COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.382   0.278  -5.758  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.830   0.582  -4.521  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.649   0.950  -3.472  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.019   1.016  -3.653  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.571   0.714  -4.884  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.756   0.350  -5.938  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.578  -0.084  -6.791  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.315  -0.163  -6.298  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.448   0.911  -6.433  1.00  0.00           C  
HETATM   10  C   UNL     1       0.835   0.829  -5.931  1.00  0.00           C  
HETATM   11  C   UNL     1       1.257  -0.322  -5.293  1.00  0.00           C  
HETATM   12  C   UNL     1       0.397  -1.397  -5.161  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.889  -1.318  -5.657  1.00  0.00           C  
HETATM   14  S   UNL     1       2.895  -0.424  -4.653  1.00  0.00           S  
HETATM   15  O   UNL     1       3.654   0.531  -5.380  1.00  0.00           O  
HETATM   16  O   UNL     1       3.190  -1.812  -4.564  1.00  0.00           O  
HETATM   17  N   UNL     1       2.853   0.127  -3.092  1.00  0.00           N  
HETATM   18  C   UNL     1       2.009  -0.543  -2.101  1.00  0.00           C  
HETATM   19  C   UNL     1       2.152   0.159  -0.749  1.00  0.00           C  
HETATM   20  O   UNL     1       3.516   0.107  -0.327  1.00  0.00           O  
HETATM   21  C   UNL     1       1.270  -0.541   0.285  1.00  0.00           C  
HETATM   22  N   UNL     1       1.407   0.132   1.579  1.00  0.00           N  
HETATM   23  C   UNL     1       0.718  -0.314   2.648  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.015  -1.274   2.538  1.00  0.00           O  
HETATM   25  C   UNL     1       0.859   0.377   3.979  1.00  0.00           C  
HETATM   26  C   UNL     1       2.320   0.321   4.431  1.00  0.00           C  
HETATM   27  C   UNL     1       2.484   1.120   5.725  1.00  0.00           C  
HETATM   28  C   UNL     1       3.902   0.928   6.266  1.00  0.00           C  
HETATM   29  C   UNL     1       2.243   2.604   5.442  1.00  0.00           C  
HETATM   30  N   UNL     1       0.015  -0.293   4.970  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.821   0.428   5.742  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.935   1.624   5.561  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.601  -0.236   6.812  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.474   0.493   7.624  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.182  -0.166   8.609  1.00  0.00           C  
HETATM   36  N   UNL     1      -3.043  -1.465   8.788  1.00  0.00           N  
HETATM   37  C   UNL     1      -1.489  -1.612   7.033  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.231  -2.190   8.045  1.00  0.00           C  
HETATM   39  H   UNL     1      -1.761   0.530  -4.380  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.220   1.187  -2.510  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.658   1.305  -2.831  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.641   0.765  -5.022  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.188   0.114  -6.899  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.777   1.812  -6.931  1.00  0.00           H  
HETATM   45  H   UNL     1       1.511   1.665  -6.036  1.00  0.00           H  
HETATM   46  H   UNL     1       0.728  -2.296  -4.663  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.562  -2.156  -5.551  1.00  0.00           H  
HETATM   48  H   UNL     1       3.387   0.895  -2.835  1.00  0.00           H  
HETATM   49  H   UNL     1       2.319  -1.583  -2.004  1.00  0.00           H  
HETATM   50  H   UNL     1       0.968  -0.503  -2.423  1.00  0.00           H  
HETATM   51  H   UNL     1       1.841   1.199  -0.847  1.00  0.00           H  
HETATM   52  H   UNL     1       3.750  -0.828  -0.254  1.00  0.00           H  
HETATM   53  H   UNL     1       1.580  -1.581   0.382  1.00  0.00           H  
HETATM   54  H   UNL     1       0.229  -0.501  -0.036  1.00  0.00           H  
HETATM   55  H   UNL     1       1.994   0.899   1.667  1.00  0.00           H  
HETATM   56  H   UNL     1       0.549   1.418   3.881  1.00  0.00           H  
HETATM   57  H   UNL     1       2.956   0.749   3.656  1.00  0.00           H  
HETATM   58  H   UNL     1       2.606  -0.715   4.605  1.00  0.00           H  
HETATM   59  H   UNL     1       1.763   0.769   6.463  1.00  0.00           H  
HETATM   60  H   UNL     1       4.019   1.497   7.188  1.00  0.00           H  
HETATM   61  H   UNL     1       4.074  -0.128   6.468  1.00  0.00           H  
HETATM   62  H   UNL     1       4.623   1.279   5.528  1.00  0.00           H  
HETATM   63  H   UNL     1       2.908   2.935   4.645  1.00  0.00           H  
HETATM   64  H   UNL     1       1.207   2.752   5.136  1.00  0.00           H  
HETATM   65  H   UNL     1       2.441   3.183   6.344  1.00  0.00           H  
HETATM   66  H   UNL     1       0.058  -1.257   5.071  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.593   1.557   7.483  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.859   0.388   9.242  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.826  -2.212   6.428  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.148  -3.251   8.227  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   39                                       
CONECT    3    2    4    4   40                                       
CONECT    4    3    3    5   41                                       
CONECT    5    4    6    6   42                                       
CONECT    6    1    5    5   43                                       
CONECT    7    1    8                                                 
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   44                                       
CONECT   10    9   11   11   45                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   46                                       
CONECT   13    8   12   12   47                                       
CONECT   14   11   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18   48                                            
CONECT   18   17   19   49   50                                       
CONECT   19   18   20   21   51                                       
CONECT   20   19   52                                                 
CONECT   21   19   22   53   54                                       
CONECT   22   21   23   55                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   30   56                                       
CONECT   26   25   27   57   58                                       
CONECT   27   26   28   29   59                                       
CONECT   28   27   60   61   62                                       
CONECT   29   27   63   64   65                                       
CONECT   30   25   31   66                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   34   37                                       
CONECT   34   33   33   35   67                                       
CONECT   35   34   36   36   68                                       
CONECT   36   35   35   38                                            
CONECT   37   33   38   38   69                                       
CONECT   38   36   37   37   70                                       
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
