COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.508   2.513   2.779  1.00  0.00           O  
HETATM    2  S   UNL     1      -5.723   1.881   2.400  1.00  0.00           S  
HETATM    3  O   UNL     1      -6.629   1.389   3.378  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.601   2.878   1.164  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.240   0.530   1.574  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.114  -0.644   1.515  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.999   0.510   0.932  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.405   1.699   0.535  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.166   1.683  -0.106  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.533   2.951  -0.528  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.093   4.009  -0.317  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.336   2.934  -1.148  1.00  0.00           N  
HETATM   13  C   UNL     1       0.290   4.190  -1.566  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.250   4.597  -2.938  1.00  0.00           C  
HETATM   15  C   UNL     1       1.783   4.004  -1.648  1.00  0.00           C  
HETATM   16  C   UNL     1       2.306   2.835  -2.168  1.00  0.00           C  
HETATM   17  C   UNL     1       3.675   2.663  -2.244  1.00  0.00           C  
HETATM   18  C   UNL     1       2.629   5.005  -1.209  1.00  0.00           C  
HETATM   19  C   UNL     1       3.999   4.836  -1.284  1.00  0.00           C  
HETATM   20  C   UNL     1       4.523   3.662  -1.799  1.00  0.00           C  
HETATM   21  F   UNL     1       5.862   3.495  -1.872  1.00  0.00           F  
HETATM   22  C   UNL     1      -3.361  -0.700   0.697  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.121  -0.723   0.056  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.525   0.469  -0.348  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.441  -2.012  -0.193  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.962  -3.052   0.160  1.00  0.00           O  
HETATM   27  N   UNL     1      -0.244  -2.034  -0.812  1.00  0.00           N  
HETATM   28  C   UNL     1       0.429  -3.312  -1.060  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.092  -3.919  -2.364  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.551  -4.261  -2.211  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.924  -5.508  -1.746  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.263  -5.819  -1.600  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.229  -4.884  -1.920  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.856  -3.636  -2.385  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.517  -3.325  -2.531  1.00  0.00           C  
HETATM   36  C   UNL     1       1.938  -3.080  -1.172  1.00  0.00           C  
HETATM   37  N   UNL     1       2.418  -2.388   0.032  1.00  0.00           N  
HETATM   38  C   UNL     1       3.865  -2.148  -0.040  1.00  0.00           C  
HETATM   39  C   UNL     1       4.129  -0.853  -0.810  1.00  0.00           C  
HETATM   40  C   UNL     1       4.424  -2.027   1.354  1.00  0.00           C  
HETATM   41  O   UNL     1       3.690  -2.131   2.313  1.00  0.00           O  
HETATM   42  N   UNL     1       5.741  -1.804   1.534  1.00  0.00           N  
HETATM   43  C   UNL     1       6.285  -1.687   2.890  1.00  0.00           C  
HETATM   44  C   UNL     1       7.793  -1.437   2.814  1.00  0.00           C  
HETATM   45  C   UNL     1       8.053  -0.081   2.155  1.00  0.00           C  
HETATM   46  C   UNL     1       8.381  -1.438   4.226  1.00  0.00           C  
HETATM   47  H   UNL     1      -6.957   3.798   1.627  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.923   3.122   0.347  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.449   2.313   0.778  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.895  -1.303   2.356  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.155  -0.325   1.566  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.943  -1.179   0.581  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.903   2.639   0.722  1.00  0.00           H  
HETATM   54  H   UNL     1       0.110   2.089  -1.316  1.00  0.00           H  
HETATM   55  H   UNL     1       0.061   4.970  -0.839  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.020   3.818  -3.665  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.330   4.732  -2.879  1.00  0.00           H  
HETATM   58  H   UNL     1       0.216   5.532  -3.249  1.00  0.00           H  
HETATM   59  H   UNL     1       1.644   2.055  -2.515  1.00  0.00           H  
HETATM   60  H   UNL     1       4.083   1.749  -2.650  1.00  0.00           H  
HETATM   61  H   UNL     1       2.220   5.920  -0.807  1.00  0.00           H  
HETATM   62  H   UNL     1       4.660   5.618  -0.941  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.823  -1.623   1.012  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.566   0.454  -0.845  1.00  0.00           H  
HETATM   65  H   UNL     1       0.172  -1.204  -1.094  1.00  0.00           H  
HETATM   66  H   UNL     1       0.227  -3.995  -0.235  1.00  0.00           H  
HETATM   67  H   UNL     1       0.030  -3.199  -3.174  1.00  0.00           H  
HETATM   68  H   UNL     1       0.471  -4.823  -2.594  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.169  -6.239  -1.496  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.554  -6.794  -1.238  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.275  -5.128  -1.808  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.611  -2.906  -2.635  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.226  -2.349  -2.890  1.00  0.00           H  
HETATM   74  H   UNL     1       2.447  -4.039  -1.267  1.00  0.00           H  
HETATM   75  H   UNL     1       2.147  -2.469  -2.050  1.00  0.00           H  
HETATM   76  H   UNL     1       2.178  -2.904   0.865  1.00  0.00           H  
HETATM   77  H   UNL     1       4.346  -2.981  -0.554  1.00  0.00           H  
HETATM   78  H   UNL     1       5.203  -0.675  -0.864  1.00  0.00           H  
HETATM   79  H   UNL     1       3.724  -0.940  -1.818  1.00  0.00           H  
HETATM   80  H   UNL     1       3.648  -0.020  -0.296  1.00  0.00           H  
HETATM   81  H   UNL     1       6.329  -1.722   0.767  1.00  0.00           H  
HETATM   82  H   UNL     1       5.804  -0.854   3.403  1.00  0.00           H  
HETATM   83  H   UNL     1       6.097  -2.610   3.438  1.00  0.00           H  
HETATM   84  H   UNL     1       8.262  -2.224   2.224  1.00  0.00           H  
HETATM   85  H   UNL     1       9.127   0.097   2.101  1.00  0.00           H  
HETATM   86  H   UNL     1       7.633  -0.080   1.148  1.00  0.00           H  
HETATM   87  H   UNL     1       7.583   0.706   2.745  1.00  0.00           H  
HETATM   88  H   UNL     1       8.196  -2.404   4.696  1.00  0.00           H  
HETATM   89  H   UNL     1       9.455  -1.260   4.173  1.00  0.00           H  
HETATM   90  H   UNL     1       7.912  -0.651   4.817  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    5    3    3                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2   47   48   49                                       
CONECT    5    6    7    2                                            
CONECT    6    5   50   51   52                                       
CONECT    7    5   22   22    8                                       
CONECT    8    7    9    9   53                                       
CONECT    9    8    8   24   10                                       
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   54                                            
CONECT   13   12   14   15   55                                       
CONECT   14   13   56   57   58                                       
CONECT   15   13   18   18   16                                       
CONECT   16   15   17   17   59                                       
CONECT   17   16   16   20   60                                       
CONECT   18   15   15   19   61                                       
CONECT   19   18   20   20   62                                       
CONECT   20   19   19   17   21                                       
CONECT   21   20                                                      
CONECT   22    7    7   23   63                                       
CONECT   23   22   25   24   24                                       
CONECT   24   23   23    9   64                                       
CONECT   25   26   26   23   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   65                                            
CONECT   28   27   29   36   66                                       
CONECT   29   30   28   67   68                                       
CONECT   30   31   35   35   29                                       
CONECT   31   32   32   30   69                                       
CONECT   32   31   31   33   70                                       
CONECT   33   32   34   34   71                                       
CONECT   34   33   33   35   72                                       
CONECT   35   30   30   34   73                                       
CONECT   36   28   37   74   75                                       
CONECT   37   38   36   76                                            
CONECT   38   40   39   37   77                                       
CONECT   39   38   78   79   80                                       
CONECT   40   41   41   42   38                                       
CONECT   41   40   40                                                 
CONECT   42   43   40   81                                            
CONECT   43   44   42   82   83                                       
CONECT   44   46   43   45   84                                       
CONECT   45   44   85   86   87                                       
CONECT   46   44   88   89   90                                       
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
CONECT   90   46                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
