COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.933   0.787   0.166  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.645   2.527  -1.969  1.00  0.00           N  
HETATM    3  C   UNL     1       1.998  -0.275   1.258  1.00  0.00           C  
HETATM    4  C   UNL     1       0.968   0.593   0.582  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.209   0.891  -0.325  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.785   1.802  -1.270  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.945   2.433  -1.817  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.868   1.403  -0.688  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.113  -0.163   0.827  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.572  -0.942  -0.697  1.00  0.00           C  
HETATM   11  C   UNL     1       1.585  -2.666   0.622  1.00  0.00           C  
HETATM   12  C   UNL     1       3.486  -2.523  -1.407  1.00  0.00           C  
HETATM   13  C   UNL     1       3.224  -1.413  -0.608  1.00  0.00           C  
HETATM   14  C   UNL     1       3.936  -0.134  -0.818  1.00  0.00           C  
HETATM   15  O   UNL     1       4.516   0.083  -1.864  1.00  0.00           O  
HETATM   16  C   UNL     1       4.585   2.080  -0.057  1.00  0.00           C  
HETATM   17  C   UNL     1       5.993   2.032   0.478  1.00  0.00           C  
HETATM   18  O   UNL     1       6.441   0.992   0.912  1.00  0.00           O  
HETATM   19  N   UNL     1       6.754   3.144   0.474  1.00  0.00           N  
HETATM   20  C   UNL     1       8.123   3.097   0.994  1.00  0.00           C  
HETATM   21  C   UNL     1       2.802  -3.701  -1.182  1.00  0.00           C  
HETATM   22  C   UNL     1       1.847  -3.770  -0.174  1.00  0.00           C  
HETATM   23 CL   UNL     1       0.988  -5.254   0.098  1.00  0.00          Cl  
HETATM   24  C   UNL     1       2.265  -1.488   0.408  1.00  0.00           C  
HETATM   25  C   UNL     1       3.286   0.522   1.449  1.00  0.00           C  
HETATM   26  O   UNL     1       1.269   1.704   0.199  1.00  0.00           O  
HETATM   27  N   UNL     1      -0.287   0.135   0.403  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.596   0.740  -0.112  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.484   1.535  -0.882  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.462  -0.265   0.988  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.336   0.516   0.233  1.00  0.00           C  
HETATM   32  S   UNL     1      -7.073   0.352   0.473  1.00  0.00           S  
HETATM   33  O   UNL     1      -7.602   1.611   0.080  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.200  -0.111   1.811  1.00  0.00           O  
HETATM   35  H   UNL     1       1.620  -0.590   2.231  1.00  0.00           H  
HETATM   36  H   UNL     1       0.274   1.928  -1.443  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.603   3.048  -2.413  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.557   2.001  -1.266  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.447  -0.774   1.418  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.041  -1.865  -0.467  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.646  -1.111  -0.615  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.330  -0.626  -1.712  1.00  0.00           H  
HETATM   43  H   UNL     1       0.848  -2.730   1.409  1.00  0.00           H  
HETATM   44  H   UNL     1       4.218  -2.462  -2.198  1.00  0.00           H  
HETATM   45  H   UNL     1       4.609   2.295  -1.125  1.00  0.00           H  
HETATM   46  H   UNL     1       4.027   2.862   0.459  1.00  0.00           H  
HETATM   47  H   UNL     1       6.395   3.976   0.127  1.00  0.00           H  
HETATM   48  H   UNL     1       8.103   2.795   2.041  1.00  0.00           H  
HETATM   49  H   UNL     1       8.705   2.378   0.419  1.00  0.00           H  
HETATM   50  H   UNL     1       8.578   4.084   0.909  1.00  0.00           H  
HETATM   51  H   UNL     1       3.000  -4.565  -1.799  1.00  0.00           H  
HETATM   52  H   UNL     1       3.968  -0.046   2.082  1.00  0.00           H  
HETATM   53  H   UNL     1       3.053   1.469   1.934  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.550  -0.719   0.780  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.861  -0.961   1.711  1.00  0.00           H  
CONECT    1   25   16   14                                            
CONECT    2    7    6    6                                            
CONECT    3    4   25   24   35                                       
CONECT    4   27    3   26   26                                       
CONECT    5   28   28    6   27                                       
CONECT    6    2    2    5   36                                       
CONECT    7   29   29    2   37                                       
CONECT    8   31   31   29   38                                       
CONECT    9   30   30   28   39                                       
CONECT   10   32   40   41   42                                       
CONECT   11   24   24   22   43                                       
CONECT   12   13   13   21   44                                       
CONECT   13   24   14   12   12                                       
CONECT   14    1   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16    1   17   45   46                                       
CONECT   17   19   16   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   47                                            
CONECT   20   19   48   49   50                                       
CONECT   21   22   22   12   51                                       
CONECT   22   11   23   21   21                                       
CONECT   23   22                                                      
CONECT   24    3   11   11   13                                       
CONECT   25    3    1   52   53                                       
CONECT   26    4    4                                                 
CONECT   27    5    4   54                                            
CONECT   28   29    9    5    5                                       
CONECT   29    8    7    7   28                                       
CONECT   30   31    9    9   55                                       
CONECT   31   32    8    8   30                                       
CONECT   32   34   34   10   31                                       
CONECT   32   33   33                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
