COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.174   0.405  -1.496  1.00  0.00           O  
HETATM    2  C   UNL     1       1.100   0.314  -2.129  1.00  0.00           C  
HETATM    3  C   UNL     1       1.008  -0.603  -3.350  1.00  0.00           C  
HETATM    4  C   UNL     1       0.008  -0.010  -4.349  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.317   0.244  -3.623  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.050   1.100  -2.382  1.00  0.00           C  
HETATM    7  N   UNL     1       3.244   0.717   2.045  1.00  0.00           N  
HETATM    8  C   UNL     1       1.790   0.844   2.281  1.00  0.00           C  
HETATM    9  C   UNL     1       1.130   0.225   1.024  1.00  0.00           C  
HETATM   10  C   UNL     1       2.098   0.684  -0.096  1.00  0.00           C  
HETATM   11  CA  UNL     1       3.480   0.635   0.589  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.372   1.387  -1.668  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.124   2.186  -0.510  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.215   0.932  -4.496  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.198  -0.929  -5.423  1.00  0.00           O  
HETATM   16  N   UNL     1       2.325  -0.712  -3.981  1.00  0.00           N  
HETATM   17  C   UNL     1       3.176  -1.686  -3.601  1.00  0.00           C  
HETATM   18  O   UNL     1       2.852  -2.471  -2.736  1.00  0.00           O  
HETATM   19  C   UNL     1       4.532  -1.798  -4.250  1.00  0.00           C  
HETATM   20  O   UNL     1       2.052  -0.216  -1.204  1.00  0.00           O  
HETATM   21  C   UNL     1       4.341   1.815   0.133  1.00  0.00           C  
HETATM   22  O   UNL     1       5.608   1.761   0.791  1.00  0.00           O  
HETATM   23  C   UNL     1       1.388   0.079   3.516  1.00  0.00           C  
HETATM   24  O   UNL     1       2.055  -0.861   3.890  1.00  0.00           O  
HETATM   25  N   UNL     1       0.288   0.442   4.205  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.102  -0.301   5.405  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.375   0.311   5.992  1.00  0.00           C  
HETATM   28  S   UNL     1      -1.859  -0.609   7.478  1.00  0.00           S  
HETATM   29  O   UNL     1      -2.336  -1.909   7.157  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.958  -0.380   8.553  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.120   0.109   7.936  1.00  0.00           O  
HETATM   32  S   UNL     1      -3.323  -0.049  -4.849  1.00  0.00           S  
HETATM   33  O   UNL     1      -4.145   0.620  -5.795  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.679  -1.298  -5.059  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.184  -0.230  -3.608  1.00  0.00           O  
HETATM   36  H   UNL     1       1.418   1.306  -2.447  1.00  0.00           H  
HETATM   37  H   UNL     1       0.670  -1.591  -3.039  1.00  0.00           H  
HETATM   38  H   UNL     1       0.397   0.929  -4.741  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.757  -0.706  -3.322  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.589   2.041  -2.684  1.00  0.00           H  
HETATM   41  H   UNL     1       3.665   1.580   2.356  1.00  0.00           H  
HETATM   42  H   UNL     1       1.512   1.894   2.378  1.00  0.00           H  
HETATM   43  H   UNL     1       0.131   0.632   0.868  1.00  0.00           H  
HETATM   44  H   UNL     1       1.101  -0.861   1.094  1.00  0.00           H  
HETATM   45  H   UNL     1       1.863   1.699  -0.417  1.00  0.00           H  
HETATM   46  HA  UNL     1       3.978  -0.303   0.346  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.040   1.923  -2.342  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.835   0.447  -1.369  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.980   2.343  -0.090  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.832  -0.516  -6.026  1.00  0.00           H  
HETATM   51  H   UNL     1       2.585  -0.084  -4.673  1.00  0.00           H  
HETATM   52  H   UNL     1       5.074  -2.638  -3.816  1.00  0.00           H  
HETATM   53  H   UNL     1       4.409  -1.959  -5.321  1.00  0.00           H  
HETATM   54  H   UNL     1       5.092  -0.878  -4.083  1.00  0.00           H  
HETATM   55  H1  UNL     1       4.489   1.761  -0.945  1.00  0.00           H  
HETATM   56  H2  UNL     1       3.840   2.749   0.386  1.00  0.00           H  
HETATM   57  H   UNL     1       6.119   2.520   0.477  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.244   1.195   3.906  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.287  -1.342   5.143  1.00  0.00           H  
HETATM   60  H   UNL     1       0.699  -0.248   6.142  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.190   1.352   6.254  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.177   0.258   5.255  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.426  -0.343   8.734  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.884  -0.855  -3.842  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3   20   36                                       
CONECT    3    2    4   16   37                                       
CONECT    4    3    5   15   38                                       
CONECT    5    4    6   14   39                                       
CONECT    6    1    5   12   40                                       
CONECT    7    8   11   41                                            
CONECT    8    7    9   23   42                                       
CONECT    9    8   10   43   44                                       
CONECT   10    9   11   20   45                                       
CONECT   11    7   10   21   46                                       
CONECT   12    6   13   47   48                                       
CONECT   13   12   49                                                 
CONECT   14    5   32                                                 
CONECT   15    4   50                                                 
CONECT   16    3   17   51                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   52   53   54                                       
CONECT   20    2   10                                                 
CONECT   21   11   22   55   56                                       
CONECT   22   21   57                                                 
CONECT   23    8   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   58                                            
CONECT   26   25   27   59   60                                       
CONECT   27   26   28   61   62                                       
CONECT   28   27   29   29   30                                       
CONECT   28   30   31                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   63                                                 
CONECT   32   14   33   33   34                                       
CONECT   32   34   35                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35   32   64                                                 
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   31                                                      
CONECT   64   35                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
