COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.281  -3.513   1.349  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.955  -1.077  -0.015  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.181  -1.690   0.078  1.00  0.00           C  
HETATM    4  C   UNL     1       0.346   5.996   0.319  1.00  0.00           C  
HETATM    5  N   UNL     1       0.641   1.132  -0.051  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.374  -2.609   0.118  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.671   1.319   0.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.130   3.608   0.032  1.00  0.00           C  
HETATM    9  N   UNL     1       2.527  -0.244  -0.151  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.922  -2.094   0.012  1.00  0.00           C  
HETATM   11  N   UNL     1       0.395  -1.171  -0.080  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.519   0.199   0.027  1.00  0.00           C  
HETATM   13  N   UNL     1       1.171   6.776   0.306  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.724   4.985   0.335  1.00  0.00           C  
HETATM   15  C   UNL     1       1.150  -0.094  -0.097  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.197   2.599   0.049  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.147   2.820  -1.050  1.00  0.00           C  
HETATM   18  S   UNL     1      -3.270   0.063   0.108  1.00  0.00           S  
HETATM   19  C   UNL     1      -4.398  -3.469  -1.147  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.656  -1.777   0.193  1.00  0.00           C  
HETATM   21  C   UNL     1       3.393   0.938  -0.157  1.00  0.00           C  
HETATM   22  C   UNL     1       3.116  -1.584  -0.202  1.00  0.00           C  
HETATM   23  C   UNL     1       4.123  -1.772   0.953  1.00  0.00           C  
HETATM   24  N   UNL     1       5.221  -2.582   0.365  1.00  0.00           N  
HETATM   25  C   UNL     1       6.458  -2.437   1.144  1.00  0.00           C  
HETATM   26  C   UNL     1       5.386  -2.032  -1.005  1.00  0.00           C  
HETATM   27  C   UNL     1       3.947  -1.755  -1.490  1.00  0.00           C  
HETATM   28  H   UNL     1      -4.264  -2.900   2.250  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.144  -4.178   1.378  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.368  -4.106   1.295  1.00  0.00           H  
HETATM   31  H   UNL     1       0.340   3.624  -0.951  1.00  0.00           H  
HETATM   32  H   UNL     1       0.616   3.360   0.787  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.194   4.969   1.319  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.470   5.233  -0.420  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.621   2.756  -2.003  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.927   2.059  -1.014  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.598   3.807  -0.948  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.262  -4.134  -1.118  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.465  -2.825  -2.023  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.485  -4.062  -1.200  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.639  -1.164   1.094  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.723  -1.132  -0.684  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.520  -2.441   0.222  1.00  0.00           H  
HETATM   44  H   UNL     1       3.646   1.208   0.868  1.00  0.00           H  
HETATM   45  H   UNL     1       4.306   0.716  -0.709  1.00  0.00           H  
HETATM   46  H   UNL     1       2.872   1.768  -0.634  1.00  0.00           H  
HETATM   47  H   UNL     1       2.335  -2.343  -0.152  1.00  0.00           H  
HETATM   48  H   UNL     1       4.501  -0.806   1.288  1.00  0.00           H  
HETATM   49  H   UNL     1       3.657  -2.306   1.781  1.00  0.00           H  
HETATM   50  H   UNL     1       6.285  -2.772   2.167  1.00  0.00           H  
HETATM   51  H   UNL     1       7.245  -3.040   0.692  1.00  0.00           H  
HETATM   52  H   UNL     1       6.761  -1.390   1.152  1.00  0.00           H  
HETATM   53  H   UNL     1       5.962  -1.107  -0.976  1.00  0.00           H  
HETATM   54  H   UNL     1       5.874  -2.762  -1.651  1.00  0.00           H  
HETATM   55  H   UNL     1       3.575  -2.599  -2.071  1.00  0.00           H  
HETATM   56  H   UNL     1       3.917  -0.842  -2.084  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.656  -3.141  -0.019  1.00  0.00           H  
CONECT    1    6   28   29   30                                       
CONECT    2   12   12   11   10                                       
CONECT    3   18   10   10    6                                       
CONECT    4   13   13   13   14                                       
CONECT    5    7    7   15                                            
CONECT    6   20    3    1   19                                       
CONECT    7   16    5    5   12                                       
CONECT    8   16   14   31   32                                       
CONECT    9   22   15   21                                            
CONECT   10    2    3    3   57                                       
CONECT   11   15   15    2                                            
CONECT   12    7   18    2    2                                       
CONECT   13    4    4    4                                            
CONECT   14    4    8   33   34                                       
CONECT   15    5    9   11   11                                       
CONECT   16   17    8    7                                            
CONECT   17   16   35   36   37                                       
CONECT   18   12    3                                                 
CONECT   19    6   38   39   40                                       
CONECT   20    6   41   42   43                                       
CONECT   21    9   44   45   46                                       
CONECT   22   23   27    9   47                                       
CONECT   23   24   22   48   49                                       
CONECT   24   25   23   26                                            
CONECT   25   24   50   51   52                                       
CONECT   26   24   27   53   54                                       
CONECT   27   22   26   55   56                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   10                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
