COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.562  -1.721   1.653  1.00  0.00           C  
HETATM    2  C   UNL     1       9.185  -1.580  -1.701  1.00  0.00           C  
HETATM    3  C   UNL     1       9.335  -2.545   0.371  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.934   0.780  -0.793  1.00  0.00           C  
HETATM    5  C   UNL     1       1.906   2.002   0.390  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.316   1.091  -1.370  1.00  0.00           C  
HETATM    7  C   UNL     1       5.911  -0.936   0.052  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.792  -0.247  -0.014  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.957   1.810  -1.313  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.924   1.452   0.141  1.00  0.00           C  
HETATM   11  C   UNL     1       7.870  -2.528  -0.083  1.00  0.00           C  
HETATM   12  N   UNL     1       7.915  -1.891  -1.409  1.00  0.00           N  
HETATM   13  O   UNL     1       9.513  -1.041  -2.740  1.00  0.00           O  
HETATM   14  N   UNL     1      10.060  -1.916  -0.744  1.00  0.00           N  
HETATM   15  S   UNL     1       8.175  -0.513   1.615  1.00  0.00           S  
HETATM   16  C   UNL     1       6.976  -1.690   0.852  1.00  0.00           C  
HETATM   17  C   UNL     1       4.965  -0.215   1.015  1.00  0.00           C  
HETATM   18  C   UNL     1       3.901   0.539   0.215  1.00  0.00           C  
HETATM   19  C   UNL     1       2.955   1.259   1.178  1.00  0.00           C  
HETATM   20  O   UNL     1       1.915   1.959  -0.822  1.00  0.00           O  
HETATM   21  N   UNL     1       0.959   2.714   1.032  1.00  0.00           N  
HETATM   22  S   UNL     1      -0.193   3.530   0.167  1.00  0.00           S  
HETATM   23  O   UNL     1      -1.051   4.143   1.119  1.00  0.00           O  
HETATM   24  O   UNL     1       0.500   4.258  -0.837  1.00  0.00           O  
HETATM   25  N   UNL     1      -1.106   2.396  -0.624  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.029   2.923  -0.420  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.252   1.746  -0.512  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.071  -0.352  -0.881  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.201  -0.819  -0.074  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.675  -0.236   1.064  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.688  -0.913   1.521  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.928  -1.970   0.708  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.980  -1.919  -0.328  1.00  0.00           C  
HETATM   34  N   UNL     1      -7.005  -2.854  -1.272  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.905  -3.814  -1.242  1.00  0.00           C  
HETATM   36  N   UNL     1      -8.817  -3.901  -0.292  1.00  0.00           N  
HETATM   37  C   UNL     1      -8.865  -3.017   0.700  1.00  0.00           C  
HETATM   38  N   UNL     1      -9.825  -3.116   1.691  1.00  0.00           N  
HETATM   39  H   UNL     1       9.498  -2.355   2.537  1.00  0.00           H  
HETATM   40  H   UNL     1      10.522  -1.207   1.617  1.00  0.00           H  
HETATM   41  H   UNL     1       9.678  -3.569   0.515  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.422   0.296  -1.625  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.691   1.080  -2.393  1.00  0.00           H  
HETATM   44  H   UNL     1       6.394  -0.206  -0.598  1.00  0.00           H  
HETATM   45  H   UNL     1       5.344  -1.643  -0.554  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.284  -1.210   0.044  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.030   0.125   0.983  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.672   2.149  -2.310  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.457   1.987   0.927  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.282   0.694   0.588  1.00  0.00           H  
HETATM   51  H   UNL     1       7.486  -3.545  -0.160  1.00  0.00           H  
HETATM   52  H   UNL     1       7.149  -1.724  -1.979  1.00  0.00           H  
HETATM   53  H   UNL     1      11.018  -1.769  -0.781  1.00  0.00           H  
HETATM   54  H   UNL     1       6.512  -2.320   1.611  1.00  0.00           H  
HETATM   55  H   UNL     1       4.482  -0.945   1.664  1.00  0.00           H  
HETATM   56  H   UNL     1       5.532   0.491   1.620  1.00  0.00           H  
HETATM   57  H   UNL     1       4.383   1.268  -0.435  1.00  0.00           H  
HETATM   58  H   UNL     1       3.333  -0.168  -0.391  1.00  0.00           H  
HETATM   59  H   UNL     1       3.522   1.966   1.783  1.00  0.00           H  
HETATM   60  H   UNL     1       2.472   0.529   1.827  1.00  0.00           H  
HETATM   61  H   UNL     1       0.953   2.748   2.002  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.099   2.358  -1.593  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.656   3.607  -0.693  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.448   2.658  -0.767  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.904  -1.018  -1.727  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.269   0.655   1.519  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.897  -4.558  -2.025  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.857  -2.458   2.403  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.467  -3.844   1.674  1.00  0.00           H  
CONECT    1    3   15   39   40                                       
CONECT    2   12   13   13   14                                       
CONECT    3   11   14    1   41                                       
CONECT    4   10    9    8   42                                       
CONECT    5   21   20   20   19                                       
CONECT    6    9   28   27   43                                       
CONECT    7   17   16   44   45                                       
CONECT    8    4   28   46   47                                       
CONECT    9    4    6   26   48                                       
CONECT   10   25    4   49   50                                       
CONECT   11   12   16    3   51                                       
CONECT   12   11    2   52                                            
CONECT   13    2    2                                                 
CONECT   14    2    3   53                                            
CONECT   15   16    1                                                 
CONECT   16    7   11   15   54                                       
CONECT   17   18    7   55   56                                       
CONECT   18   19   17   57   58                                       
CONECT   19    5   18   59   60                                       
CONECT   20    5    5                                                 
CONECT   21   22    5   61                                            
CONECT   22   23   23   24   24                                       
CONECT   22   25   21                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   10   62                                            
CONECT   26    9   63                                                 
CONECT   27    6   64                                                 
CONECT   28    8    6   29   65                                       
CONECT   29   28   33   30                                            
CONECT   30   29   31   31   66                                       
CONECT   31   30   30   32                                            
CONECT   32   33   31   37   37                                       
CONECT   33   29   34   34   32                                       
CONECT   34   33   33   35                                            
CONECT   35   34   36   36   67                                       
CONECT   36   35   35   37                                            
CONECT   37   32   32   36   38                                       
CONECT   38   37   68   69                                            
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   35                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
