COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.389   2.910   1.881  1.00  0.00           C  
HETATM    2  N   UNL     1      -7.146   2.680   1.133  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.813   1.253   1.293  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.460   2.897  -0.284  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.177   2.905  -1.121  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.424   1.609  -0.825  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.765   0.895   0.295  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.460   1.126  -1.580  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.851  -0.009  -1.265  1.00  0.00           C  
HETATM   10  S   UNL     1      -4.703  -0.459   0.242  1.00  0.00           S  
HETATM   11  C   UNL     1      -2.764  -0.712  -1.967  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.778  -0.795  -3.181  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.753  -1.262  -1.266  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.732  -2.077  -1.939  1.00  0.00           C  
HETATM   15  C   UNL     1       0.650  -1.492  -1.623  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.648  -1.052   0.185  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.818  -2.370   0.896  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.658  -3.410   0.293  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.149  -2.393   2.203  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.269  -0.472   0.502  1.00  0.00           C  
HETATM   21  N   UNL     1       0.751  -1.287  -0.171  1.00  0.00           N  
HETATM   22  S   UNL     1       1.993  -1.963   0.691  1.00  0.00           S  
HETATM   23  O   UNL     1       2.451  -3.060  -0.087  1.00  0.00           O  
HETATM   24  O   UNL     1       1.534  -2.042   2.033  1.00  0.00           O  
HETATM   25  C   UNL     1       3.318  -0.801   0.705  1.00  0.00           C  
HETATM   26  C   UNL     1       3.393   0.141   1.730  1.00  0.00           C  
HETATM   27  C   UNL     1       4.403   1.052   1.771  1.00  0.00           C  
HETATM   28  C   UNL     1       5.386   1.046   0.766  1.00  0.00           C  
HETATM   29  C   UNL     1       6.444   1.971   0.775  1.00  0.00           C  
HETATM   30  C   UNL     1       5.310   0.088  -0.275  1.00  0.00           C  
HETATM   31  C   UNL     1       4.255  -0.841  -0.281  1.00  0.00           C  
HETATM   32  C   UNL     1       6.293   0.081  -1.280  1.00  0.00           C  
HETATM   33  C   UNL     1       7.303   0.992  -1.239  1.00  0.00           C  
HETATM   34  C   UNL     1       7.379   1.935  -0.215  1.00  0.00           C  
HETATM   35 CL   UNL     1       8.685   3.079  -0.201  1.00  0.00          Cl  
HETATM   36  H   UNL     1      -9.152   2.209   1.541  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.206   2.761   2.945  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.732   3.931   1.711  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.435   1.076   2.300  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.704   0.649   1.122  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.113   2.098  -0.634  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.971   3.853  -0.398  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.428   2.953  -2.181  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.562   3.762  -0.847  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.787  -3.104  -1.577  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.900  -2.057  -3.016  1.00  0.00           H  
HETATM   47  H   UNL     1       1.424  -2.186  -1.949  1.00  0.00           H  
HETATM   48  H   UNL     1       0.769  -0.538  -2.136  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.422  -0.357   0.512  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.277  -1.561   2.685  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.258  -3.241   2.660  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.102  -0.492   1.579  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.215   0.555   0.140  1.00  0.00           H  
HETATM   54  H   UNL     1       2.639   0.148   2.503  1.00  0.00           H  
HETATM   55  H   UNL     1       4.448   1.777   2.570  1.00  0.00           H  
HETATM   56  H   UNL     1       6.515   2.707   1.562  1.00  0.00           H  
HETATM   57  H   UNL     1       4.186  -1.579  -1.066  1.00  0.00           H  
HETATM   58  H   UNL     1       6.246  -0.643  -2.079  1.00  0.00           H  
HETATM   59  H   UNL     1       8.057   0.985  -2.013  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3    4                                            
CONECT    3    2    7   39   40                                       
CONECT    4    2    5   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    7    7    8                                       
CONECT    7    3    6    6   10                                       
CONECT    8    6    9    9                                            
CONECT    9    8    8   10   11                                       
CONECT   10    7    9                                                 
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   16                                            
CONECT   14   13   15   45   46                                       
CONECT   15   14   21   47   48                                       
CONECT   16   13   17   20   49                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   50   51                                            
CONECT   20   16   21   52   53                                       
CONECT   21   15   20   22                                            
CONECT   22   21   23   23   24                                       
CONECT   22   24   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26   26   31                                       
CONECT   26   25   25   27   54                                       
CONECT   27   26   28   28   55                                       
CONECT   28   27   27   29   30                                       
CONECT   29   28   34   34   56                                       
CONECT   30   28   31   31   32                                       
CONECT   31   25   30   30   57                                       
CONECT   32   30   33   33   58                                       
CONECT   33   32   32   34   59                                       
CONECT   34   29   29   33   35                                       
CONECT   35   34                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
