COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.097  -0.220   0.658  1.00  0.00           C  
HETATM    2  C   UNL     1       1.257  -0.472   0.710  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.131  -0.650   0.872  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.487  -0.163   0.564  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.540  -0.926   0.128  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.602   1.041   0.159  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.981   2.301  -0.601  1.00  0.00           C  
HETATM    8  C   UNL     1      10.882   0.529  -3.113  1.00  0.00           C  
HETATM    9  C   UNL     1       9.096   0.435  -1.546  1.00  0.00           C  
HETATM   10  C   UNL     1       9.592   1.608  -0.997  1.00  0.00           C  
HETATM   11  C   UNL     1       8.958   2.187   0.085  1.00  0.00           C  
HETATM   12  C   UNL     1       7.825   1.595   0.623  1.00  0.00           C  
HETATM   13  C   UNL     1       7.767   3.372   2.203  1.00  0.00           C  
HETATM   14  C   UNL     1       7.328   0.423   0.074  1.00  0.00           C  
HETATM   15  C   UNL     1       4.848   0.421   0.049  1.00  0.00           C  
HETATM   16  C   UNL     1       3.617  -0.222   0.633  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000   0.022   0.394  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.938  -1.800   1.654  1.00  0.00           C  
HETATM   19  C   UNL     1       0.345  -2.219   1.924  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.823   3.654  -0.328  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.887   4.518  -0.493  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.109   4.039  -0.929  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.269   2.693  -1.202  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.209   1.822  -1.039  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.445  -2.387  -0.095  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.471  -3.229   0.335  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.377  -4.589   0.125  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.267  -5.119  -0.512  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.245  -4.287  -0.941  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.332  -2.925  -0.741  1.00  0.00           C  
HETATM   31  C   UNL     1       7.959  -0.153  -1.012  1.00  0.00           C  
HETATM   32  F   UNL     1      -3.180  -6.452  -0.715  1.00  0.00           F  
HETATM   33  N   UNL     1       2.394   0.185   0.241  1.00  0.00           N  
HETATM   34  N   UNL     1       1.389  -1.559   1.456  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.650  -0.233  -0.074  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.667   1.909   0.001  1.00  0.00           N  
HETATM   37  N   UNL     1      -6.905   1.424  -0.441  1.00  0.00           N  
HETATM   38  O   UNL     1       9.720  -0.135  -2.611  1.00  0.00           O  
HETATM   39  O   UNL     1       7.201   2.165   1.688  1.00  0.00           O  
HETATM   40  O   UNL     1       3.727  -1.106   1.456  1.00  0.00           O  
HETATM   41  S   UNL     1      -3.047   1.502   0.697  1.00  0.00           S  
HETATM   42  H   UNL     1       6.103  -1.287   0.435  1.00  0.00           H  
HETATM   43  H   UNL     1       6.089  -0.075   1.738  1.00  0.00           H  
HETATM   44  H   UNL     1      10.615   1.535  -3.434  1.00  0.00           H  
HETATM   45  H   UNL     1      11.636   0.585  -2.328  1.00  0.00           H  
HETATM   46  H   UNL     1      11.281  -0.029  -3.960  1.00  0.00           H  
HETATM   47  H   UNL     1      10.475   2.069  -1.415  1.00  0.00           H  
HETATM   48  H   UNL     1       9.345   3.100   0.513  1.00  0.00           H  
HETATM   49  H   UNL     1       8.790   3.183   2.529  1.00  0.00           H  
HETATM   50  H   UNL     1       7.769   4.134   1.423  1.00  0.00           H  
HETATM   51  H   UNL     1       7.174   3.720   3.048  1.00  0.00           H  
HETATM   52  H   UNL     1       4.842   1.488   0.272  1.00  0.00           H  
HETATM   53  H   UNL     1       4.856   0.276  -1.032  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.104   0.911  -0.211  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.785  -2.346   2.042  1.00  0.00           H  
HETATM   56  H   UNL     1       0.500  -3.102   2.526  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.870   4.029   0.013  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.766   5.570  -0.281  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.940   4.717  -1.057  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.225   2.321  -1.542  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.335   0.771  -1.253  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.336  -2.817   0.832  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.171  -5.242   0.458  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.381  -4.705  -1.436  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.535  -2.277  -1.076  1.00  0.00           H  
HETATM   66  H   UNL     1       7.569  -1.064  -1.442  1.00  0.00           H  
HETATM   67  H   UNL     1       2.304   0.935  -0.367  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.557   2.852   0.196  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.016   0.481  -0.636  1.00  0.00           H  
CONECT    1   15   14   42   43                                       
CONECT    2   17   33   34   34                                       
CONECT    3    4   17   17   18                                       
CONECT    4   41    5    5    3                                       
CONECT    5   35   25    4    4                                       
CONECT    6   36   35   35   41                                       
CONECT    7   20   37   24   24                                       
CONECT    8   38   44   45   46                                       
CONECT    9   31   31   10   38                                       
CONECT   10   11   11    9   47                                       
CONECT   11   12   10   10   48                                       
CONECT   12   39   14   14   11                                       
CONECT   13   39   49   50   51                                       
CONECT   14    1   12   12   31                                       
CONECT   15   16    1   52   53                                       
CONECT   16   40   40   33   15                                       
CONECT   17    3    3    2   54                                       
CONECT   18    3   19   19   55                                       
CONECT   19   18   18   34   56                                       
CONECT   20   21   21    7   57                                       
CONECT   21   20   20   22   58                                       
CONECT   22   21   23   23   59                                       
CONECT   23   22   22   24   60                                       
CONECT   24    7    7   23   61                                       
CONECT   25   30    5   26   26                                       
CONECT   26   25   25   27   62                                       
CONECT   27   28   28   26   63                                       
CONECT   28   29   32   27   27                                       
CONECT   29   30   30   28   64                                       
CONECT   30   29   29   25   65                                       
CONECT   31   14    9    9   66                                       
CONECT   32   28                                                      
CONECT   33   16    2   67                                            
CONECT   34    2    2   19                                            
CONECT   35    6    6    5                                            
CONECT   36   37    6   68                                            
CONECT   37    7   36   69                                            
CONECT   38    9    8                                                 
CONECT   39   13   12                                                 
CONECT   40   16   16                                                 
CONECT   41    6    4                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
