COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.787  -3.362   0.416  1.00  0.00           C  
HETATM    2  N   UNL     1       1.960  -3.178   2.617  1.00  0.00           N  
HETATM    3  N   UNL     1       3.130  -3.612   2.295  1.00  0.00           N  
HETATM    4  C   UNL     1       3.490  -3.110   1.140  1.00  0.00           C  
HETATM    5  C   UNL     1       1.001   1.414  -2.306  1.00  0.00           C  
HETATM    6  C   UNL     1       2.445  -0.359  -4.249  1.00  0.00           C  
HETATM    7  S   UNL     1       2.976  -2.056  -1.972  1.00  0.00           S  
HETATM    8  C   UNL     1       2.313  -0.647  -2.776  1.00  0.00           C  
HETATM    9  C   UNL     1       1.681   0.129  -1.911  1.00  0.00           C  
HETATM   10 CL   UNL     1       1.547   6.316   0.613  1.00  0.00          Cl  
HETATM   11  C   UNL     1       0.142   2.605   1.048  1.00  0.00           C  
HETATM   12  C   UNL     1       0.252   3.980   1.052  1.00  0.00           C  
HETATM   13  C   UNL     1       1.415   4.585   0.605  1.00  0.00           C  
HETATM   14  C   UNL     1       2.472   3.815   0.152  1.00  0.00           C  
HETATM   15  C   UNL     1       2.373   2.439   0.144  1.00  0.00           C  
HETATM   16  C   UNL     1       1.204   1.824   0.593  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.252  -0.682   1.382  1.00  0.00           O  
HETATM   18  O   UNL     1      -7.971   0.380  -0.195  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.807  -0.748  -1.593  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.089  -0.241  -1.510  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.709  -0.119  -0.275  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.042  -0.507   0.877  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.761  -1.015   0.796  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.140  -1.137  -0.439  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.841  -1.657  -0.523  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.955  -1.419   0.465  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.596  -2.068   0.430  1.00  0.00           C  
HETATM   28  C   UNL     1       0.208  -1.635   1.658  1.00  0.00           C  
HETATM   29  N   UNL     1       0.472  -0.197   1.588  1.00  0.00           N  
HETATM   30  C   UNL     1       1.093   0.347   0.591  1.00  0.00           C  
HETATM   31  C   UNL     1       1.702  -0.370  -0.547  1.00  0.00           C  
HETATM   32  C   UNL     1       2.361  -1.578  -0.454  1.00  0.00           C  
HETATM   33  N   UNL     1       2.471  -2.320   0.724  1.00  0.00           N  
HETATM   34  C   UNL     1       1.518  -2.378   1.690  1.00  0.00           C  
HETATM   35  H   UNL     1       4.675  -4.225  -0.241  1.00  0.00           H  
HETATM   36  H   UNL     1       5.048  -2.486  -0.178  1.00  0.00           H  
HETATM   37  H   UNL     1       5.577  -3.557   1.141  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.022   1.203  -2.619  1.00  0.00           H  
HETATM   39  H   UNL     1       0.987   2.095  -1.455  1.00  0.00           H  
HETATM   40  H   UNL     1       1.545   1.875  -3.131  1.00  0.00           H  
HETATM   41  H   UNL     1       3.011  -1.159  -4.726  1.00  0.00           H  
HETATM   42  H   UNL     1       1.453  -0.299  -4.698  1.00  0.00           H  
HETATM   43  H   UNL     1       2.966   0.588  -4.389  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.764   2.134   1.400  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.570   4.586   1.405  1.00  0.00           H  
HETATM   46  H   UNL     1       3.376   4.292  -0.196  1.00  0.00           H  
HETATM   47  H   UNL     1       3.198   1.839  -0.210  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.665  -0.291  -0.256  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.326  -0.846  -2.555  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.609   0.062  -2.408  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.525  -0.412   1.839  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.242  -1.317   1.694  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.579  -2.187  -1.291  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.711  -3.152   0.435  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.070  -1.762  -0.474  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.359  -1.859   2.562  1.00  0.00           H  
CONECT    1    4   35   36   37                                       
CONECT    2   34   34    3                                            
CONECT    3    2    4    4                                            
CONECT    4   33    3    3    1                                       
CONECT    5    9   38   39   40                                       
CONECT    6    8   41   42   43                                       
CONECT    7   32    8                                                 
CONECT    8    9    9    6    7                                       
CONECT    9    5   31    8    8                                       
CONECT   10   13                                                      
CONECT   11   12   16   16   44                                       
CONECT   12   13   13   11   45                                       
CONECT   13   10   12   12   14                                       
CONECT   14   13   15   15   46                                       
CONECT   15   14   14   16   47                                       
CONECT   16   11   11   15   30                                       
CONECT   17   26   26                                                 
CONECT   18   21   48                                                 
CONECT   19   20   24   24   49                                       
CONECT   20   21   21   19   50                                       
CONECT   21   18   20   20   22                                       
CONECT   22   21   23   23   51                                       
CONECT   23   22   22   24   52                                       
CONECT   24   19   19   23   25                                       
CONECT   25   24   26   53                                            
CONECT   26   25   17   17   27                                       
CONECT   27   26   28   54   55                                       
CONECT   28   29   27   34   56                                       
CONECT   29   30   30   28                                            
CONECT   30   16   29   29   31                                       
CONECT   31   30    9   32   32                                       
CONECT   32   31   31   33    7                                       
CONECT   33   34   32    4                                            
CONECT   34   28    2    2   33                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
