COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.594   0.521  -1.723  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.739   1.400  -1.891  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.718  -1.281   0.097  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.582   1.624  -2.808  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.993   0.425  -1.275  1.00  0.00           N  
HETATM    6  O   UNL     1      -0.179   1.093   0.528  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.087   1.684  -3.193  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.073  -0.399   1.406  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.112   0.917  -2.091  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.721   0.579  -0.731  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.934  -0.535  -0.050  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.478  -0.482  -0.408  1.00  0.00           C  
HETATM   13  C   UNL     1       0.297   0.909  -0.572  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.506  -1.886  -0.482  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.816  -2.990   0.279  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.329  -3.420   1.488  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.696  -4.432   2.186  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.551  -5.013   1.675  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.039  -4.583   0.465  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.674  -3.575  -0.235  1.00  0.00           C  
HETATM   21  C   UNL     1       2.495   2.953   0.504  1.00  0.00           C  
HETATM   22  N   UNL     1       1.623   1.053  -0.765  1.00  0.00           N  
HETATM   23  O   UNL     1       3.340   3.322   1.596  1.00  0.00           O  
HETATM   24  C   UNL     1       2.489   1.431   0.355  1.00  0.00           C  
HETATM   25  C   UNL     1       3.913   0.939   0.086  1.00  0.00           C  
HETATM   26  C   UNL     1       5.353  -1.082  -0.207  1.00  0.00           C  
HETATM   27  N   UNL     1       5.367  -2.546  -0.231  1.00  0.00           N  
HETATM   28  C   UNL     1       3.929  -0.590   0.061  1.00  0.00           C  
HETATM   29  C   UNL     1       6.545  -3.218  -0.458  1.00  0.00           C  
HETATM   30  C   UNL     1       1.092   3.437   0.768  1.00  0.00           C  
HETATM   31  N   UNL     1       0.341   4.031  -0.096  1.00  0.00           N  
HETATM   32  S   UNL     1       0.264   3.272   2.255  1.00  0.00           S  
HETATM   33  C   UNL     1      -0.863   4.390   0.301  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.144   4.080   1.571  1.00  0.00           C  
HETATM   35  N   UNL     1       6.559  -4.521  -0.479  1.00  0.00           N  
HETATM   36  N   UNL     1       7.709  -2.516  -0.661  1.00  0.00           N  
HETATM   37  H   UNL     1      -0.268  -0.429  -2.148  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.245   2.575  -2.397  1.00  0.00           H  
HETATM   39  H   UNL     1       0.029   1.329  -3.661  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.332   0.919  -3.929  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.357   2.675  -3.558  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.562  -1.123   1.888  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.780   0.516   1.714  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.705   1.694  -2.574  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.097   0.025  -2.717  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.706   1.467  -0.100  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.753   0.255  -0.870  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.575  -1.913  -0.271  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.343  -2.025  -1.551  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.223  -2.966   1.888  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.097  -4.768   3.131  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.057  -5.804   2.220  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.144  -5.037   0.066  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.276  -3.242  -1.183  1.00  0.00           H  
HETATM   55  H   UNL     1       2.004   0.906  -1.644  1.00  0.00           H  
HETATM   56  H   UNL     1       2.116   0.977   1.273  1.00  0.00           H  
HETATM   57  H   UNL     1       4.254   1.322  -0.876  1.00  0.00           H  
HETATM   58  H   UNL     1       4.576   1.296   0.875  1.00  0.00           H  
HETATM   59  H   UNL     1       6.015  -0.724   0.581  1.00  0.00           H  
HETATM   60  H   UNL     1       5.694  -0.699  -1.169  1.00  0.00           H  
HETATM   61  H   UNL     1       4.546  -3.042  -0.088  1.00  0.00           H  
HETATM   62  H   UNL     1       3.588  -0.973   1.023  1.00  0.00           H  
HETATM   63  H   UNL     1       3.266  -0.947  -0.727  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.567   4.893  -0.347  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.071   4.285   2.085  1.00  0.00           H  
HETATM   66  H   UNL     1       7.390  -4.995  -0.639  1.00  0.00           H  
HETATM   67  H   UNL     1       7.700  -1.546  -0.645  1.00  0.00           H  
HETATM   68  H   UNL     1       8.541  -2.990  -0.820  1.00  0.00           H  
HETATM   69  H   UNL     1       2.869   3.407  -0.414  1.00  0.00           H  
HETATM   70  H   UNL     1       3.066   2.953   2.447  1.00  0.00           H  
CONECT    1    5   37    4   13                                       
CONECT    2    9    5    7                                            
CONECT    3   12   12                                                 
CONECT    4    1    7   38   39                                       
CONECT    5    1    2   12                                            
CONECT    6   13   13                                                 
CONECT    7    4    2   40   41                                       
CONECT    8   42   43   11                                            
CONECT    9    2   10   44   45                                       
CONECT   10    9   11   46   47                                       
CONECT   11   10    8   14   12                                       
CONECT   12    5    3    3   11                                       
CONECT   13    6    6   22    1                                       
CONECT   14   11   15   48   49                                       
CONECT   15   14   16   20   20                                       
CONECT   16   15   17   17   50                                       
CONECT   17   16   16   51   18                                       
CONECT   18   17   52   19   19                                       
CONECT   19   18   18   53   20                                       
CONECT   20   15   15   19   54                                       
CONECT   21   24   23   30   69                                       
CONECT   22   55   13   24                                            
CONECT   23   21   70                                                 
CONECT   24   21   22   25   56                                       
CONECT   25   24   28   57   58                                       
CONECT   26   27   59   60   28                                       
CONECT   27   26   29   61                                            
CONECT   28   25   26   62   63                                       
CONECT   29   27   35   35   36                                       
CONECT   30   21   31   31   32                                       
CONECT   31   30   30   33                                            
CONECT   32   30   34                                                 
CONECT   33   31   64   34   34                                       
CONECT   34   32   33   33   65                                       
CONECT   35   29   29   66                                            
CONECT   36   29   67   68                                            
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   21                                                      
CONECT   70   23                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
