COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.609   2.045  -1.693  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.665   1.104   2.925  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.264   4.113   2.235  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.060  -2.342  -0.571  1.00  0.00           O  
HETATM    5  O   UNL     1      -3.655  -0.282  -1.928  1.00  0.00           O  
HETATM    6 CL   UNL     1      -2.407  -3.209   1.237  1.00  0.00          Cl  
HETATM    7 CL   UNL     1      -1.490   0.825  -2.237  1.00  0.00          Cl  
HETATM    8  C   UNL     1       4.260  -2.694   1.259  1.00  0.00           C  
HETATM    9  C   UNL     1       2.900  -2.570   1.054  1.00  0.00           C  
HETATM   10  C   UNL     1       0.064  -2.302   0.617  1.00  0.00           C  
HETATM   11  C   UNL     1       0.474  -0.502  -0.933  1.00  0.00           C  
HETATM   12  C   UNL     1       3.310  -0.770  -0.497  1.00  0.00           C  
HETATM   13  C   UNL     1       7.185   1.821  -0.643  1.00  0.00           C  
HETATM   14  C   UNL     1       4.861   2.062  -0.004  1.00  0.00           C  
HETATM   15  C   UNL     1       8.412   0.932  -0.435  1.00  0.00           C  
HETATM   16  C   UNL     1       5.176   3.085   1.089  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.449   3.359   0.101  1.00  0.00           N  
HETATM   18  N   UNL     1       5.989   1.130  -0.142  1.00  0.00           N  
HETATM   19  N   UNL     1      -4.103  -0.115   0.493  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.936   2.235  -0.358  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.091   1.804   1.661  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.294  -2.169   0.404  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.887  -0.377  -1.140  1.00  0.00           C  
HETATM   24  C   UNL     1       2.417  -1.605   0.173  1.00  0.00           C  
HETATM   25  C   UNL     1       0.957  -1.467  -0.052  1.00  0.00           C  
HETATM   26  C   UNL     1       4.667  -0.903  -0.284  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.724   1.236   0.604  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.769  -1.209  -0.472  1.00  0.00           C  
HETATM   29  C   UNL     1       5.141  -1.863   0.592  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.909   3.120   1.371  1.00  0.00           N  
HETATM   31  C   UNL     1       5.633  -0.002  -1.008  1.00  0.00           C  
HETATM   32  S   UNL     1      -3.503  -1.045  -0.739  1.00  0.00           S  
HETATM   33  H   UNL     1      -3.854   1.868  -2.459  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.282   1.189  -1.642  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.178   2.940  -1.943  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.654   0.715   2.803  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.685   1.809   3.756  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.348   0.280   3.132  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.013   4.577   2.877  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.511   3.622   2.852  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.789   4.876   1.619  1.00  0.00           H  
HETATM   42  H   UNL     1       4.635  -3.439   1.945  1.00  0.00           H  
HETATM   43  H   UNL     1       2.213  -3.220   1.575  1.00  0.00           H  
HETATM   44  H   UNL     1       6.204  -1.964   0.756  1.00  0.00           H  
HETATM   45  H   UNL     1       0.434  -3.049   1.304  1.00  0.00           H  
HETATM   46  H   UNL     1       1.161   0.147  -1.455  1.00  0.00           H  
HETATM   47  H   UNL     1       2.940  -0.021  -1.181  1.00  0.00           H  
HETATM   48  H   UNL     1       3.962   1.508   0.264  1.00  0.00           H  
HETATM   49  H   UNL     1       4.700   2.579  -0.950  1.00  0.00           H  
HETATM   50  H   UNL     1       4.339   3.777   1.191  1.00  0.00           H  
HETATM   51  H   UNL     1       5.337   2.568   2.035  1.00  0.00           H  
HETATM   52  H   UNL     1       6.075   3.640   0.820  1.00  0.00           H  
HETATM   53  H   UNL     1       7.318   2.757  -0.100  1.00  0.00           H  
HETATM   54  H   UNL     1       7.064   2.032  -1.706  1.00  0.00           H  
HETATM   55  H   UNL     1       8.327   0.044  -1.061  1.00  0.00           H  
HETATM   56  H   UNL     1       9.311   1.484  -0.707  1.00  0.00           H  
HETATM   57  H   UNL     1       8.472   0.634   0.612  1.00  0.00           H  
HETATM   58  H   UNL     1       5.169   0.371  -1.921  1.00  0.00           H  
HETATM   59  H   UNL     1       6.533  -0.562  -1.260  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.716  -0.502   1.138  1.00  0.00           H  
CONECT    1   20   33   34   35                                       
CONECT    2   21   36   37   38                                       
CONECT    3   30   39   40   41                                       
CONECT    4   32   32                                                 
CONECT    5   32   32                                                 
CONECT    6   22                                                      
CONECT    7   23                                                      
CONECT    8    9   29   29   42                                       
CONECT    9    8   24   24   43                                       
CONECT   10   22   25   25   45                                       
CONECT   11   23   23   25   46                                       
CONECT   12   24   26   26   47                                       
CONECT   13   15   18   53   54                                       
CONECT   14   16   18   48   49                                       
CONECT   15   13   55   56   57                                       
CONECT   16   14   50   51   52                                       
CONECT   17   20   20   30                                            
CONECT   18   14   13   31                                            
CONECT   19   27   32   60                                            
CONECT   20    1   17   17   27                                       
CONECT   21    2   27   27   30                                       
CONECT   22    6   10   28   28                                       
CONECT   23    7   11   11   28                                       
CONECT   24    9    9   12   25                                       
CONECT   25   10   10   11   24                                       
CONECT   26   12   12   29   31                                       
CONECT   27   19   20   21   21                                       
CONECT   28   22   22   23   32                                       
CONECT   29    8    8   26   44                                       
CONECT   30    3   17   21                                            
CONECT   31   18   26   58   59                                       
CONECT   32    4    4    5    5                                       
CONECT   32   19   28                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   29                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   19                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
