COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.843   3.219  22.224  1.00  0.00           C  
HETATM    2  C   UNL     1      11.237   3.306  23.699  1.00  0.00           C  
HETATM    3  C   UNL     1      12.250   2.194  23.981  1.00  0.00           C  
HETATM    4  N   UNL     1      11.817   4.643  23.995  1.00  0.00           N  
HETATM    5  S   UNL     1      11.342   5.467  25.370  1.00  0.00           S  
HETATM    6  O   UNL     1      12.391   6.457  25.784  1.00  0.00           O  
HETATM    7  O   UNL     1      10.092   6.235  25.078  1.00  0.00           O  
HETATM    8  C   UNL     1      11.132   4.347  26.728  1.00  0.00           C  
HETATM    9  C   UNL     1      12.299   3.809  27.289  1.00  0.00           C  
HETATM   10  C   UNL     1      12.238   2.914  28.356  1.00  0.00           C  
HETATM   11  C   UNL     1      10.994   2.553  28.863  1.00  0.00           C  
HETATM   12  C   UNL     1       9.827   3.094  28.306  1.00  0.00           C  
HETATM   13  C   UNL     1       9.869   3.987  27.230  1.00  0.00           C  
HETATM   14  N   UNL     1       8.739   4.515  26.699  1.00  0.00           N  
HETATM   15  C   UNL     1       7.504   3.959  26.649  1.00  0.00           C  
HETATM   16  N   UNL     1       7.199   2.768  27.217  1.00  0.00           N  
HETATM   17  C   UNL     1       6.486   4.645  25.987  1.00  0.00           C  
HETATM   18 CL   UNL     1       6.831   6.187  25.266  1.00  0.00          Cl  
HETATM   19  C   UNL     1       5.208   4.080  25.909  1.00  0.00           C  
HETATM   20  N   UNL     1       4.973   2.893  26.469  1.00  0.00           N  
HETATM   21  C   UNL     1       5.958   2.234  27.117  1.00  0.00           C  
HETATM   22  N   UNL     1       5.680   1.049  27.668  1.00  0.00           N  
HETATM   23  C   UNL     1       6.518   0.344  28.442  1.00  0.00           C  
HETATM   24  C   UNL     1       6.009  -0.205  29.622  1.00  0.00           C  
HETATM   25  C   UNL     1       6.844  -0.966  30.445  1.00  0.00           C  
HETATM   26  O   UNL     1       4.699   0.017  29.935  1.00  0.00           O  
HETATM   27  C   UNL     1       4.280  -0.436  31.236  1.00  0.00           C  
HETATM   28  C   UNL     1       7.861   0.101  28.093  1.00  0.00           C  
HETATM   29  C   UNL     1       8.694  -0.658  28.926  1.00  0.00           C  
HETATM   30  C   UNL     1       8.180  -1.204  30.113  1.00  0.00           C  
HETATM   31  N   UNL     1       8.921  -1.948  30.949  1.00  0.00           N  
HETATM   32  C   UNL     1      10.339  -2.301  30.813  1.00  0.00           C  
HETATM   33  C   UNL     1       8.399  -2.556  32.173  1.00  0.00           C  
HETATM   34  C   UNL     1       9.634  -2.813  33.027  1.00  0.00           C  
HETATM   35  C   UNL     1      10.763  -2.125  32.268  1.00  0.00           C  
HETATM   36  N   UNL     1      12.084  -2.715  32.626  1.00  0.00           N  
HETATM   37  C   UNL     1      12.705  -3.535  31.541  1.00  0.00           C  
HETATM   38  H   UNL     1       9.747   3.198  22.137  1.00  0.00           H  
HETATM   39  H   UNL     1      11.236   4.095  21.687  1.00  0.00           H  
HETATM   40  H   UNL     1      11.263   2.301  21.786  1.00  0.00           H  
HETATM   41  H   UNL     1      10.355   3.178  24.344  1.00  0.00           H  
HETATM   42  H   UNL     1      12.493   1.672  23.044  1.00  0.00           H  
HETATM   43  H   UNL     1      13.166   2.632  24.405  1.00  0.00           H  
HETATM   44  H   UNL     1      11.819   1.479  24.697  1.00  0.00           H  
HETATM   45  H   UNL     1      12.804   4.506  24.079  1.00  0.00           H  
HETATM   46  H   UNL     1      13.261   4.093  26.888  1.00  0.00           H  
HETATM   47  H   UNL     1      13.143   2.507  28.783  1.00  0.00           H  
HETATM   48  H   UNL     1      10.927   1.856  29.685  1.00  0.00           H  
HETATM   49  H   UNL     1       8.869   2.814  28.719  1.00  0.00           H  
HETATM   50  H   UNL     1       8.827   5.425  26.295  1.00  0.00           H  
HETATM   51  H   UNL     1       4.415   4.604  25.397  1.00  0.00           H  
HETATM   52  H   UNL     1       8.254   0.505  27.172  1.00  0.00           H  
HETATM   53  H   UNL     1       6.447  -1.380  31.360  1.00  0.00           H  
HETATM   54  H   UNL     1       9.196  -1.335  29.712  1.00  0.00           H  
HETATM   55  H   UNL     1       4.173  -1.531  31.227  1.00  0.00           H  
HETATM   56  H   UNL     1       5.033  -0.147  31.985  1.00  0.00           H  
HETATM   57  H   UNL     1       3.314   0.024  31.491  1.00  0.00           H  
HETATM   58  H   UNL     1       9.727  -0.822  28.656  1.00  0.00           H  
HETATM   59  H   UNL     1      10.497  -3.322  30.436  1.00  0.00           H  
HETATM   60  H   UNL     1      10.905  -1.706  30.081  1.00  0.00           H  
HETATM   61  H   UNL     1       7.696  -1.881  32.683  1.00  0.00           H  
HETATM   62  H   UNL     1       7.833  -3.477  31.972  1.00  0.00           H  
HETATM   63  H   UNL     1      10.909  -1.061  32.506  1.00  0.00           H  
HETATM   64  H   UNL     1       9.516  -2.391  34.036  1.00  0.00           H  
HETATM   65  H   UNL     1       9.823  -3.886  33.178  1.00  0.00           H  
HETATM   66  H   UNL     1      12.709  -1.964  32.839  1.00  0.00           H  
HETATM   67  H   UNL     1      12.858  -2.909  30.649  1.00  0.00           H  
HETATM   68  H   UNL     1      13.674  -3.925  31.885  1.00  0.00           H  
HETATM   69  H   UNL     1      12.040  -4.374  31.290  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1    3    4   41                                       
CONECT    3    2   42   43   44                                       
CONECT    4    2    5   45                                            
CONECT    5    4    6    6    7                                       
CONECT    5    7    8                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    5    9   13   13                                       
CONECT    9    8   10   10   46                                       
CONECT   10    9    9   11   47                                       
CONECT   11   10   12   12   48                                       
CONECT   12   11   11   13   49                                       
CONECT   13    8    8   12   14                                       
CONECT   14   13   15   50                                            
CONECT   15   14   16   17   17                                       
CONECT   16   15   21   21                                            
CONECT   17   15   15   18   19                                       
CONECT   18   17                                                      
CONECT   19   17   20   20   51                                       
CONECT   20   19   19   21                                            
CONECT   21   16   16   20   22                                       
CONECT   22   21   23   23                                            
CONECT   23   22   22   24   28                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24   30   53                                       
CONECT   26   24   27                                                 
CONECT   27   26   55   56   57                                       
CONECT   28   23   29   29   52                                       
CONECT   29   28   28   30   58                                       
CONECT   30   25   29   31   54                                       
CONECT   31   30   32   33                                            
CONECT   32   31   35   59   60                                       
CONECT   33   31   34   61   62                                       
CONECT   34   33   35   64   65                                       
CONECT   35   32   34   36   63                                       
CONECT   36   35   37   66                                            
CONECT   37   36   67   68   69                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   19                                                      
CONECT   52   28                                                      
CONECT   53   25                                                      
CONECT   54   30                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   29                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
