COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.973  -0.028   0.173  1.00  0.00           C  
HETATM    2  C   UNL     1       1.596   2.404   0.067  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.568  -0.529  -0.464  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.676   0.485   0.105  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.867   1.899  -0.231  1.00  0.00           C  
HETATM    6  S   UNL     1      -5.454   0.035   1.127  1.00  0.00           S  
HETATM    7  O   UNL     1      -5.734  -1.301   1.522  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.291   1.101   2.052  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.973   0.899   0.391  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.806   0.848  -0.361  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.790   1.786  -0.142  1.00  0.00           N  
HETATM   12  C   UNL     1       0.502   1.418  -0.253  1.00  0.00           C  
HETATM   13  O   UNL     1       0.784   0.294  -0.610  1.00  0.00           O  
HETATM   14  N   UNL     1       2.900   1.767  -0.130  1.00  0.00           N  
HETATM   15  C   UNL     1       3.575   1.777  -1.286  1.00  0.00           C  
HETATM   16  O   UNL     1       3.175   2.318  -2.298  1.00  0.00           O  
HETATM   17  N   UNL     1       4.747   1.120  -1.202  1.00  0.00           N  
HETATM   18  C   UNL     1       4.848   0.622   0.177  1.00  0.00           C  
HETATM   19  C   UNL     1       6.056   1.231   0.876  1.00  0.00           C  
HETATM   20  C   UNL     1       7.324   0.580   0.310  1.00  0.00           C  
HETATM   21  C   UNL     1       7.366  -0.876   0.770  1.00  0.00           C  
HETATM   22  C   UNL     1       6.068  -1.571   0.455  1.00  0.00           C  
HETATM   23  C   UNL     1       6.061  -2.959   0.441  1.00  0.00           C  
HETATM   24  C   UNL     1       4.901  -3.652   0.163  1.00  0.00           C  
HETATM   25  C   UNL     1       3.735  -2.960  -0.104  1.00  0.00           C  
HETATM   26  C   UNL     1       3.739  -1.580  -0.092  1.00  0.00           C  
HETATM   27  C   UNL     1       4.906  -0.880   0.186  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572   1.103   0.832  1.00  0.00           C  
HETATM   29  O   UNL     1       3.224   0.923   1.979  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.649  -0.134  -1.330  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.653  -1.058  -1.543  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.812  -1.010  -0.789  1.00  0.00           C  
HETATM   33 CL   UNL     1      -5.072  -2.173  -1.060  1.00  0.00          Cl  
HETATM   34  H   UNL     1       1.510   3.268  -0.592  1.00  0.00           H  
HETATM   35  H   UNL     1       1.502   2.727   1.104  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.297  -0.048  -1.115  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.982  -1.245  -1.041  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.086  -1.049   0.342  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.547   2.355   0.488  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.906   2.412  -0.200  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.290   1.980  -1.233  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.098   1.662   1.145  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.016   2.701   0.090  1.00  0.00           H  
HETATM   44  H   UNL     1       5.397   0.999  -1.911  1.00  0.00           H  
HETATM   45  H   UNL     1       6.083   2.305   0.691  1.00  0.00           H  
HETATM   46  H   UNL     1       5.994   1.042   1.947  1.00  0.00           H  
HETATM   47  H   UNL     1       7.302   0.619  -0.779  1.00  0.00           H  
HETATM   48  H   UNL     1       8.204   1.109   0.678  1.00  0.00           H  
HETATM   49  H   UNL     1       8.181  -1.390   0.262  1.00  0.00           H  
HETATM   50  H   UNL     1       7.538  -0.907   1.846  1.00  0.00           H  
HETATM   51  H   UNL     1       6.971  -3.501   0.650  1.00  0.00           H  
HETATM   52  H   UNL     1       4.904  -4.732   0.154  1.00  0.00           H  
HETATM   53  H   UNL     1       2.823  -3.496  -0.322  1.00  0.00           H  
HETATM   54  H   UNL     1       2.828  -1.040  -0.300  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.743  -0.175  -1.916  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.531  -1.822  -2.297  1.00  0.00           H  
CONECT    1    9    9   32    6                                       
CONECT    2   14   12   34   35                                       
CONECT    3    4   36   37   38                                       
CONECT    4    3    6    5                                            
CONECT    5    4   39   40   41                                       
CONECT    6    1    7    7    4                                       
CONECT    6    8    8                                                 
CONECT    7    6    6                                                 
CONECT    8    6    6                                                 
CONECT    9   10    1    1   42                                       
CONECT   10   11   30   30    9                                       
CONECT   11   12   10   43                                            
CONECT   12    2   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   28    2   15                                            
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   44                                            
CONECT   18   19   28   27   17                                       
CONECT   19   20   18   45   46                                       
CONECT   20   21   19   47   48                                       
CONECT   21   22   20   49   50                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   51                                       
CONECT   24   23   25   25   52                                       
CONECT   25   24   24   26   53                                       
CONECT   26   27   27   25   54                                       
CONECT   27   22   18   26   26                                       
CONECT   28   29   29   18   14                                       
CONECT   29   28   28                                                 
CONECT   30   10   10   31   55                                       
CONECT   31   30   32   32   56                                       
CONECT   32   31   31    1   33                                       
CONECT   33   32                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
