COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.413  -5.195  33.100  1.00  0.00           C  
HETATM    2  C   UNL     1       5.242  -4.360  33.890  1.00  0.00           C  
HETATM    3  C   UNL     1       4.698  -3.639  34.980  1.00  0.00           C  
HETATM    4  C   UNL     1       3.321  -3.745  35.288  1.00  0.00           C  
HETATM    5  C   UNL     1       2.488  -4.580  34.498  1.00  0.00           C  
HETATM    6  C   UNL     1       3.036  -5.316  33.394  1.00  0.00           C  
HETATM    7  C   UNL     1       2.170  -6.227  32.507  1.00  0.00           C  
HETATM    8  C   UNL     1       1.462  -7.367  33.260  1.00  0.00           C  
HETATM    9  N   UNL     1       1.128  -5.432  31.829  1.00  0.00           N  
HETATM   10  C   UNL     1       1.156  -5.118  30.515  1.00  0.00           C  
HETATM   11  O   UNL     1       2.081  -5.499  29.799  1.00  0.00           O  
HETATM   12  C   UNL     1       0.027  -4.264  29.999  1.00  0.00           C  
HETATM   13  C   UNL     1       0.242  -3.343  28.916  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.823  -2.498  28.421  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.097  -2.613  29.044  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.329  -3.525  30.121  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.259  -4.325  30.569  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.584  -1.581  27.291  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.678  -0.621  26.926  1.00  0.00           C  
HETATM   20  S   UNL     1       0.957  -0.719  27.297  1.00  0.00           S  
HETATM   21  O   UNL     1       0.776   0.712  26.708  1.00  0.00           O  
HETATM   22  O   UNL     1       1.584  -0.590  28.742  1.00  0.00           O  
HETATM   23  C   UNL     1       2.088  -1.563  26.176  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.683  -3.604  30.733  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.701  -3.616  30.004  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.751  -3.681  32.104  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.946  -4.149  32.894  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.581  -5.503  33.611  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.767  -6.594  32.893  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.052  -6.960  31.549  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.291  -7.985  30.912  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.257  -8.638  31.616  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.961  -8.276  32.966  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.717  -7.255  33.599  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.379  -3.187  34.045  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.681  -3.444  34.529  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.309  -1.689  33.764  1.00  0.00           C  
HETATM   38  N   UNL     1      -6.057  -1.129  32.636  1.00  0.00           N  
HETATM   39  C   UNL     1      -7.250  -0.262  32.922  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.512  -0.924  32.368  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.279  -1.751  33.213  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.418  -2.419  32.741  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.799  -2.253  31.380  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.048  -1.426  30.515  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.893  -0.757  31.010  1.00  0.00           C  
HETATM   46  O   UNL     1     -11.212  -3.259  33.501  1.00  0.00           O  
HETATM   47  C   UNL     1     -11.902  -2.836  34.688  1.00  0.00           C  
HETATM   48  H   UNL     1       4.835  -5.741  32.270  1.00  0.00           H  
HETATM   49  H   UNL     1       6.293  -4.273  33.659  1.00  0.00           H  
HETATM   50  H   UNL     1       5.336  -3.006  35.579  1.00  0.00           H  
HETATM   51  H   UNL     1       2.906  -3.194  36.119  1.00  0.00           H  
HETATM   52  H   UNL     1       1.436  -4.662  34.729  1.00  0.00           H  
HETATM   53  H   UNL     1       2.876  -6.683  31.798  1.00  0.00           H  
HETATM   54  H   UNL     1       1.293  -8.210  32.575  1.00  0.00           H  
HETATM   55  H   UNL     1       2.091  -7.698  34.100  1.00  0.00           H  
HETATM   56  H   UNL     1       0.496  -7.008  33.644  1.00  0.00           H  
HETATM   57  H   UNL     1       0.356  -5.106  32.374  1.00  0.00           H  
HETATM   58  H   UNL     1       1.220  -3.281  28.462  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.433  -5.013  31.383  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.911  -1.995  28.694  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.274  -0.386  27.820  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.236   0.304  26.527  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.326  -1.077  26.163  1.00  0.00           H  
HETATM   64  H   UNL     1       1.589  -1.735  25.211  1.00  0.00           H  
HETATM   65  H   UNL     1       2.982  -0.941  26.020  1.00  0.00           H  
HETATM   66  H   UNL     1       2.384  -2.528  26.612  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.940  -3.404  32.620  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.764  -4.222  32.162  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.988  -5.222  34.494  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.562  -5.980  33.751  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.607  -3.424  34.792  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.845  -6.462  31.010  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.497  -6.977  34.619  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.506  -8.261  29.890  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.686  -9.416  31.131  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.167  -8.776  33.501  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.661  -3.502  35.477  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.692  -1.189  34.666  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.256  -1.521  33.492  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.413  -0.565  32.120  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.354  -0.130  34.009  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.112   0.718  32.442  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.984  -1.873  34.245  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.309  -0.126  30.356  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.672  -2.765  31.004  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.348  -1.302  29.485  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.182  -2.728  35.513  1.00  0.00           H  
HETATM   88  H   UNL     1     -12.393  -1.870  34.502  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.659  -3.587  34.959  1.00  0.00           H  
CONECT    1    2    6    6   48                                       
CONECT    2    1    3    3   49                                       
CONECT    3    2    2    4   50                                       
CONECT    4    3    5    5   51                                       
CONECT    5    4    4    6   52                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8    9   53                                       
CONECT    8    7   54   55   56                                       
CONECT    9    7   10   57                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   17   17                                       
CONECT   13   12   14   14   58                                       
CONECT   14   13   13   15   18                                       
CONECT   15   14   16   16   60                                       
CONECT   16   15   15   17   24                                       
CONECT   17   12   12   16   59                                       
CONECT   18   14   19   20                                            
CONECT   19   18   61   62   63                                       
CONECT   20   18   21   21   22                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   64   65   66                                       
CONECT   24   16   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   67                                            
CONECT   27   26   28   35   68                                       
CONECT   28   27   29   69   70                                       
CONECT   29   28   30   34   34                                       
CONECT   30   29   31   31   72                                       
CONECT   31   30   30   32   74                                       
CONECT   32   31   33   33   75                                       
CONECT   33   32   32   34   76                                       
CONECT   34   29   29   33   73                                       
CONECT   35   27   36   37   71                                       
CONECT   36   35   77                                                 
CONECT   37   35   38   78   79                                       
CONECT   38   37   39   80                                            
CONECT   39   38   40   81   82                                       
CONECT   40   39   41   45   45                                       
CONECT   41   40   42   42   83                                       
CONECT   42   41   41   43   46                                       
CONECT   43   42   44   44   85                                       
CONECT   44   43   43   45   86                                       
CONECT   45   40   40   44   84                                       
CONECT   46   42   47                                                 
CONECT   47   46   87   88   89                                       
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   13                                                      
CONECT   59   17                                                      
CONECT   60   15                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   35                                                      
CONECT   72   30                                                      
CONECT   73   34                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   41                                                      
CONECT   84   45                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   47                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
