COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.425   4.748  -0.410  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.591  -3.297  -2.506  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.577  -2.928  -0.253  1.00  0.00           C  
HETATM    4  O   UNL     1       1.912  -1.829   1.208  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.957   1.275  -2.714  1.00  0.00           O  
HETATM    6  O   UNL     1      -3.643   2.170  -0.785  1.00  0.00           O  
HETATM    7  O   UNL     1      -1.207   1.150  -1.154  1.00  0.00           O  
HETATM    8  C   UNL     1       2.314  -0.648   4.575  1.00  0.00           C  
HETATM    9  C   UNL     1       2.721   0.216   3.576  1.00  0.00           C  
HETATM   10  C   UNL     1       1.028  -1.157   4.567  1.00  0.00           C  
HETATM   11  C   UNL     1       1.844   0.572   2.569  1.00  0.00           C  
HETATM   12  C   UNL     1       0.150  -0.800   3.560  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.879   1.545   0.961  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.007   1.499   1.756  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.139   0.687  -0.888  1.00  0.00           C  
HETATM   16  C   UNL     1       6.304   3.632  -0.440  1.00  0.00           C  
HETATM   17  C   UNL     1       5.583   2.412  -1.017  1.00  0.00           C  
HETATM   18  C   UNL     1       6.293  -0.490  -2.231  1.00  0.00           C  
HETATM   19  C   UNL     1       4.500  -3.176  -0.352  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.400   0.454   1.465  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.061  -1.358  -2.127  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.727  -0.450  -0.169  1.00  0.00           C  
HETATM   23  N   UNL     1      -9.352   0.998   2.028  1.00  0.00           N  
HETATM   24  N   UNL     1       1.059  -0.428  -0.289  1.00  0.00           N  
HETATM   25  O   UNL     1       7.659   3.643  -0.894  1.00  0.00           O  
HETATM   26  O   UNL     1       6.168   1.219  -0.489  1.00  0.00           O  
HETATM   27  O   UNL     1       6.282  -1.928  -2.112  1.00  0.00           O  
HETATM   28  O   UNL     1       5.917  -3.453  -0.371  1.00  0.00           O  
HETATM   29  O   UNL     1       3.316  -1.018  -0.307  1.00  0.00           O  
HETATM   30  C   UNL     1       2.090  -1.117   0.239  1.00  0.00           C  
HETATM   31  C   UNL     1       0.558   0.064   2.562  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.944   1.140  -0.359  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.209   1.045   1.228  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.271   0.638  -0.099  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.142  -2.239  -1.496  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.333  -0.216  -0.754  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.276  -0.536   0.305  1.00  0.00           C  
HETATM   38  C   UNL     1       5.564   0.015  -0.966  1.00  0.00           C  
HETATM   39  C   UNL     1       4.379  -1.788   0.314  1.00  0.00           C  
HETATM   40  N   UNL     1      -3.734  -0.259  -1.216  1.00  0.00           N  
HETATM   41  C   UNL     1       6.549  -2.205  -0.722  1.00  0.00           C  
HETATM   42  C   UNL     1       5.748  -1.124   0.058  1.00  0.00           C  
HETATM   43  S   UNL     1      -4.502   1.200  -1.370  1.00  0.00           S  
HETATM   44  H   UNL     1       7.968   5.680  -0.742  1.00  0.00           H  
HETATM   45  H   UNL     1       8.451   4.723   0.679  1.00  0.00           H  
HETATM   46  H   UNL     1       9.441   4.683  -0.799  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.361  -3.924  -2.057  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.994  -2.806  -3.392  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.739  -3.914  -2.789  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.645  -3.432  -0.509  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.387  -2.184   0.520  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.296  -3.660   0.116  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.324   1.784  -0.433  1.00  0.00           H  
HETATM   54  H   UNL     1       3.001  -0.930   5.359  1.00  0.00           H  
HETATM   55  H   UNL     1       3.726   0.613   3.583  1.00  0.00           H  
HETATM   56  H   UNL     1       0.710  -1.832   5.347  1.00  0.00           H  
HETATM   57  H   UNL     1       2.162   1.247   1.789  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.854  -1.197   3.554  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.945   1.902   1.370  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.956   1.815   2.787  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.187   0.372  -1.920  1.00  0.00           H  
HETATM   62  H   UNL     1       5.802   4.541  -0.772  1.00  0.00           H  
HETATM   63  H   UNL     1       6.286   3.584   0.649  1.00  0.00           H  
HETATM   64  H   UNL     1       4.528   2.451  -0.744  1.00  0.00           H  
HETATM   65  H   UNL     1       5.678   2.413  -2.102  1.00  0.00           H  
HETATM   66  H   UNL     1       7.318  -0.119  -2.252  1.00  0.00           H  
HETATM   67  H   UNL     1       5.757  -0.179  -3.128  1.00  0.00           H  
HETATM   68  H   UNL     1       4.105  -3.146  -1.367  1.00  0.00           H  
HETATM   69  H   UNL     1       3.975  -3.928   0.238  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.419   0.437   1.850  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.160   1.457   1.113  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.168  -1.955  -2.312  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.428  -0.952  -3.070  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.794  -1.467   0.217  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.906   0.259   0.640  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.308   1.282   2.955  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.191   0.680   1.658  1.00  0.00           H  
HETATM   78  H   UNL     1       1.201   0.140  -1.063  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.204   0.285  -0.513  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.994  -1.621  -1.214  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.189  -0.863  -1.619  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.428  -1.550   0.675  1.00  0.00           H  
HETATM   83  H   UNL     1       4.507   0.177  -1.175  1.00  0.00           H  
HETATM   84  H   UNL     1       4.198  -1.893   1.384  1.00  0.00           H  
HETATM   85  H   UNL     1       7.615  -2.198  -0.492  1.00  0.00           H  
HETATM   86  H   UNL     1       6.237  -0.794   0.975  1.00  0.00           H  
CONECT    1   25   44   45   46                                       
CONECT    2   35   47   48   49                                       
CONECT    3   35   50   51   52                                       
CONECT    4   30   30                                                 
CONECT    5   43   43                                                 
CONECT    6   43   43                                                 
CONECT    7   36   53                                                 
CONECT    8    9    9   10   54                                       
CONECT    9    8    8   11   55                                       
CONECT   10    8   12   12   56                                       
CONECT   11    9   31   31   57                                       
CONECT   12   10   10   31   58                                       
CONECT   13   14   14   32   59                                       
CONECT   14   13   13   33   60                                       
CONECT   15   32   32   34   61                                       
CONECT   16   17   25   62   63                                       
CONECT   17   16   26   64   65                                       
CONECT   18   27   38   66   67                                       
CONECT   19   28   39   68   69                                       
CONECT   20   31   37   70   71                                       
CONECT   21   35   40   72   73                                       
CONECT   22   36   40   74   75                                       
CONECT   23   33   76   77                                            
CONECT   24   30   37   78                                            
CONECT   25    1   16                                                 
CONECT   26   17   38                                                 
CONECT   27   18   41                                                 
CONECT   28   19   41                                                 
CONECT   29   30   39                                                 
CONECT   30    4    4   24   29                                       
CONECT   31   11   11   12   20                                       
CONECT   32   13   15   15   43                                       
CONECT   33   14   23   34   34                                       
CONECT   34   15   33   33   79                                       
CONECT   35    2    3   21   80                                       
CONECT   36    7   22   37   81                                       
CONECT   37   20   24   36   82                                       
CONECT   38   18   26   42   83                                       
CONECT   39   19   29   42   84                                       
CONECT   40   21   22   43                                            
CONECT   41   27   28   42   85                                       
CONECT   42   38   39   41   86                                       
CONECT   43    5    5    6    6                                       
CONECT   43   32   40                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
