COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.640   1.236  -1.174  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.447  -1.184   0.163  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.797  -0.732  -0.487  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.640  -1.467   0.854  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.559  -0.902  -1.628  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.282   1.145  -0.001  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.437   1.324   1.361  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.094   3.678   1.092  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.033   2.233  -0.817  1.00  0.00           C  
HETATM   10  C   UNL     1       2.299  -1.060   0.338  1.00  0.00           C  
HETATM   11  C   UNL     1       4.771  -0.705   0.254  1.00  0.00           C  
HETATM   12  C   UNL     1       6.158  -0.586   0.265  1.00  0.00           C  
HETATM   13  C   UNL     1       6.772   0.429  -0.434  1.00  0.00           C  
HETATM   14  C   UNL     1       6.009   1.337  -1.152  1.00  0.00           C  
HETATM   15  C   UNL     1       3.989   0.204  -0.466  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.017  -0.758  -0.047  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.378  -0.236  -0.595  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.339  -1.012   0.754  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.401  -1.642  -0.287  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.861  -1.357  -1.528  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.343   2.590   1.907  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.939   3.499  -0.270  1.00  0.00           C  
HETATM   23  N   UNL     1       2.669  -0.052  -0.373  1.00  0.00           N  
HETATM   24  N   UNL     1       0.984  -1.451   0.531  1.00  0.00           N  
HETATM   25  O   UNL     1       0.233   0.208  -0.735  1.00  0.00           O  
HETATM   26  S   UNL     1       3.699  -1.869   1.028  1.00  0.00           S  
HETATM   27  H   UNL     1       4.058   1.953  -1.734  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.582  -2.200  -0.207  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.684  -1.151   1.227  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.063  -1.686   1.823  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.138  -0.679  -2.597  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.632   0.474   1.999  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.020   4.667   1.518  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.912   2.093  -1.880  1.00  0.00           H  
HETATM   35  H   UNL     1       6.754  -1.293   0.824  1.00  0.00           H  
HETATM   36  H   UNL     1       7.849   0.518  -0.423  1.00  0.00           H  
HETATM   37  H   UNL     1       6.495   2.132  -1.698  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.085  -0.201  -1.645  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.745  -0.875   1.646  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.418  -1.997  -0.210  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.455  -1.493  -2.419  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.465   2.730   2.971  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.745   4.349  -0.908  1.00  0.00           H  
HETATM   44  H   UNL     1       0.784  -2.224   1.082  1.00  0.00           H  
CONECT    1   15   15   14   27                                       
CONECT    2   17   16   28   29                                       
CONECT    3   18   17    5    5                                       
CONECT    4   18   18   19   30                                       
CONECT    5    3    3   20   31                                       
CONECT    6   17    7    7    9                                       
CONECT    7    6    6   21   32                                       
CONECT    8   21   21   22   33                                       
CONECT    9    6   22   22   34                                       
CONECT   10   23   23   24   26                                       
CONECT   11   15   26   12   12                                       
CONECT   12   11   11   13   35                                       
CONECT   13   14   14   12   36                                       
CONECT   14    1   13   13   37                                       
CONECT   15   23    1    1   11                                       
CONECT   16   25   25    2   24                                       
CONECT   17    3    2    6   38                                       
CONECT   18    4    4    3   39                                       
CONECT   19    4   20   20   40                                       
CONECT   20   19   19    5   41                                       
CONECT   21    7    8    8   42                                       
CONECT   22    9    9    8   43                                       
CONECT   23   10   10   15                                            
CONECT   24   16   10   44                                            
CONECT   25   16   16                                                 
CONECT   26   10   11                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
