COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -7.351   0.488   0.124  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -6.063  -0.651  -0.114  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.196  -1.967  -0.409  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.980  -2.504  -0.515  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.072  -1.568  -0.297  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.729  -0.389  -0.047  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.001   0.743   0.208  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.644   0.688   0.206  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.863   1.918   0.482  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.470   1.878   0.485  1.00  0.00           C  
HETATM   11  C   UNL     1       0.251   3.026   0.742  1.00  0.00           C  
HETATM   12  C   UNL     1       1.757   2.983   0.745  1.00  0.00           C  
HETATM   13  N   UNL     1       2.256   3.265  -0.604  1.00  0.00           N  
HETATM   14  S   UNL     1       3.850   3.651  -0.833  1.00  0.00           S  
HETATM   15  O   UNL     1       4.096   4.694   0.100  1.00  0.00           O  
HETATM   16  C   UNL     1       4.752   2.149  -0.360  1.00  0.00           C  
HETATM   17  O   UNL     1       3.958   3.878  -2.231  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.407   4.216   0.997  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.789   4.262   0.996  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.520   3.121   0.735  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.995  -0.465  -0.041  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.654  -1.579  -0.283  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.964  -2.754  -0.537  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.570  -2.786  -0.420  1.00  0.00           C  
HETATM   25  C   UNL     1       0.186  -3.531  -1.316  1.00  0.00           C  
HETATM   26  C   UNL     1       1.561  -3.563  -1.201  1.00  0.00           C  
HETATM   27  C   UNL     1       2.190  -2.850  -0.188  1.00  0.00           C  
HETATM   28  N   UNL     1       3.584  -2.882  -0.071  1.00  0.00           N  
HETATM   29  C   UNL     1       4.036  -2.062   1.062  1.00  0.00           C  
HETATM   30  C   UNL     1       5.566  -2.077   1.117  1.00  0.00           C  
HETATM   31  O   UNL     1       6.022  -3.430   1.211  1.00  0.00           O  
HETATM   32  C   UNL     1       5.600  -4.256   0.123  1.00  0.00           C  
HETATM   33  C   UNL     1       4.070  -4.263   0.058  1.00  0.00           C  
HETATM   34  C   UNL     1       1.434  -2.105   0.708  1.00  0.00           C  
HETATM   35  C   UNL     1       0.059  -2.069   0.590  1.00  0.00           C  
HETATM   36  H   UNL     1      -7.131  -2.493  -0.536  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.505   1.677   0.408  1.00  0.00           H  
HETATM   38  H   UNL     1       0.045   0.949   0.286  1.00  0.00           H  
HETATM   39  H   UNL     1       2.141   3.732   1.438  1.00  0.00           H  
HETATM   40  H   UNL     1       2.092   1.994   1.057  1.00  0.00           H  
HETATM   41  H   UNL     1       1.653   3.225  -1.362  1.00  0.00           H  
HETATM   42  H   UNL     1       4.438   1.322  -0.996  1.00  0.00           H  
HETATM   43  H   UNL     1       5.823   2.315  -0.481  1.00  0.00           H  
HETATM   44  H   UNL     1       4.537   1.909   0.682  1.00  0.00           H  
HETATM   45  H   UNL     1       0.162   5.113   1.197  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.297   5.194   1.196  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.599   3.159   0.730  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.448  -3.554  -0.796  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.303  -4.086  -2.103  1.00  0.00           H  
HETATM   50  H   UNL     1       2.148  -4.142  -1.898  1.00  0.00           H  
HETATM   51  H   UNL     1       3.687  -1.038   0.934  1.00  0.00           H  
HETATM   52  H   UNL     1       3.635  -2.471   1.990  1.00  0.00           H  
HETATM   53  H   UNL     1       5.967  -1.620   0.213  1.00  0.00           H  
HETATM   54  H   UNL     1       5.905  -1.517   1.989  1.00  0.00           H  
HETATM   55  H   UNL     1       6.002  -3.862  -0.811  1.00  0.00           H  
HETATM   56  H   UNL     1       5.963  -5.272   0.275  1.00  0.00           H  
HETATM   57  H   UNL     1       3.669  -4.707   0.969  1.00  0.00           H  
HETATM   58  H   UNL     1       3.745  -4.845  -0.805  1.00  0.00           H  
HETATM   59  H   UNL     1       1.923  -1.551   1.496  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.528  -1.487   1.284  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4   36                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6   22                                       
CONECT    6    2    5    7                                            
CONECT    7    6    8    8   37                                       
CONECT    8    7    7   21    9                                       
CONECT    9    8   20   20   10                                       
CONECT   10    9   11   11   38                                       
CONECT   11   10   10   18   12                                       
CONECT   12   11   13   39   40                                       
CONECT   13   12   14   41                                            
CONECT   14   13   15   15   17                                       
CONECT   14   17   16                                                 
CONECT   15   14   14                                                 
CONECT   16   14   42   43   44                                       
CONECT   17   14   14                                                 
CONECT   18   11   19   19   45                                       
CONECT   19   18   18   20   46                                       
CONECT   20    9    9   19   47                                       
CONECT   21    8   22   22                                            
CONECT   22    5   21   21   23                                       
CONECT   23   22   24   48                                            
CONECT   24   23   35   35   25                                       
CONECT   25   24   26   26   49                                       
CONECT   26   25   25   27   50                                       
CONECT   27   26   34   34   28                                       
CONECT   28   27   33   29                                            
CONECT   29   28   30   51   52                                       
CONECT   30   29   31   53   54                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   55   56                                       
CONECT   33   28   32   57   58                                       
CONECT   34   27   27   35   59                                       
CONECT   35   24   24   34   60                                       
CONECT   36    3                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
