COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.804   0.825   0.065  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.805   2.488  -2.046  1.00  0.00           N  
HETATM    3  C   UNL     1       4.140  -0.236   2.233  1.00  0.00           C  
HETATM    4  C   UNL     1       1.889  -0.264   1.166  1.00  0.00           C  
HETATM    5  C   UNL     1       0.844   0.592   0.497  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.340   0.860  -0.401  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.932   1.776  -1.348  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.626   1.472  -0.950  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.573  -0.337   0.926  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.725   0.690  -0.182  1.00  0.00           C  
HETATM   11  C   UNL     1       2.168  -1.472   0.312  1.00  0.00           C  
HETATM   12  C   UNL     1       2.715  -3.672  -1.288  1.00  0.00           C  
HETATM   13  C   UNL     1       3.391  -2.489  -1.509  1.00  0.00           C  
HETATM   14  C   UNL     1       3.121  -1.382  -0.709  1.00  0.00           C  
HETATM   15  O   UNL     1       4.386   0.133  -1.969  1.00  0.00           O  
HETATM   16  C   UNL     1       3.815  -0.094  -0.920  1.00  0.00           C  
HETATM   17  C   UNL     1       4.437   2.127  -0.159  1.00  0.00           C  
HETATM   18  C   UNL     1       5.853   2.093   0.356  1.00  0.00           C  
HETATM   19  O   UNL     1       6.322   1.055   0.772  1.00  0.00           O  
HETATM   20  N   UNL     1       6.599   3.216   0.353  1.00  0.00           N  
HETATM   21  C   UNL     1       7.976   3.182   0.853  1.00  0.00           C  
HETATM   22  C   UNL     1       1.777  -3.758  -0.272  1.00  0.00           C  
HETATM   23 CL   UNL     1       0.933  -5.251  -0.002  1.00  0.00          Cl  
HETATM   24  C   UNL     1       1.504  -2.659   0.527  1.00  0.00           C  
HETATM   25  C   UNL     1       3.168   0.549   1.351  1.00  0.00           C  
HETATM   26  O   UNL     1       1.128   1.707   0.113  1.00  0.00           O  
HETATM   27  N   UNL     1      -0.405   0.118   0.325  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.103   2.376  -1.889  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.226  -0.218   0.760  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.459   0.430   0.172  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.008   1.321  -0.752  1.00  0.00           C  
HETATM   32  S   UNL     1      -7.194   0.242   0.420  1.00  0.00           S  
HETATM   33  O   UNL     1      -7.769   0.628  -0.821  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.336  -1.083   0.912  1.00  0.00           O  
HETATM   35  C   UNL     1      -7.600   1.448   1.712  1.00  0.00           C  
HETATM   36  H   UNL     1       4.376  -1.188   1.756  1.00  0.00           H  
HETATM   37  H   UNL     1       5.055   0.340   2.368  1.00  0.00           H  
HETATM   38  H   UNL     1       3.680  -0.421   3.204  1.00  0.00           H  
HETATM   39  H   UNL     1       1.521  -0.586   2.140  1.00  0.00           H  
HETATM   40  H   UNL     1       0.124   1.916  -1.525  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.959  -1.037   1.652  1.00  0.00           H  
HETATM   42  H   UNL     1       2.918  -4.533  -1.908  1.00  0.00           H  
HETATM   43  H   UNL     1       4.123  -2.421  -2.301  1.00  0.00           H  
HETATM   44  H   UNL     1       4.444   2.349  -1.226  1.00  0.00           H  
HETATM   45  H   UNL     1       3.878   2.899   0.369  1.00  0.00           H  
HETATM   46  H   UNL     1       6.224   4.046   0.019  1.00  0.00           H  
HETATM   47  H   UNL     1       7.975   2.869   1.897  1.00  0.00           H  
HETATM   48  H   UNL     1       8.560   2.476   0.262  1.00  0.00           H  
HETATM   49  H   UNL     1       8.416   4.176   0.772  1.00  0.00           H  
HETATM   50  H   UNL     1       0.772  -2.734   1.318  1.00  0.00           H  
HETATM   51  H   UNL     1       2.924   1.493   1.839  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.656  -0.739   0.705  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.771   2.981  -2.484  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.549  -0.818   1.350  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.707   1.908  -1.329  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.344   2.450   1.368  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.666   1.401   1.932  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.033   1.219   2.615  1.00  0.00           H  
CONECT    1   25   17   16                                            
CONECT    2   28    7    7                                            
CONECT    3   25   36   37   38                                       
CONECT    4    5   25   11   39                                       
CONECT    5   27    4   26   26                                       
CONECT    6   10   10    7   27                                       
CONECT    7    2    2    6   40                                       
CONECT    8   31   28   28   10                                       
CONECT    9   30   29   29   41                                       
CONECT   10    8   29    6    6                                       
CONECT   11    4   24   24   14                                       
CONECT   12   22   22   13   42                                       
CONECT   13   14   14   12   43                                       
CONECT   14   11   16   13   13                                       
CONECT   15   16   16                                                 
CONECT   16    1   14   15   15                                       
CONECT   17   18    1   44   45                                       
CONECT   18   19   19   20   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   46                                            
CONECT   21   20   47   48   49                                       
CONECT   22   24   23   12   12                                       
CONECT   23   22                                                      
CONECT   24   11   11   22   50                                       
CONECT   25    4    3    1   51                                       
CONECT   26    5    5                                                 
CONECT   27    6    5   52                                            
CONECT   28    8    8    2   53                                       
CONECT   29    9    9   10   54                                       
CONECT   30   32   31   31    9                                       
CONECT   31   30   30    8   55                                       
CONECT   32   33   33   34   34                                       
CONECT   32   30   35                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35   32   56   57   58                                       
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   35                                                      
CONECT   57   35                                                      
CONECT   58   35                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
