COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.485   4.335  -0.928  1.00  0.00           C  
HETATM    2  C   UNL     1       3.671   3.147  -0.453  1.00  0.00           C  
HETATM    3  C   UNL     1       4.171   2.121   0.246  1.00  0.00           C  
HETATM    4  C   UNL     1       5.632   2.016   0.655  1.00  0.00           C  
HETATM    5  C   UNL     1       6.452   2.987  -0.197  1.00  0.00           C  
HETATM    6  C   UNL     1       5.802   4.372  -0.148  1.00  0.00           C  
HETATM    7  S   UNL     1       1.953   2.927  -0.740  1.00  0.00           S  
HETATM    8  C   UNL     1       1.921   1.441   0.091  1.00  0.00           C  
HETATM    9  C   UNL     1       3.163   1.126   0.566  1.00  0.00           C  
HETATM   10  C   UNL     1       3.450  -0.096   1.324  1.00  0.00           C  
HETATM   11  O   UNL     1       3.353  -0.096   2.537  1.00  0.00           O  
HETATM   12  N   UNL     1       3.819  -1.219   0.677  1.00  0.00           N  
HETATM   13  C   UNL     1       4.106  -2.440   1.435  1.00  0.00           C  
HETATM   14  C   UNL     1       4.494  -3.542   0.483  1.00  0.00           C  
HETATM   15  C   UNL     1       5.820  -3.722   0.138  1.00  0.00           C  
HETATM   16  C   UNL     1       6.176  -4.733  -0.735  1.00  0.00           C  
HETATM   17  C   UNL     1       5.206  -5.564  -1.262  1.00  0.00           C  
HETATM   18  C   UNL     1       3.879  -5.385  -0.916  1.00  0.00           C  
HETATM   19  C   UNL     1       3.524  -4.377  -0.040  1.00  0.00           C  
HETATM   20  N   UNL     1       0.790   0.658   0.262  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.392   1.060  -0.248  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.465   2.106  -0.856  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.621   0.209  -0.061  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.770   0.860  -0.704  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.989   0.057  -0.543  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.161   0.767  -1.224  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.412  -0.057  -1.058  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.904  -0.947  -1.935  1.00  0.00           C  
HETATM   29  N   UNL     1      -8.054  -1.501  -1.441  1.00  0.00           N  
HETATM   30  C   UNL     1      -8.337  -0.967  -0.204  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.318  -0.044   0.092  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.342   0.655   1.301  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.354   0.435   2.192  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.360  -0.478   1.906  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.361  -1.172   0.716  1.00  0.00           C  
HETATM   36  H   UNL     1       4.694   4.232  -1.993  1.00  0.00           H  
HETATM   37  H   UNL     1       3.928   5.254  -0.750  1.00  0.00           H  
HETATM   38  H   UNL     1       5.736   2.276   1.708  1.00  0.00           H  
HETATM   39  H   UNL     1       5.985   0.998   0.491  1.00  0.00           H  
HETATM   40  H   UNL     1       7.468   3.047   0.195  1.00  0.00           H  
HETATM   41  H   UNL     1       6.479   2.634  -1.228  1.00  0.00           H  
HETATM   42  H   UNL     1       6.472   5.106  -0.598  1.00  0.00           H  
HETATM   43  H   UNL     1       5.604   4.646   0.888  1.00  0.00           H  
HETATM   44  H   UNL     1       3.896  -1.219  -0.290  1.00  0.00           H  
HETATM   45  H   UNL     1       4.925  -2.253   2.129  1.00  0.00           H  
HETATM   46  H   UNL     1       3.218  -2.737   1.993  1.00  0.00           H  
HETATM   47  H   UNL     1       6.578  -3.072   0.550  1.00  0.00           H  
HETATM   48  H   UNL     1       7.212  -4.873  -1.005  1.00  0.00           H  
HETATM   49  H   UNL     1       5.484  -6.354  -1.944  1.00  0.00           H  
HETATM   50  H   UNL     1       3.121  -6.035  -1.328  1.00  0.00           H  
HETATM   51  H   UNL     1       2.488  -4.239   0.234  1.00  0.00           H  
HETATM   52  H   UNL     1       0.848  -0.179   0.749  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.458  -0.769  -0.514  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.821   0.087   1.003  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.902   1.795  -0.347  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.842  -0.922  -0.999  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.206  -0.065   0.518  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.308   1.746  -0.768  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.945   0.889  -2.285  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.458  -1.189  -2.888  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.590  -2.169  -1.896  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.562   1.366   1.531  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.372   0.976   3.127  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.153  -0.641   2.620  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.147  -1.881   0.502  1.00  0.00           H  
CONECT    1    2    6   36   37                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4    9                                       
CONECT    4    3    5   38   39                                       
CONECT    5    4    6   40   41                                       
CONECT    6    1    5   42   43                                       
CONECT    7    2    8                                                 
CONECT    8    7    9    9   20                                       
CONECT    9    3    8    8   10                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   44                                            
CONECT   13   12   14   45   46                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   47                                       
CONECT   16   15   17   17   48                                       
CONECT   17   16   16   18   49                                       
CONECT   18   17   19   19   50                                       
CONECT   19   14   18   18   51                                       
CONECT   20    8   21   52                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   53   54                                       
CONECT   24   23   25   55                                            
CONECT   25   24   26   56   57                                       
CONECT   26   25   27   58   59                                       
CONECT   27   26   28   28   31                                       
CONECT   28   27   27   29   60                                       
CONECT   29   28   30   61                                            
CONECT   30   29   31   31   35                                       
CONECT   31   27   30   30   32                                       
CONECT   32   31   33   33   62                                       
CONECT   33   32   32   34   63                                       
CONECT   34   33   35   35   64                                       
CONECT   35   30   34   34   65                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
