COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.988   2.104   0.417  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.433  -2.027  -0.470  1.00  0.00           C  
HETATM    3  C   UNL     1       2.298  -1.252  -0.456  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.698   0.219   0.768  1.00  0.00           N  
HETATM    5  C   UNL     1       3.461  -0.610   0.304  1.00  0.00           C  
HETATM    6  O   UNL     1       5.860   0.373   1.046  1.00  0.00           O  
HETATM    7  C   UNL     1      -7.846   0.859   0.833  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.724  -0.861   0.391  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.766  -2.093   0.278  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.491   2.500  -0.631  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.665   1.505  -0.483  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.717   2.139  -0.183  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.224  -2.513  -0.632  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.618   0.814   0.273  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.313   0.441   0.071  1.00  0.00           N  
HETATM   16  C   UNL     1       5.814  -0.103  -0.073  1.00  0.00           C  
HETATM   17  N   UNL     1       6.917  -0.112  -0.847  1.00  0.00           N  
HETATM   18  C   UNL     1       8.089   0.511  -0.403  1.00  0.00           C  
HETATM   19  C   UNL     1       8.420   0.490   0.945  1.00  0.00           C  
HETATM   20  C   UNL     1       9.577   1.106   1.380  1.00  0.00           C  
HETATM   21  C   UNL     1      10.406   1.742   0.475  1.00  0.00           C  
HETATM   22  C   UNL     1      10.079   1.765  -0.869  1.00  0.00           C  
HETATM   23  C   UNL     1       8.926   1.146  -1.311  1.00  0.00           C  
HETATM   24  N   UNL     1       4.660  -0.620  -0.538  1.00  0.00           N  
HETATM   25  S   UNL     1       0.814  -1.239   0.586  1.00  0.00           S  
HETATM   26  O   UNL     1      -2.285  -0.767   0.470  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.799  -2.872  -0.561  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.256  -4.023   0.152  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.957  -1.866  -0.766  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.964   2.780  -0.093  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.123   4.084  -0.527  1.00  0.00           N  
HETATM   32  H   UNL     1      -0.108  -3.036  -0.725  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.557  -1.444  -1.383  1.00  0.00           H  
HETATM   34  H   UNL     1       2.106  -0.688  -1.369  1.00  0.00           H  
HETATM   35  H   UNL     1       2.555  -2.280  -0.711  1.00  0.00           H  
HETATM   36  H   UNL     1       3.205   0.418   0.559  1.00  0.00           H  
HETATM   37  H   UNL     1       3.653  -1.173   1.217  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.705   0.346   1.242  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.135  -1.248   1.324  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.627  -2.583   1.241  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.621   1.520  -0.758  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.416  -3.151  -1.333  1.00  0.00           H  
HETATM   43  H   UNL     1       6.899  -0.551  -1.712  1.00  0.00           H  
HETATM   44  H   UNL     1       7.773  -0.007   1.653  1.00  0.00           H  
HETATM   45  H   UNL     1       9.835   1.090   2.429  1.00  0.00           H  
HETATM   46  H   UNL     1      11.310   2.224   0.817  1.00  0.00           H  
HETATM   47  H   UNL     1      10.730   2.260  -1.574  1.00  0.00           H  
HETATM   48  H   UNL     1       8.671   1.164  -2.360  1.00  0.00           H  
HETATM   49  H   UNL     1       4.623  -0.999  -1.430  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.370  -3.164  -1.519  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.908  -4.550  -0.329  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.875  -1.370  -1.733  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.368   4.567  -0.898  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.989   4.516  -0.459  1.00  0.00           H  
CONECT    1   30    7    7                                            
CONECT    2   25    9   32   33                                       
CONECT    3   25    5   34   35                                       
CONECT    4   14   14    7                                            
CONECT    5    3   24   36   37                                       
CONECT    6   16   16                                                 
CONECT    7    1    1    4   38                                       
CONECT    8   15   26   29   39                                       
CONECT    9    2   26   27   40                                       
CONECT   10   12   11   11                                            
CONECT   11   10   10   15   41                                       
CONECT   12   10   30   30   14                                       
CONECT   13   29   42                                                 
CONECT   14   12   15    4    4                                       
CONECT   15   11   14    8                                            
CONECT   16   17   24    6    6                                       
CONECT   17   18   16   43                                            
CONECT   18   23   17   19   19                                       
CONECT   19   18   18   20   44                                       
CONECT   20   21   21   19   45                                       
CONECT   21   22   20   20   46                                       
CONECT   22   23   23   21   47                                       
CONECT   23   22   22   18   48                                       
CONECT   24    5   16   49                                            
CONECT   25    2    3                                                 
CONECT   26    8    9                                                 
CONECT   27    9   29   28   50                                       
CONECT   28   27   51                                                 
CONECT   29    8   27   13   52                                       
CONECT   30   31   12   12    1                                       
CONECT   31   30   53   54                                            
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
