COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.205   2.809   2.470  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.060   1.306   2.226  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.011  -0.203   0.719  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.244  -0.565  -0.360  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.183  -2.481   0.914  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.519  -1.286   1.408  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.596   0.331  -1.247  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.581   1.124  -2.397  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.292   1.541  -1.681  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.262  -0.502  -0.375  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.549  -1.003  -1.038  1.00  0.00           C  
HETATM   12  C   UNL     1       1.733   0.684  -0.817  1.00  0.00           C  
HETATM   13  C   UNL     1       2.096   2.021  -0.705  1.00  0.00           C  
HETATM   14  C   UNL     1       3.336   2.360  -0.198  1.00  0.00           C  
HETATM   15  C   UNL     1       4.218   1.373   0.198  1.00  0.00           C  
HETATM   16  C   UNL     1       3.861   0.035   0.087  1.00  0.00           C  
HETATM   17  C   UNL     1       2.616  -0.310  -0.420  1.00  0.00           C  
HETATM   18  C   UNL     1       5.164  -1.798  -0.661  1.00  0.00           C  
HETATM   19  C   UNL     1       5.359  -3.231  -0.131  1.00  0.00           C  
HETATM   20  C   UNL     1       5.004  -3.157   1.372  1.00  0.00           C  
HETATM   21  C   UNL     1       4.115  -1.890   1.456  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.294   0.157  -1.548  1.00  0.00           N  
HETATM   23  N   UNL     1       0.477   0.342  -1.324  1.00  0.00           N  
HETATM   24  N   UNL     1       4.753  -0.962   0.488  1.00  0.00           N  
HETATM   25  N   UNL     1       5.545   1.742   0.740  1.00  0.00           N1+
HETATM   26  O   UNL     1      -5.240   1.087   1.076  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.216   1.258  -1.736  1.00  0.00           O  
HETATM   28  O   UNL     1       6.360   0.874   0.997  1.00  0.00           O  
HETATM   29  O   UNL     1       5.822   2.913   0.928  1.00  0.00           O1-
HETATM   30  S   UNL     1      -4.194  -2.320  -0.466  1.00  0.00           S  
HETATM   31  H   UNL     1      -5.221   3.246   2.637  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.667   3.276   1.600  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.830   2.976   3.347  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.598   0.839   3.096  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.045   0.868   2.058  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.497  -3.425   1.333  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.143  -1.175   2.283  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.208   2.000  -2.561  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.338   0.662  -3.354  1.00  0.00           H  
HETATM   40  H   UNL     1       0.303   2.172  -2.341  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.541   2.096  -0.776  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.512   0.080   0.511  1.00  0.00           H  
HETATM   43  H   UNL     1       0.355  -1.354  -0.089  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.301  -1.671  -1.863  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.154  -1.537  -0.305  1.00  0.00           H  
HETATM   46  H   UNL     1       1.410   2.795  -1.014  1.00  0.00           H  
HETATM   47  H   UNL     1       3.616   3.400  -0.111  1.00  0.00           H  
HETATM   48  H   UNL     1       2.336  -1.349  -0.507  1.00  0.00           H  
HETATM   49  H   UNL     1       6.101  -1.425  -1.075  1.00  0.00           H  
HETATM   50  H   UNL     1       4.387  -1.788  -1.425  1.00  0.00           H  
HETATM   51  H   UNL     1       4.688  -3.919  -0.645  1.00  0.00           H  
HETATM   52  H   UNL     1       6.395  -3.544  -0.259  1.00  0.00           H  
HETATM   53  H   UNL     1       4.446  -4.041   1.681  1.00  0.00           H  
HETATM   54  H   UNL     1       5.903  -3.037   1.976  1.00  0.00           H  
HETATM   55  H   UNL     1       3.092  -2.117   1.154  1.00  0.00           H  
HETATM   56  H   UNL     1       4.134  -1.473   2.463  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1   26   34   35                                       
CONECT    3   26    4    4    6                                       
CONECT    4    7    3    3   30                                       
CONECT    5    6    6   30   36                                       
CONECT    6    3    5    5   37                                       
CONECT    7   27   27    4   22                                       
CONECT    8    9   22   38   39                                       
CONECT    9    8   23   40   41                                       
CONECT   10   23   11   42   43                                       
CONECT   11   22   10   44   45                                       
CONECT   12   23   17   17   13                                       
CONECT   13   12   14   14   46                                       
CONECT   14   13   13   15   47                                       
CONECT   15   16   16   14   25                                       
CONECT   16   17   24   15   15                                       
CONECT   17   12   12   16   48                                       
CONECT   18   19   24   49   50                                       
CONECT   19   18   20   51   52                                       
CONECT   20   19   21   53   54                                       
CONECT   21   24   20   55   56                                       
CONECT   22    7    8   11                                            
CONECT   23    9   10   12                                            
CONECT   24   18   16   21                                            
CONECT   25   15   28   28   29                                       
CONECT   26    2    3                                                 
CONECT   27    7    7                                                 
CONECT   28   25   25                                                 
CONECT   29   25                                                      
CONECT   30    4    5                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
