COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.206   0.807   1.112  1.00  0.00           C  
HETATM    2  C   UNL     1       4.457  -0.104  -1.122  1.00  0.00           C  
HETATM    3  C   UNL     1       3.159  -0.910  -0.993  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.949  -4.757   0.162  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.472  -5.942  -0.637  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.216   2.155   0.661  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.232   0.700   0.300  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.709   1.885   1.099  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.439   3.065  -0.366  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.942   3.005  -0.205  1.00  0.00           C  
HETATM   11  C   UNL     1       8.790   1.769  -0.114  1.00  0.00           C  
HETATM   12  C   UNL     1       2.898   0.039   1.332  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.198  -1.371   0.189  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.459  -2.377   0.344  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.819   0.374  -0.710  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.922   2.484   0.435  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.933   3.447  -0.497  1.00  0.00           O  
HETATM   18  N   UNL     1      -6.060   3.726  -0.835  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.153   0.003   0.707  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.689  -1.149  -0.070  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.201  -3.563  -0.241  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.061  -6.995  -0.037  1.00  0.00           N  
HETATM   23  O   UNL     1      -3.311  -2.297   1.204  1.00  0.00           O  
HETATM   24  S   UNL     1       0.729   0.106  -0.310  1.00  0.00           S  
HETATM   25  O   UNL     1       0.693   0.265  -1.721  1.00  0.00           O  
HETATM   26  O   UNL     1       0.437   1.194   0.557  1.00  0.00           O  
HETATM   27  N   UNL     1       2.308  -0.266   0.020  1.00  0.00           N  
HETATM   28  N   UNL     1       5.072   0.042   0.204  1.00  0.00           N  
HETATM   29  C   UNL     1       6.330   0.625   0.108  1.00  0.00           C  
HETATM   30  N   UNL     1       6.808   0.962  -1.080  1.00  0.00           N  
HETATM   31  C   UNL     1       7.997   1.518  -1.215  1.00  0.00           C  
HETATM   32  C   UNL     1       8.327   1.429   1.151  1.00  0.00           C  
HETATM   33  C   UNL     1       7.076   0.848   1.261  1.00  0.00           C  
HETATM   34  H   UNL     1       3.987   1.780   0.672  1.00  0.00           H  
HETATM   35  H   UNL     1       4.712   0.945   2.067  1.00  0.00           H  
HETATM   36  H   UNL     1       5.145  -0.627  -1.786  1.00  0.00           H  
HETATM   37  H   UNL     1       4.234   0.881  -1.530  1.00  0.00           H  
HETATM   38  H   UNL     1       2.641  -0.924  -1.952  1.00  0.00           H  
HETATM   39  H   UNL     1       3.390  -1.929  -0.683  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.012  -4.598  -0.022  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.788  -4.946   1.223  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.477  -5.903  -1.717  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.604   1.416   1.347  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.970   1.563   2.107  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.917   2.632   1.150  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.851   3.790   0.336  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.683   3.366  -1.384  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.866   2.082  -0.166  1.00  0.00           H  
HETATM   49  H   UNL     1       9.764   2.220  -0.235  1.00  0.00           H  
HETATM   50  H   UNL     1       3.104  -0.889   1.865  1.00  0.00           H  
HETATM   51  H   UNL     1       2.208   0.650   1.914  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.037  -1.560   1.250  1.00  0.00           H  
HETATM   53  H   UNL     1       0.147  -2.229  -0.389  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.684   0.264   1.515  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.850  -0.960  -1.131  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.519  -3.627  -0.928  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.754  -7.758  -0.552  1.00  0.00           H  
HETATM   58  H   UNL     1       8.354   1.780  -2.200  1.00  0.00           H  
HETATM   59  H   UNL     1       8.929   1.615   2.028  1.00  0.00           H  
HETATM   60  H   UNL     1       6.685   0.572   2.229  1.00  0.00           H  
CONECT    1   28   12   34   35                                       
CONECT    2   28    3   36   37                                       
CONECT    3    2   27   38   39                                       
CONECT    4    5   21   40   41                                       
CONECT    5   22   22    4   42                                       
CONECT    6   10   16   16   43                                       
CONECT    7   19   15   15    8                                       
CONECT    8    7   16   44   45                                       
CONECT    9   10   46   47   48                                       
CONECT   10    9   18   18    6                                       
CONECT   11   31   31   32   49                                       
CONECT   12    1   27   50   51                                       
CONECT   13   24   20   52   53                                       
CONECT   14   20   21   23   23                                       
CONECT   15    7    7                                                 
CONECT   16   17    6    6    8                                       
CONECT   17   18   16                                                 
CONECT   18   10   10   17                                            
CONECT   19   20    7   54                                            
CONECT   20   13   14   19   55                                       
CONECT   21   14    4   56                                            
CONECT   22    5    5   57                                            
CONECT   23   14   14                                                 
CONECT   24   25   25   26   26                                       
CONECT   24   27   13                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24    3   12                                            
CONECT   28    2   29    1                                            
CONECT   29   30   30   33   28                                       
CONECT   30   31   29   29                                            
CONECT   31   11   11   30   58                                       
CONECT   32   11   33   33   59                                       
CONECT   33   32   32   29   60                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
