATM   29  H   UNL     1       5.134   3.877  -0.686  1.00  0.00           H  
HETATM   30  H   UNL     1       5.498   1.390  -0.294  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.033   1.056  -1.130  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.546  -1.534  -0.497  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.876  -0.907  -2.131  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.569  -0.330  -1.295  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.556   1.105  -1.671  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.614   2.344   0.528  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.190   1.572   2.077  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.530   1.030   1.309  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.503  -0.413   1.493  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.287  -1.176   0.074  1.00  0.00           H  
HETATM   41  H   UNL     1       0.312   0.391  -0.521  1.00  0.00           H  
HETATM   42  H   UNL     1       0.907  -0.819   2.217  1.00  0.00           H  
HETATM   43  H   UNL     1       1.506   0.748   1.623  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.125  -0.777  -0.331  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.386   0.663   0.120  1.00  0.00           H  
CONECT    1   18   21   21   10                                       
CONECT    2    4    4   17   23                                       
CONECT    3   20   20   23    5                                       
CONECT    4    6   20    2    2                                       
CONECT    5    3   25   26   27                                       
CONECT    6    9    9   24    4                                       
CONECT    7    8    8   24   28                                       
CONECT    8    7    7    9   29                                       
CONECT    9    8    6    6   30                                       
CONECT   10    1   14   11   31                                       
CONECT   11   10   12   32   33                                       
CONECT   12   11   19   34   35                                       
CONECT   13   14   19   36   37                                       
CONECT   14   10   13   38   39                                       
CONECT   15   19   16   22   22                                       
CONECT   16   15   17   40   41                                       
CONECT   17   16    2   42   43                                       
CONECT   18    1   44   45                                            
CONECT   19   13   12   15                                            
CONECT   20    4    3    3                                            
CONECT   21    1    1                                                 
CONECT   22   15   15                                                 
CONECT   23    2    3                                                 
CONECT   24    7    6                                                 
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
