COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.630   0.849   1.329  1.00  0.00           N  
HETATM    2  C   UNL     1       2.766  -0.314   0.442  1.00  0.00           C  
HETATM    3  C   UNL     1       4.185  -0.875   0.550  1.00  0.00           C  
HETATM    4  C   UNL     1       5.168   0.141   0.029  1.00  0.00           C  
HETATM    5  C   UNL     1       5.514   0.144  -1.310  1.00  0.00           C  
HETATM    6  C   UNL     1       6.415   1.074  -1.790  1.00  0.00           C  
HETATM    7  C   UNL     1       6.973   2.007  -0.928  1.00  0.00           C  
HETATM    8  O   UNL     1       7.859   2.924  -1.398  1.00  0.00           O  
HETATM    9  C   UNL     1       6.624   2.002   0.415  1.00  0.00           C  
HETATM   10  C   UNL     1       5.719   1.073   0.889  1.00  0.00           C  
HETATM   11  C   UNL     1       1.774  -1.373   0.847  1.00  0.00           C  
HETATM   12  O   UNL     1       1.292  -1.359   1.959  1.00  0.00           O  
HETATM   13  N   UNL     1       1.423  -2.338  -0.027  1.00  0.00           N  
HETATM   14  S   UNL     1       0.333  -3.502   0.418  1.00  0.00           S  
HETATM   15  O   UNL     1       0.151  -4.337  -0.717  1.00  0.00           O  
HETATM   16  O   UNL     1       0.762  -3.991   1.682  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.998  -2.805   0.657  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.674  -2.417  -0.540  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.993  -1.730  -0.182  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.741  -0.443   0.424  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.969   0.300   0.263  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.457  -0.046  -1.161  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.881  -0.156  -1.191  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.800  -1.413  -1.461  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.798  -2.410  -1.683  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.714   1.738   0.379  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.435   2.485   1.270  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.199   3.810   1.377  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.205   4.401   0.559  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.975   5.594   0.638  1.00  0.00           O  
HETATM   31  N   UNL     1      -2.517   3.631  -0.306  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.769   2.311  -0.389  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.139   1.629  -1.174  1.00  0.00           O  
HETATM   34  H   UNL     1       1.722   1.277   1.228  1.00  0.00           H  
HETATM   35  H   UNL     1       2.804   0.593   2.289  1.00  0.00           H  
HETATM   36  H   UNL     1       2.573  -0.010  -0.587  1.00  0.00           H  
HETATM   37  H   UNL     1       4.410  -1.096   1.593  1.00  0.00           H  
HETATM   38  H   UNL     1       4.260  -1.789  -0.040  1.00  0.00           H  
HETATM   39  H   UNL     1       5.079  -0.582  -1.981  1.00  0.00           H  
HETATM   40  H   UNL     1       6.685   1.076  -2.836  1.00  0.00           H  
HETATM   41  H   UNL     1       7.451   3.745  -1.704  1.00  0.00           H  
HETATM   42  H   UNL     1       7.058   2.727   1.088  1.00  0.00           H  
HETATM   43  H   UNL     1       5.444   1.071   1.934  1.00  0.00           H  
HETATM   44  H   UNL     1       1.809  -2.349  -0.917  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.046  -1.727  -1.104  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.878  -3.300  -1.146  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.578  -2.359   0.489  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.704  -0.015   1.004  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.117   0.705  -1.875  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.241  -0.372  -2.062  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.136  -1.337  -2.322  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.335  -2.261  -2.474  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.189   2.017   1.885  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.761   4.412   2.076  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.834   4.028  -0.869  1.00  0.00           H  
CONECT    1    2   34   35                                            
CONECT    2    3   11    1   36                                       
CONECT    3    4    2   37   38                                       
CONECT    4    5    3   10   10                                       
CONECT    5    6    6    4   39                                       
CONECT    6    5    5    7   40                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   41                                                 
CONECT    9    7    7   10   42                                       
CONECT   10    4    4    9   43                                       
CONECT   11   13    2   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   44                                            
CONECT   14   17   13   16   16                                       
CONECT   14   15   15                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   18   14                                                 
CONECT   18   19   17   45   46                                       
CONECT   19   20   24   18   47                                       
CONECT   20   21   19                                                 
CONECT   21   20   26   22   48                                       
CONECT   22   21   23   24   49                                       
CONECT   23   22   50                                                 
CONECT   24   25   19   22   51                                       
CONECT   25   24   52                                                 
CONECT   26   32   21   27                                            
CONECT   27   26   28   28   53                                       
CONECT   28   29   27   27   54                                       
CONECT   29   31   30   30   28                                       
CONECT   30   29   29                                                 
CONECT   31   32   29   55                                            
CONECT   32   33   33   31   26                                       
CONECT   33   32   32                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
