COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.855  -0.600   1.452  1.00  0.00           C  
HETATM    2  C   UNL     1       4.441  -1.840   0.773  1.00  0.00           C  
HETATM    3  N   UNL     1       5.574  -1.447  -0.074  1.00  0.00           N  
HETATM    4  C   UNL     1       6.248  -2.626  -0.633  1.00  0.00           C  
HETATM    5  C   UNL     1       7.420  -2.177  -1.507  1.00  0.00           C  
HETATM    6  C   UNL     1       6.769  -3.503   0.507  1.00  0.00           C  
HETATM    7  C   UNL     1       5.147  -0.530  -1.139  1.00  0.00           C  
HETATM    8  C   UNL     1       4.582   0.749  -0.517  1.00  0.00           C  
HETATM    9  C   UNL     1       3.394   0.392   0.381  1.00  0.00           C  
HETATM   10  N   UNL     1       2.886   1.606   1.025  1.00  0.00           N  
HETATM   11  S   UNL     1       1.614   2.428   0.354  1.00  0.00           S  
HETATM   12  O   UNL     1       1.420   3.539   1.219  1.00  0.00           O  
HETATM   13  O   UNL     1       1.992   2.613  -1.003  1.00  0.00           O  
HETATM   14  C   UNL     1       0.217   1.276   0.474  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.033   1.928  -0.120  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.161   0.998  -0.023  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.374   1.359  -0.486  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.532   2.458  -0.985  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.502   0.429  -0.390  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.774   0.679  -0.822  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.636  -0.369  -0.608  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.091  -1.443  -0.021  1.00  0.00           C  
HETATM   23 CL   UNL     1      -6.953  -2.900   0.363  1.00  0.00          Cl  
HETATM   24  S   UNL     1      -4.433  -1.189   0.294  1.00  0.00           S  
HETATM   25  H   UNL     1       3.004  -0.891   2.069  1.00  0.00           H  
HETATM   26  H   UNL     1       4.616  -0.134   2.078  1.00  0.00           H  
HETATM   27  H   UNL     1       4.782  -2.543   1.533  1.00  0.00           H  
HETATM   28  H   UNL     1       3.675  -2.314   0.159  1.00  0.00           H  
HETATM   29  H   UNL     1       2.606  -0.060  -0.220  1.00  0.00           H  
HETATM   30  H   UNL     1       5.542  -3.196  -1.236  1.00  0.00           H  
HETATM   31  H   UNL     1       6.002  -0.282  -1.768  1.00  0.00           H  
HETATM   32  H   UNL     1       4.378  -1.010  -1.745  1.00  0.00           H  
HETATM   33  H   UNL     1       8.126  -1.607  -0.904  1.00  0.00           H  
HETATM   34  H   UNL     1       7.920  -3.052  -1.922  1.00  0.00           H  
HETATM   35  H   UNL     1       7.049  -1.552  -2.319  1.00  0.00           H  
HETATM   36  H   UNL     1       7.475  -2.933   1.111  1.00  0.00           H  
HETATM   37  H   UNL     1       5.934  -3.824   1.130  1.00  0.00           H  
HETATM   38  H   UNL     1       7.269  -4.379   0.093  1.00  0.00           H  
HETATM   39  H   UNL     1       5.354   1.237   0.077  1.00  0.00           H  
HETATM   40  H   UNL     1       4.251   1.422  -1.308  1.00  0.00           H  
HETATM   41  H   UNL     1       3.294   1.929   1.843  1.00  0.00           H  
HETATM   42  H   UNL     1       0.449   0.365  -0.078  1.00  0.00           H  
HETATM   43  H   UNL     1       0.037   1.031   1.521  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.265   2.839   0.432  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.853   2.173  -1.167  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.035   0.122   0.374  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.072   1.608  -1.285  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.678  -0.331  -0.892  1.00  0.00           H  
CONECT    1    2    9   25   26                                       
CONECT    2    1    3   27   28                                       
CONECT    3    2    4    7                                            
CONECT    4    3    5    6   30                                       
CONECT    5    4   33   34   35                                       
CONECT    6    4   36   37   38                                       
CONECT    7    3    8   31   32                                       
CONECT    8    7    9   39   40                                       
CONECT    9    1    8   10   29                                       
CONECT   10    9   11   41                                            
CONECT   11   10   12   12   13                                       
CONECT   11   13   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   42   43                                       
CONECT   15   14   16   44   45                                       
CONECT   16   15   17   46                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   20   24                                       
CONECT   20   19   19   21   47                                       
CONECT   21   20   22   22   48                                       
CONECT   22   21   21   23   24                                       
CONECT   23   22                                                      
CONECT   24   19   22                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    9                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
