COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.961   2.543  -0.867  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.696   1.658   0.142  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.501   2.220   1.551  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.188   1.632  -0.195  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.134   0.236   0.078  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.664   0.262   0.409  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.120   1.313   0.671  1.00  0.00           O  
HETATM    8  N   UNL     1      -3.955  -0.884   0.415  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.486  -2.226   0.111  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.256  -3.043  -0.354  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.459  -4.442  -0.140  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.145  -2.493   0.579  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.521  -1.003   0.719  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.721  -0.176  -0.253  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.286   0.456  -1.120  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.377  -0.138  -0.159  1.00  0.00           N  
HETATM   17  C   UNL     1       0.402   0.667  -1.104  1.00  0.00           C  
HETATM   18  C   UNL     1       1.869   0.538  -0.784  1.00  0.00           C  
HETATM   19  C   UNL     1       2.459   1.419   0.105  1.00  0.00           C  
HETATM   20  C   UNL     1       3.802   1.307   0.402  1.00  0.00           C  
HETATM   21  C   UNL     1       2.618  -0.463  -1.375  1.00  0.00           C  
HETATM   22  C   UNL     1       3.961  -0.586  -1.086  1.00  0.00           C  
HETATM   23  C   UNL     1       4.564   0.302  -0.195  1.00  0.00           C  
HETATM   24  C   UNL     1       6.004   0.177   0.119  1.00  0.00           C  
HETATM   25  S   UNL     1       6.850  -1.312   0.534  1.00  0.00           S  
HETATM   26  C   UNL     1       8.316  -0.447   0.691  1.00  0.00           C  
HETATM   27  N   UNL     1       8.126   0.807   0.448  1.00  0.00           N  
HETATM   28  C   UNL     1       6.906   1.182   0.133  1.00  0.00           C  
HETATM   29  C   UNL     1       6.544   2.610  -0.180  1.00  0.00           C  
HETATM   30  H   UNL     1      -6.100   2.142  -1.871  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.361   3.555  -0.821  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.898   2.561  -0.627  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.902   3.233   1.597  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.025   1.589   2.270  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.438   2.238   1.791  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.327   1.231  -1.199  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.712   1.001   0.524  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.589   2.645  -0.149  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.658  -0.394   0.796  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.273  -0.165  -0.927  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.923  -2.672   1.004  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.227  -2.168  -0.687  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.024  -2.840  -1.400  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.207  -4.810  -0.629  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.171  -2.994   1.546  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.164  -2.601   0.116  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.329  -0.666   1.738  1.00  0.00           H  
HETATM   48  H   UNL     1       0.075  -0.643   0.535  1.00  0.00           H  
HETATM   49  H   UNL     1       0.219   0.313  -2.118  1.00  0.00           H  
HETATM   50  H   UNL     1       0.102   1.712  -1.024  1.00  0.00           H  
HETATM   51  H   UNL     1       1.868   2.196   0.567  1.00  0.00           H  
HETATM   52  H   UNL     1       4.262   1.996   1.096  1.00  0.00           H  
HETATM   53  H   UNL     1       2.150  -1.150  -2.064  1.00  0.00           H  
HETATM   54  H   UNL     1       4.544  -1.369  -1.548  1.00  0.00           H  
HETATM   55  H   UNL     1       9.266  -0.887   0.956  1.00  0.00           H  
HETATM   56  H   UNL     1       6.166   3.095   0.720  1.00  0.00           H  
HETATM   57  H   UNL     1       7.428   3.140  -0.534  1.00  0.00           H  
HETATM   58  H   UNL     1       5.775   2.629  -0.953  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3    5    4                                       
CONECT    3    2   33   34   35                                       
CONECT    4    2   36   37   38                                       
CONECT    5    2    6   39   40                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   13                                            
CONECT    9    8   10   41   42                                       
CONECT   10    9   11   12   43                                       
CONECT   11   10   44                                                 
CONECT   12   10   13   45   46                                       
CONECT   13    8   14   12   47                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   48                                            
CONECT   17   16   18   49   50                                       
CONECT   18   17   21   21   19                                       
CONECT   19   18   20   20   51                                       
CONECT   20   19   19   23   52                                       
CONECT   21   18   18   22   53                                       
CONECT   22   21   23   23   54                                       
CONECT   23   22   22   20   24                                       
CONECT   24   23   25   28   28                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   27   55                                       
CONECT   27   28   26   26                                            
CONECT   28   24   24   29   27                                       
CONECT   29   28   56   57   58                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   26                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
