COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.580  28.773   8.069  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.465  29.798  10.610  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.674  30.674  10.788  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.390  28.564  11.268  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.439  27.955  12.184  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.323  31.201   9.500  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.059  32.263   8.901  1.00  0.00           C  
HETATM    8  C   UNL     1       0.334  30.919   9.005  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.263  29.910   9.901  1.00  0.00           C  
HETATM   10  C   UNL     1       0.434  28.737  10.168  1.00  0.00           C  
HETATM   11  C   UNL     1       0.646  33.106   8.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.829  29.584   6.905  1.00  0.00           C  
HETATM   13  C   UNL     1       2.066  31.300   7.362  1.00  0.00           C  
HETATM   14  N   UNL     1       1.378  30.503   8.234  1.00  0.00           N  
HETATM   15  C   UNL     1       4.584  23.868   7.749  1.00  0.00           C  
HETATM   16  C   UNL     1       4.857  29.199   6.027  1.00  0.00           C  
HETATM   17  C   UNL     1       5.639  28.053   6.275  1.00  0.00           C  
HETATM   18  C   UNL     1       5.401  27.270   7.412  1.00  0.00           C  
HETATM   19  O   UNL     1       7.507  26.277   8.510  1.00  0.00           O  
HETATM   20  S   UNL     1       6.372  25.875   7.703  1.00  0.00           S  
HETATM   21  O   UNL     1       6.832  25.328   6.447  1.00  0.00           O  
HETATM   22  N   UNL     1       5.452  24.648   8.596  1.00  0.00           N  
HETATM   23  C   UNL     1       4.362  27.627   8.317  1.00  0.00           C  
HETATM   24  N   UNL     1       3.080  30.747   6.646  1.00  0.00           N  
HETATM   25  N   UNL     1       1.673  32.592   7.277  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.278  27.956  10.997  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.932  32.145  10.642  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.878  32.647   9.492  1.00  0.00           H  
HETATM   29  H   UNL     1       3.331  31.239   5.812  1.00  0.00           H  
HETATM   30  H   UNL     1       0.368  34.144   7.892  1.00  0.00           H  
HETATM   31  H   UNL     1       5.051  29.792   5.146  1.00  0.00           H  
HETATM   32  H   UNL     1       2.791  29.044   8.755  1.00  0.00           H  
HETATM   33  H   UNL     1       6.424  27.778   5.586  1.00  0.00           H  
HETATM   34  H   UNL     1       4.173  27.021   9.191  1.00  0.00           H  
HETATM   35  H   UNL     1       6.101  24.028   9.037  1.00  0.00           H  
HETATM   36  H   UNL     1       3.639  23.669   8.275  1.00  0.00           H  
HETATM   37  H   UNL     1       4.378  24.425   6.823  1.00  0.00           H  
HETATM   38  H   UNL     1       5.073  22.914   7.502  1.00  0.00           H  
HETATM   39  H   UNL     1       1.406  28.490   9.767  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.851  30.050  11.676  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.010  27.808  13.186  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.304  28.631  12.251  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.762  26.985  11.778  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.005  31.154   8.448  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.228  30.986   8.913  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.549  32.825  11.248  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.329  33.061  10.733  1.00  0.00           H  
CONECT    1   12   12   23   32                                       
CONECT    2    9    4    3                                            
CONECT    3    2    6   27   40                                       
CONECT    4    2   26   26    5                                       
CONECT    5    4   41   42   43                                       
CONECT    6    3   27   44   45                                       
CONECT    7    8    8   11   28                                       
CONECT    8   14    7    7    9                                       
CONECT    9    8    2   10   10                                       
CONECT   10    9    9   26   39                                       
CONECT   11   25   25    7   30                                       
CONECT   12   24   16    1    1                                       
CONECT   13   14   14   25   24                                       
CONECT   14    8   13   13                                            
CONECT   15   22   36   37   38                                       
CONECT   16   12   17   17   31                                       
CONECT   17   16   16   18   33                                       
CONECT   18   17   23   23   20                                       
CONECT   19   20   20                                                 
CONECT   20   18   22   21   21                                       
CONECT   20   19   19                                                 
CONECT   21   20   20                                                 
CONECT   22   20   15   35                                            
CONECT   23   18   18    1   34                                       
CONECT   24   13   12   29                                            
CONECT   25   13   11   11                                            
CONECT   26    4    4   10                                            
CONECT   27    3    6   46   47                                       
CONECT   28    7                                                      
CONECT   29   24                                                      
CONECT   30   11                                                      
CONECT   31   16                                                      
CONECT   32    1                                                      
CONECT   33   17                                                      
CONECT   34   23                                                      
CONECT   35   22                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   10                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
