COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       4.058   2.441   0.206  1.00  0.00          Cl  
HETATM    2  C   UNL     1       2.350   2.138   0.146  1.00  0.00           C  
HETATM    3  C   UNL     1       1.374   3.061   0.116  1.00  0.00           C  
HETATM    4  C   UNL     1       1.590   4.552   0.130  1.00  0.00           C  
HETATM    5  C   UNL     1       1.837   5.045  -1.297  1.00  0.00           C  
HETATM    6  N   UNL     1       0.149   2.440   0.070  1.00  0.00           N  
HETATM    7  C   UNL     1       1.696   0.830   0.111  1.00  0.00           C  
HETATM    8  C   UNL     1       2.142  -0.501   0.118  1.00  0.00           C  
HETATM    9  N   UNL     1       3.492  -0.796   0.167  1.00  0.00           N  
HETATM   10  C   UNL     1       3.894  -1.635  -0.983  1.00  0.00           C  
HETATM   11  C   UNL     1       4.999  -2.584  -0.485  1.00  0.00           C  
HETATM   12  N   UNL     1       4.584  -3.983  -0.655  1.00  0.00           N  
HETATM   13  C   UNL     1       5.172  -2.251   1.015  1.00  0.00           C  
HETATM   14  C   UNL     1       3.820  -1.587   1.380  1.00  0.00           C  
HETATM   15  N   UNL     1       1.235  -1.472   0.076  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.062  -1.194   0.030  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.523   0.046   0.021  1.00  0.00           N  
HETATM   18  C   UNL     1       0.313   1.082   0.070  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.214  -2.527  -0.024  1.00  0.00           S  
HETATM   20  C   UNL     1      -2.714  -1.627  -0.237  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.222  -1.398  -1.523  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.334  -0.734  -1.712  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.039  -0.240  -0.689  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.174   0.437  -0.905  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.853   0.914   0.113  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.407   0.726   1.423  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.296   0.066   1.662  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.588  -0.430   0.642  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.399  -1.147   0.864  1.00  0.00           C  
HETATM   30  H   UNL     1       0.705   5.043   0.536  1.00  0.00           H  
HETATM   31  H   UNL     1       2.454   4.788   0.751  1.00  0.00           H  
HETATM   32  H   UNL     1       2.721   4.554  -1.703  1.00  0.00           H  
HETATM   33  H   UNL     1       0.973   4.809  -1.918  1.00  0.00           H  
HETATM   34  H   UNL     1       1.993   6.124  -1.287  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.706   2.897   0.043  1.00  0.00           H  
HETATM   36  H   UNL     1       3.040  -2.213  -1.337  1.00  0.00           H  
HETATM   37  H   UNL     1       4.275  -1.005  -1.787  1.00  0.00           H  
HETATM   38  H   UNL     1       5.929  -2.398  -1.023  1.00  0.00           H  
HETATM   39  H   UNL     1       5.302  -4.615  -0.331  1.00  0.00           H  
HETATM   40  H   UNL     1       3.709  -4.160  -0.185  1.00  0.00           H  
HETATM   41  H   UNL     1       5.324  -3.161   1.597  1.00  0.00           H  
HETATM   42  H   UNL     1       5.997  -1.555   1.163  1.00  0.00           H  
HETATM   43  H   UNL     1       3.934  -0.935   2.246  1.00  0.00           H  
HETATM   44  H   UNL     1       3.057  -2.343   1.564  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.684  -1.780  -2.378  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.768   1.460  -0.065  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.980   1.126   2.246  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.027  -1.310   1.865  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    7    3    3    1                                       
CONECT    3    6    2    2    4                                       
CONECT    4    3    5   30   31                                       
CONECT    5    4   32   33   34                                       
CONECT    6   18    3   35                                            
CONECT    7    8    8   18    2                                       
CONECT    8   15    9    7    7                                       
CONECT    9   14    8   10                                            
CONECT   10   11    9   36   37                                       
CONECT   11   12   13   10   38                                       
CONECT   12   11   39   40                                            
CONECT   13   14   11   41   42                                       
CONECT   14   13    9   43   44                                       
CONECT   15   16   16    8                                            
CONECT   16   19   15   15   17                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17    7    6                                       
CONECT   19   20   16                                                 
CONECT   20   21   21   29   19                                       
CONECT   21   22   20   20   45                                       
CONECT   22   23   23   21                                            
CONECT   23   24   22   22   28                                       
CONECT   24   25   25   23                                            
CONECT   25   24   24   26   46                                       
CONECT   26   25   27   27   47                                       
CONECT   27   26   26   28                                            
CONECT   28   23   27   29   29                                       
CONECT   29   28   28   20   48                                       
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   21                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
