COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.792  -1.543   0.915  1.00  0.00           N  
HETATM    2  C   UNL     1       6.984  -1.234   0.366  1.00  0.00           C  
HETATM    3  C   UNL     1       9.321  -1.650  -0.282  1.00  0.00           C  
HETATM    4  C   UNL     1      10.619  -1.275  -2.259  1.00  0.00           C  
HETATM    5  C   UNL     1      10.247  -0.940   0.460  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.992   0.768  -0.987  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.083  -0.353  -0.914  1.00  0.00           C  
HETATM    8  C   UNL     1       0.005   3.283   1.588  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.269   2.458   1.394  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.632   2.443  -0.028  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.581   1.813  -0.838  1.00  0.00           C  
HETATM   12  C   UNL     1       0.714   2.618  -0.711  1.00  0.00           C  
HETATM   13  C   UNL     1       1.136   2.667   0.760  1.00  0.00           C  
HETATM   14  N   UNL     1       1.408   1.309   1.237  1.00  0.00           N  
HETATM   15  C   UNL     1       2.661   0.742   1.040  1.00  0.00           C  
HETATM   16  N   UNL     1       3.663   1.318   0.452  1.00  0.00           N  
HETATM   17  N   UNL     1       4.815   0.567   0.367  1.00  0.00           N  
HETATM   18  C   UNL     1       4.752  -0.618   0.887  1.00  0.00           C  
HETATM   19  C   UNL     1       8.108  -2.238   0.391  1.00  0.00           C  
HETATM   20  C   UNL     1       9.505  -1.814  -1.642  1.00  0.00           C  
HETATM   21  C   UNL     1      11.547  -0.571  -1.516  1.00  0.00           C  
HETATM   22  C   UNL     1      11.360  -0.401  -0.157  1.00  0.00           C  
HETATM   23  O   UNL     1       7.152  -0.148  -0.147  1.00  0.00           O  
HETATM   24  S   UNL     1       3.144  -0.870   1.558  1.00  0.00           S  
HETATM   25  C   UNL     1      -2.855   1.813  -0.223  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.594   1.301   0.711  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.772   0.725   0.289  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.115   0.254  -1.629  1.00  0.00           N  
HETATM   29  C   UNL     1      -8.299  -0.909  -1.609  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.220  -1.530  -0.591  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.200  -0.765   0.012  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.045  -1.335   0.946  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.909  -2.671   1.277  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.929  -3.436   0.673  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.087  -2.867  -0.265  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.975  -0.452   0.290  1.00  0.00           O  
HETATM   37  S   UNL     1      -3.648   1.584  -1.778  1.00  0.00           S  
HETATM   38  H   UNL     1       5.658  -2.411   1.325  1.00  0.00           H  
HETATM   39  H   UNL     1      10.763  -1.404  -3.321  1.00  0.00           H  
HETATM   40  H   UNL     1      10.101  -0.808   1.522  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.171   4.307   1.259  1.00  0.00           H  
HETATM   42  H   UNL     1       0.283   3.281   2.642  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.097   1.438   1.736  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.080   2.902   1.971  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.412   0.795  -0.486  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.893   1.789  -1.882  1.00  0.00           H  
HETATM   47  H   UNL     1       1.498   2.142  -1.299  1.00  0.00           H  
HETATM   48  H   UNL     1       0.549   3.632  -1.077  1.00  0.00           H  
HETATM   49  H   UNL     1       2.035   3.276   0.861  1.00  0.00           H  
HETATM   50  H   UNL     1       0.714   0.805   1.689  1.00  0.00           H  
HETATM   51  H   UNL     1       8.350  -2.487   1.424  1.00  0.00           H  
HETATM   52  H   UNL     1       7.801  -3.140  -0.138  1.00  0.00           H  
HETATM   53  H   UNL     1       8.780  -2.365  -2.222  1.00  0.00           H  
HETATM   54  H   UNL     1      12.417  -0.149  -1.998  1.00  0.00           H  
HETATM   55  H   UNL     1      12.086   0.150   0.424  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.202   0.333  -2.592  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.820  -0.104  -2.128  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.990  -1.666  -2.330  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.306   0.278  -0.246  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.811  -0.738   1.418  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.569  -3.116   2.007  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.822  -4.479   0.932  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.321  -3.465  -0.736  1.00  0.00           H  
CONECT    1   18    2   38                                            
CONECT    2   23   23    1   19                                       
CONECT    3   20   19    5    5                                       
CONECT    4   20   20   21   39                                       
CONECT    5    3    3   22   40                                       
CONECT    6   27   27   28   37                                       
CONECT    7   28   29   36   36                                       
CONECT    8    9   13   41   42                                       
CONECT    9    8   10   43   44                                       
CONECT   10   25    9   11                                            
CONECT   11   12   10   45   46                                       
CONECT   12   13   11   47   48                                       
CONECT   13    8   14   12   49                                       
CONECT   14   13   15   50                                            
CONECT   15   14   24   16   16                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   18                                            
CONECT   18   24   17   17    1                                       
CONECT   19    2    3   51   52                                       
CONECT   20    4    4    3   53                                       
CONECT   21    4   22   22   54                                       
CONECT   22   21   21    5   55                                       
CONECT   23    2    2                                                 
CONECT   24   15   18                                                 
CONECT   25   26   26   37   10                                       
CONECT   26   27   25   25                                            
CONECT   27    6    6   26                                            
CONECT   28    6    7   56                                            
CONECT   29   30    7   57   58                                       
CONECT   30   35   29   31   31                                       
CONECT   31   30   30   32   59                                       
CONECT   32   33   33   31   60                                       
CONECT   33   34   32   32   61                                       
CONECT   34   35   35   33   62                                       
CONECT   35   34   34   30   63                                       
CONECT   36    7    7                                                 
CONECT   37    6   25                                                 
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
