COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -1.962   2.654   8.611  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.124   2.359   9.936  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.286   1.841  10.370  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.338   1.577   9.594  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.244   1.846   8.279  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.067   2.395   7.710  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.334   1.571  11.789  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.422   1.058  12.793  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.056   0.721  12.524  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.224   0.221  13.550  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.758   0.057  14.847  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.102   0.380  15.148  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.934   0.881  14.115  1.00  0.00           C  
HETATM   14  S   UNL     1       0.260  -0.562  16.103  1.00  0.00           S  
HETATM   15  N   UNL     1       1.892  -0.088  15.739  1.00  0.00           N  
HETATM   16  C   UNL     1       2.379   0.975  16.643  1.00  0.00           C  
HETATM   17  C   UNL     1       3.823   1.355  16.309  1.00  0.00           C  
HETATM   18  O   UNL     1       4.268   2.386  17.212  1.00  0.00           O  
HETATM   19  C   UNL     1       5.629   2.827  16.993  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.706   3.204   8.145  1.00  0.00           C  
HETATM   21  N   UNL     1       0.610   2.965   8.678  1.00  0.00           N  
HETATM   22  C   UNL     1       1.346   3.777   7.768  1.00  0.00           C  
HETATM   23  N   UNL     1       0.703   4.467   6.777  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.592   4.095   7.027  1.00  0.00           C  
HETATM   25  C   UNL     1       1.046   2.079   9.849  1.00  0.00           C  
HETATM   26  C   UNL     1       1.949   0.918   9.387  1.00  0.00           C  
HETATM   27  C   UNL     1       1.738   2.901  10.969  1.00  0.00           C  
HETATM   28  C   UNL     1       2.879   3.962   7.786  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.172   0.058  17.507  1.00  0.00           O  
HETATM   30  O   UNL     1       0.182  -2.151  16.141  1.00  0.00           O  
HETATM   31  H   UNL     1      -2.997   2.610   6.654  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.227   1.796  12.179  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.089   1.638   7.639  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.659   0.850  11.528  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.963   1.131  14.329  1.00  0.00           H  
HETATM   36  H   UNL     1       0.806  -0.032  13.346  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.488   0.247  16.148  1.00  0.00           H  
HETATM   38  H   UNL     1       2.485  -0.887  15.838  1.00  0.00           H  
HETATM   39  H   UNL     1       1.739   1.863  16.529  1.00  0.00           H  
HETATM   40  H   UNL     1       2.343   0.602  17.677  1.00  0.00           H  
HETATM   41  H   UNL     1       4.469   0.471  16.414  1.00  0.00           H  
HETATM   42  H   UNL     1       3.875   1.725  15.274  1.00  0.00           H  
HETATM   43  H   UNL     1       5.810   2.939  15.914  1.00  0.00           H  
HETATM   44  H   UNL     1       5.786   3.794  17.493  1.00  0.00           H  
HETATM   45  H   UNL     1       6.326   2.083  17.406  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.436   4.436   6.445  1.00  0.00           H  
HETATM   47  H   UNL     1       0.128   1.643  10.270  1.00  0.00           H  
HETATM   48  H   UNL     1       3.256   4.006   6.753  1.00  0.00           H  
HETATM   49  H   UNL     1       3.129   4.898   8.307  1.00  0.00           H  
HETATM   50  H   UNL     1       3.344   3.114   8.310  1.00  0.00           H  
HETATM   51  H   UNL     1       2.164   1.025   8.314  1.00  0.00           H  
HETATM   52  H   UNL     1       2.892   0.939   9.953  1.00  0.00           H  
HETATM   53  H   UNL     1       1.436  -0.038   9.564  1.00  0.00           H  
HETATM   54  H   UNL     1       1.902   2.260  11.847  1.00  0.00           H  
HETATM   55  H   UNL     1       2.705   3.276  10.604  1.00  0.00           H  
HETATM   56  H   UNL     1       1.097   3.750  11.250  1.00  0.00           H  
CONECT    1    2    6    6   20                                       
CONECT    2    1    3    3                                            
CONECT    3    2    2    4    7                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6   33                                       
CONECT    6    1    1    5   31                                       
CONECT    7    3    8   32                                            
CONECT    8    7    9   13   13                                       
CONECT    9    8   10   10   34                                       
CONECT   10    9    9   11   36                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   37                                       
CONECT   13    8    8   12   35                                       
CONECT   14   11   15   29   29                                       
CONECT   14   30   30                                                 
CONECT   15   14   16   38                                            
CONECT   16   15   17   39   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   17   19                                                 
CONECT   19   18   43   44   45                                       
CONECT   20    1   21   24   24                                       
CONECT   21   20   22   25                                            
CONECT   22   21   23   23   28                                       
CONECT   23   22   22   24                                            
CONECT   24   20   20   23   46                                       
CONECT   25   21   26   27   47                                       
CONECT   26   25   51   52   53                                       
CONECT   27   25   54   55   56                                       
CONECT   28   22   48   49   50                                       
CONECT   29   14   14                                                 
CONECT   30   14   14                                                 
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    5                                                      
CONECT   34    9                                                      
CONECT   35   13                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
