COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.079   1.189   1.206  1.00  0.00           C  
HETATM    2  C   UNL     1       0.749   2.395   0.599  1.00  0.00           C  
HETATM    3 CL   UNL     1       2.865  -1.534  -2.210  1.00  0.00          Cl  
HETATM    4  N   UNL     1       1.816   2.951   1.208  1.00  0.00           N  
HETATM    5  C   UNL     1       2.467   4.123   0.619  1.00  0.00           C  
HETATM    6  C   UNL     1       2.485   4.168  -0.887  1.00  0.00           C  
HETATM    7  O   UNL     1       0.329   2.866  -0.436  1.00  0.00           O  
HETATM    8  C   UNL     1       2.337   5.453   1.365  1.00  0.00           C  
HETATM    9  C   UNL     1       3.673   4.707   1.358  1.00  0.00           C  
HETATM   10  N   UNL     1       2.424   3.082  -1.561  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.051   0.770   0.364  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.822  -0.617  -0.079  1.00  0.00           C  
HETATM   13  C   UNL     1       0.714  -0.807  -0.008  1.00  0.00           C  
HETATM   14  C   UNL     1       1.070   0.008   1.263  1.00  0.00           C  
HETATM   15  S   UNL     1       1.143  -2.557   0.199  1.00  0.00           S  
HETATM   16  C   UNL     1       2.903  -2.570   0.291  1.00  0.00           C  
HETATM   17  C   UNL     1       3.655  -2.116  -0.777  1.00  0.00           C  
HETATM   18  C   UNL     1       5.037  -2.126  -0.704  1.00  0.00           C  
HETATM   19  C   UNL     1       5.665  -2.590   0.436  1.00  0.00           C  
HETATM   20  C   UNL     1       4.912  -3.044   1.504  1.00  0.00           C  
HETATM   21  C   UNL     1       3.532  -3.028   1.434  1.00  0.00           C  
HETATM   22  O   UNL     1       0.723  -3.026   1.473  1.00  0.00           O  
HETATM   23  O   UNL     1       0.849  -3.287  -0.984  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.121   1.528   0.051  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.267   2.615   0.570  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.523   1.960  -2.091  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.136   1.025  -0.943  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.648   0.734  -2.365  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.509  -0.243   0.182  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.186  -1.503   0.656  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.873  -1.944   0.611  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.888  -1.125   0.094  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.212   0.133  -0.379  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.521   0.574  -0.335  1.00  0.00           C  
HETATM   35  F   UNL     1      -7.150  -2.303   1.162  1.00  0.00           F  
HETATM   36  H   UNL     1      -0.273   1.427   2.209  1.00  0.00           H  
HETATM   37  H   UNL     1       2.152   2.574   2.036  1.00  0.00           H  
HETATM   38  H   UNL     1       2.264   6.361   0.766  1.00  0.00           H  
HETATM   39  H   UNL     1       1.766   5.455   2.293  1.00  0.00           H  
HETATM   40  H   UNL     1       3.981   4.219   2.282  1.00  0.00           H  
HETATM   41  H   UNL     1       4.479   5.125   0.754  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.324  -1.317   0.589  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.174  -0.752  -1.102  1.00  0.00           H  
HETATM   44  H   UNL     1       1.200  -0.390  -0.890  1.00  0.00           H  
HETATM   45  H   UNL     1       2.099   0.365   1.216  1.00  0.00           H  
HETATM   46  H   UNL     1       0.908  -0.588   2.161  1.00  0.00           H  
HETATM   47  H   UNL     1       5.624  -1.772  -1.538  1.00  0.00           H  
HETATM   48  H   UNL     1       6.743  -2.598   0.493  1.00  0.00           H  
HETATM   49  H   UNL     1       5.404  -3.407   2.395  1.00  0.00           H  
HETATM   50  H   UNL     1       2.945  -3.379   2.270  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.555   1.929  -2.439  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.043   2.938  -2.127  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.105  -0.103  -2.892  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.593   0.907  -2.580  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.532   0.099   0.212  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.621  -2.926   0.981  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.864  -1.468   0.059  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.773   1.557  -0.705  1.00  0.00           H  
HETATM   59  H   UNL     1       2.550   5.118  -1.398  1.00  0.00           H  
HETATM   60  H   UNL     1       2.436   3.111  -2.530  1.00  0.00           H  
CONECT    1    2   14   11   36                                       
CONECT    2    1    7    7    4                                       
CONECT    3   17                                                      
CONECT    4    2    5   37                                            
CONECT    5    4    6    8    9                                       
CONECT    6    5   10   10   59                                       
CONECT    7    2    2                                                 
CONECT    8    5   38   39    9                                       
CONECT    9    5    8   40   41                                       
CONECT   10    6    6   60                                            
CONECT   11    1   12   24                                            
CONECT   12   11   42   13   43                                       
CONECT   13   12   44   14   15                                       
CONECT   14    1   13   46   45                                       
CONECT   15   13   22   22   16                                       
CONECT   15   23   23                                                 
CONECT   16   15   17   17   21                                       
CONECT   17    3   16   16   18                                       
CONECT   18   17   47   19   19                                       
CONECT   19   18   18   48   20                                       
CONECT   20   19   21   21   49                                       
CONECT   21   16   20   20   50                                       
CONECT   22   15   15                                                 
CONECT   23   15   15                                                 
CONECT   24   11   25   25   27                                       
CONECT   25   24   24                                                 
CONECT   26   27   28   51   52                                       
CONECT   27   24   26   33   28                                       
CONECT   28   26   27   54   53                                       
CONECT   29   55   30   30   34                                       
CONECT   30   29   29   35   31                                       
CONECT   31   30   56   32   32                                       
CONECT   32   31   31   33   57                                       
CONECT   33   27   32   34   34                                       
CONECT   34   29   33   33   58                                       
CONECT   35   30                                                      
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   34                                                      
CONECT   59    6                                                      
CONECT   60   10                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
