COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.232  -2.154  -1.160  1.00  0.00           C  
HETATM    2  C   UNL     1       3.991   2.239   0.056  1.00  0.00           C  
HETATM    3  C   UNL     1       2.795   2.765  -0.740  1.00  0.00           C  
HETATM    4  C   UNL     1       4.209   2.890  -1.311  1.00  0.00           C  
HETATM    5  C   UNL     1       1.499   1.305   1.335  1.00  0.00           C  
HETATM    6  C   UNL     1       0.169   1.601   1.566  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.820   0.744   1.122  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.997  -0.173  -0.051  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.143   1.105   0.454  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.967   2.014  -0.191  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.977   4.155  -0.412  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.548  -3.415  -0.699  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.643   1.639  -1.343  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.495   0.360  -1.844  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.672  -0.545  -1.199  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.479  -0.418   0.441  1.00  0.00           C  
HETATM   17  C   UNL     1       0.855  -0.718   0.208  1.00  0.00           C  
HETATM   18  C   UNL     1       1.845   0.144   0.655  1.00  0.00           C  
HETATM   19  C   UNL     1       5.036  -1.328   0.153  1.00  0.00           C  
HETATM   20  C   UNL     1       5.338   0.042  -0.024  1.00  0.00           C  
HETATM   21  C   UNL     1       6.659   0.613  -0.334  1.00  0.00           C  
HETATM   22  C   UNL     1       4.161   0.744   0.149  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.480  -1.284  -0.007  1.00  0.00           N  
HETATM   24  N   UNL     1       3.194  -0.152   0.417  1.00  0.00           N  
HETATM   25  N   UNL     1       3.761  -1.432   0.409  1.00  0.00           N  
HETATM   26  O   UNL     1      -2.725  -0.816   2.072  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.222  -4.365  -1.590  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.292  -3.571   0.471  1.00  0.00           O  
HETATM   29  O   UNL     1       7.740  -0.189  -0.408  1.00  0.00           O  
HETATM   30  O   UNL     1       6.775   1.808  -0.523  1.00  0.00           O  
HETATM   31  O   UNL     1      -5.113   3.272   0.304  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.491  -2.615   0.515  1.00  0.00           O  
HETATM   33  S   UNL     1      -2.944  -1.327   0.764  1.00  0.00           S  
HETATM   34  H   UNL     1      -0.595  -1.636  -1.876  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.181  -2.408  -1.633  1.00  0.00           H  
HETATM   36  H   UNL     1       4.297   2.802   0.937  1.00  0.00           H  
HETATM   37  H   UNL     1       2.131   2.031  -1.196  1.00  0.00           H  
HETATM   38  H   UNL     1       2.315   3.676  -0.383  1.00  0.00           H  
HETATM   39  H   UNL     1       4.659   3.883  -1.329  1.00  0.00           H  
HETATM   40  H   UNL     1       4.476   2.238  -2.143  1.00  0.00           H  
HETATM   41  H   UNL     1       2.269   1.979   1.680  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.098   2.504   2.096  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.858   0.978   1.305  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.616   1.394   1.351  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.004   5.123   0.088  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.606   4.282  -1.429  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.982   3.734  -0.443  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.286   2.345  -1.847  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.021   0.067  -2.741  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.556  -1.544  -1.592  1.00  0.00           H  
HETATM   51  H   UNL     1       1.122  -1.621  -0.321  1.00  0.00           H  
HETATM   52  H   UNL     1       5.738  -2.146   0.083  1.00  0.00           H  
HETATM   53  H   UNL     1       0.216  -5.156  -1.247  1.00  0.00           H  
HETATM   54  H   UNL     1       8.585   0.232  -0.614  1.00  0.00           H  
CONECT    1   23   12   34   35                                       
CONECT    2    3    4   22   36                                       
CONECT    3    2    4   37   38                                       
CONECT    4    3    2   39   40                                       
CONECT    5    6   18   18   41                                       
CONECT    6    7    7    5   42                                       
CONECT    7    6    6   16   43                                       
CONECT    8   33   15   15    9                                       
CONECT    9    8   10   10   44                                       
CONECT   10    9    9   13   31                                       
CONECT   11   31   45   46   47                                       
CONECT   12   28   28    1   27                                       
CONECT   13   14   14   10   48                                       
CONECT   14   15   13   13   49                                       
CONECT   15    8    8   14   50                                       
CONECT   16    7   23   17   17                                       
CONECT   17   16   16   18   51                                       
CONECT   18    5    5   17   24                                       
CONECT   19   25   25   20   52                                       
CONECT   20   22   22   19   21                                       
CONECT   21   20   29   30   30                                       
CONECT   22   24    2   20   20                                       
CONECT   23   33   16    1                                            
CONECT   24   18   25   22                                            
CONECT   25   24   19   19                                            
CONECT   26   33   33                                                 
CONECT   27   12   53                                                 
CONECT   28   12   12                                                 
CONECT   29   21   54                                                 
CONECT   30   21   21                                                 
CONECT   31   10   11                                                 
CONECT   32   33   33                                                 
CONECT   33   26   26   32   32                                       
CONECT   33   23    8                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
