COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.588   1.405  -0.877  1.00  0.00           N  
HETATM    2  N   UNL     1       0.049   1.544  -0.037  1.00  0.00           N  
HETATM    3  C   UNL     1       6.426  -1.161   0.885  1.00  0.00           C  
HETATM    4  C   UNL     1       5.261  -0.594   0.366  1.00  0.00           C  
HETATM    5  C   UNL     1       4.203  -1.418  -0.020  1.00  0.00           C  
HETATM    6  C   UNL     1       5.149   0.874   0.227  1.00  0.00           C  
HETATM    7  C   UNL     1       4.053   0.517  -1.936  1.00  0.00           C  
HETATM    8  C   UNL     1       1.934   1.830  -1.975  1.00  0.00           C  
HETATM    9  C   UNL     1       1.135   2.293   0.237  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.127   0.515   0.399  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.394  -0.517   2.132  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.556  -0.885  -2.211  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.280  -1.141  -1.940  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.864  -0.831  -0.649  1.00  0.00           C  
HETATM   15  C   UNL     1       4.315  -2.787   0.113  1.00  0.00           C  
HETATM   16  C   UNL     1       3.205   3.415  -0.421  1.00  0.00           C  
HETATM   17  C   UNL     1       4.506   2.831  -1.025  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.019   1.411   0.957  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.225   0.378   1.422  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.662   0.128   1.563  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.835  -0.307   0.123  1.00  0.00           C  
HETATM   22  C   UNL     1       5.473  -3.343   0.628  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.445  -1.062  -0.142  1.00  0.00           C  
HETATM   24  C   UNL     1       6.528  -2.532   1.007  1.00  0.00           C  
HETATM   25  C   UNL     1       2.586   0.443  -1.848  1.00  0.00           C  
HETATM   26  N   UNL     1       2.068   2.500  -0.714  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.312  -0.370   1.148  1.00  0.00           N  
HETATM   28  O   UNL     1       5.561   1.601   1.109  1.00  0.00           O  
HETATM   29  O   UNL     1       1.274   2.782   1.341  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.131   0.942   2.492  1.00  0.00           O  
HETATM   31  S   UNL     1      -8.335  -0.205  -0.790  1.00  0.00           S  
HETATM   32 CL   UNL     1       2.997  -3.814  -0.360  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -0.027   1.094  -0.893  1.00  0.00           H  
HETATM   34  H   UNL     1       7.249  -0.529   1.186  1.00  0.00           H  
HETATM   35  H   UNL     1       3.299  -0.984  -0.422  1.00  0.00           H  
HETATM   36  H   UNL     1       4.336   0.909  -2.913  1.00  0.00           H  
HETATM   37  H   UNL     1       4.472  -0.482  -1.816  1.00  0.00           H  
HETATM   38  H   UNL     1       2.439   2.404  -2.753  1.00  0.00           H  
HETATM   39  H   UNL     1       0.879   1.721  -2.224  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.531   0.960  -0.510  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.718  -0.469   0.171  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.115  -0.019   3.061  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.577  -1.574   2.325  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.039  -1.066  -3.159  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.610  -1.564  -2.674  1.00  0.00           H  
HETATM   46  H   UNL     1       3.319   3.518   0.659  1.00  0.00           H  
HETATM   47  H   UNL     1       3.007   4.393  -0.860  1.00  0.00           H  
HETATM   48  H   UNL     1       5.361   3.287  -0.527  1.00  0.00           H  
HETATM   49  H   UNL     1       4.544   3.079  -2.086  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.615   0.966   1.866  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.428   2.395   1.185  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.526  -0.189   2.146  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.570   1.214   1.607  1.00  0.00           H  
HETATM   54  H   UNL     1       5.556  -4.415   0.730  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.270  -2.129  -0.008  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.728  -0.656  -0.855  1.00  0.00           H  
HETATM   57  H   UNL     1       7.429  -2.971   1.408  1.00  0.00           H  
HETATM   58  H   UNL     1       2.214  -0.199  -2.647  1.00  0.00           H  
HETATM   59  H   UNL     1       2.309   0.008  -0.887  1.00  0.00           H  
CONECT    1    6    7   17                                            
CONECT    2    9   18   33                                            
CONECT    3   24   24    4   34                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4   15   35                                       
CONECT    6    4   28   28    1                                       
CONECT    7    1   25   36   37                                       
CONECT    8   25   26   38   39                                       
CONECT    9   26   29   29    2                                       
CONECT   10   18   19   40   41                                       
CONECT   11   27   20   42   43                                       
CONECT   12   31   13   13   44                                       
CONECT   13   12   12   14   45                                       
CONECT   14   13   23   21   21                                       
CONECT   15   22   22    5   32                                       
CONECT   16   26   17   46   47                                       
CONECT   17   16    1   48   49                                       
CONECT   18    2   10   50   51                                       
CONECT   19   10   30   30   27                                       
CONECT   20   11   21   52   53                                       
CONECT   21   20   31   14   14                                       
CONECT   22   15   15   24   54                                       
CONECT   23   14   27   55   56                                       
CONECT   24   22    3    3   57                                       
CONECT   25    7    8   58   59                                       
CONECT   26    8   16    9                                            
CONECT   27   19   11   23                                            
CONECT   28    6    6                                                 
CONECT   29    9    9                                                 
CONECT   30   19   19                                                 
CONECT   31   21   12                                                 
CONECT   32   15                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
