COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.807  -3.055   0.584  1.00  0.00           C  
HETATM    2  C   UNL     1       4.109  -3.868   1.661  1.00  0.00           C  
HETATM    3  C   UNL     1       3.306  -4.953   1.955  1.00  0.00           C  
HETATM    4  C   UNL     1       2.200  -5.227   1.171  1.00  0.00           C  
HETATM    5  C   UNL     1       1.898  -4.415   0.094  1.00  0.00           C  
HETATM    6  C   UNL     1       2.698  -3.325  -0.196  1.00  0.00           C  
HETATM    7  S   UNL     1       2.313  -2.290  -1.568  1.00  0.00           S  
HETATM    8  O   UNL     1       3.527  -1.653  -1.943  1.00  0.00           O  
HETATM    9  O   UNL     1       1.542  -3.080  -2.463  1.00  0.00           O  
HETATM   10  N   UNL     1       1.310  -1.095  -1.015  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.125  -1.150  -1.306  1.00  0.00           C  
HETATM   12  C   UNL     1       1.837  -0.021  -0.261  1.00  0.00           C  
HETATM   13  C   UNL     1       3.211   0.035   0.037  1.00  0.00           C  
HETATM   14  O   UNL     1       3.960  -0.845  -0.354  1.00  0.00           O  
HETATM   15  N   UNL     1       3.694   1.066   0.757  1.00  0.00           N  
HETATM   16  C   UNL     1       2.876   2.041   1.192  1.00  0.00           C  
HETATM   17  O   UNL     1       3.334   2.963   1.839  1.00  0.00           O  
HETATM   18  N   UNL     1       1.558   2.013   0.921  1.00  0.00           N  
HETATM   19  C   UNL     1       0.691   3.089   1.409  1.00  0.00           C  
HETATM   20  C   UNL     1       0.720   4.238   0.433  1.00  0.00           C  
HETATM   21  C   UNL     1       1.723   5.185   0.510  1.00  0.00           C  
HETATM   22  C   UNL     1       1.749   6.238  -0.385  1.00  0.00           C  
HETATM   23  C   UNL     1       0.772   6.344  -1.357  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.231   5.396  -1.434  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.255   4.340  -0.542  1.00  0.00           C  
HETATM   26  C   UNL     1       1.020   0.982   0.185  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.327   0.957  -0.095  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.253   0.283   0.818  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.659   0.291   0.216  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.627  -0.412   1.170  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.974  -0.405   0.593  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.751  -1.491   0.379  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.623   0.638   0.209  1.00  0.00           N  
HETATM   34  N   UNL     1      -6.776   0.299  -0.249  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.902  -1.030  -0.163  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.093  -1.852  -0.585  1.00  0.00           C  
HETATM   37  N   UNL     1      -9.076  -1.884   0.506  1.00  0.00           N  
HETATM   38  H   UNL     1       4.435  -2.207   0.355  1.00  0.00           H  
HETATM   39  H   UNL     1       4.973  -3.654   2.273  1.00  0.00           H  
HETATM   40  H   UNL     1       3.542  -5.588   2.796  1.00  0.00           H  
HETATM   41  H   UNL     1       1.573  -6.076   1.400  1.00  0.00           H  
HETATM   42  H   UNL     1       1.032  -4.626  -0.515  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.650  -1.596  -0.462  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.500  -0.141  -1.476  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.292  -1.754  -2.198  1.00  0.00           H  
HETATM   46  H   UNL     1       4.641   1.106   0.963  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.329   2.719   1.504  1.00  0.00           H  
HETATM   48  H   UNL     1       1.047   3.430   2.381  1.00  0.00           H  
HETATM   49  H   UNL     1       2.487   5.102   1.269  1.00  0.00           H  
HETATM   50  H   UNL     1       2.533   6.979  -0.325  1.00  0.00           H  
HETATM   51  H   UNL     1       0.791   7.167  -2.055  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.995   5.479  -2.193  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.037   3.598  -0.605  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.663   1.386  -0.898  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.929  -0.747   0.970  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.264   0.805   1.775  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.984   1.321   0.064  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.648  -0.231  -0.741  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.303  -1.442   1.322  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.638   0.110   2.127  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.502  -2.520   0.595  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.546  -1.408  -1.470  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.771  -2.868  -0.812  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.343  -0.950   0.780  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.885  -2.429   0.248  1.00  0.00           H  
CONECT    1    6    2    2   38                                       
CONECT    2    1    1    3   39                                       
CONECT    3    4    4    2   40                                       
CONECT    4    5    3    3   41                                       
CONECT    5    6    6    4   42                                       
CONECT    6    7    5    5    1                                       
CONECT    7    8    8   10    9                                       
CONECT    7    9    6                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10   11    7   12                                            
CONECT   11   10   43   44   45                                       
CONECT   12   10   26   26   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   46                                            
CONECT   16   18   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   26   19   16                                            
CONECT   19   18   20   47   48                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   49                                       
CONECT   22   21   23   23   50                                       
CONECT   23   22   22   24   51                                       
CONECT   24   25   25   23   52                                       
CONECT   25   20   24   24   53                                       
CONECT   26   27   12   12   18                                       
CONECT   27   28   26   54                                            
CONECT   28   29   27   55   56                                       
CONECT   29   30   28   57   58                                       
CONECT   30   29   31   59   60                                       
CONECT   31   30   32   33                                            
CONECT   32   31   35   35   61                                       
CONECT   33   31   34   34                                            
CONECT   34   33   33   35                                            
CONECT   35   32   32   34   36                                       
CONECT   36   35   37   62   63                                       
CONECT   37   36   64   65                                            
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   15                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
