COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.237   1.897  -2.719  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.619   2.488  -2.435  1.00  0.00           C  
HETATM    3  C   UNL     1       2.302  -1.441   0.264  1.00  0.00           C  
HETATM    4  C   UNL     1       3.553  -1.739  -0.229  1.00  0.00           C  
HETATM    5  C   UNL     1       3.943  -3.176  -0.459  1.00  0.00           C  
HETATM    6  C   UNL     1       1.658  -4.142  -0.751  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.677  -4.682  -0.106  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.025  -4.743  -0.572  1.00  0.00           C  
HETATM    9  O   UNL     1       0.117   1.316   0.947  1.00  0.00           O  
HETATM   10  C   UNL     1       0.552   0.181   0.933  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.206  -0.871   1.372  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.670  -0.673   1.287  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.365  -1.918   1.840  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.071   0.551   2.112  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.516   0.778   1.981  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.819   1.567   0.780  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.957   3.043   1.161  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.005   3.191   2.121  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.641   3.539   1.763  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.110   1.083   0.172  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.589   1.665  -0.946  1.00  0.00           N  
HETATM   22  C   UNL     1      -6.702   1.247  -1.470  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.348   0.852  -3.831  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.718   0.169   0.689  1.00  0.00           O  
HETATM   25  C   UNL     1       1.919  -0.108   0.439  1.00  0.00           C  
HETATM   26  C   UNL     1       2.890  -4.102   0.155  1.00  0.00           C  
HETATM   27  C   UNL     1       0.706  -5.249  -0.290  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.755  -5.258  -0.752  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.219  -3.660   0.263  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.143  -3.088   0.916  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.871  -3.591   0.720  1.00  0.00           C  
HETATM   32  C   UNL     1       4.445  -0.725  -0.525  1.00  0.00           C  
HETATM   33  C   UNL     1       4.083   0.603  -0.328  1.00  0.00           C  
HETATM   34  N   UNL     1       4.992   1.624  -0.615  1.00  0.00           N  
HETATM   35  C   UNL     1       4.506   2.966  -0.945  1.00  0.00           C  
HETATM   36  C   UNL     1       4.259   3.750   0.346  1.00  0.00           C  
HETATM   37  C   UNL     1       3.751   5.152   0.002  1.00  0.00           C  
HETATM   38  S   UNL     1       6.619   1.317  -0.584  1.00  0.00           S  
HETATM   39  O   UNL     1       6.752   0.226   0.317  1.00  0.00           O  
HETATM   40  C   UNL     1       7.015   0.798  -2.276  1.00  0.00           C  
HETATM   41  O   UNL     1       7.208   2.578  -0.298  1.00  0.00           O  
HETATM   42  C   UNL     1       2.819   0.916   0.153  1.00  0.00           C  
HETATM   43  H   UNL     1      -6.560   2.692  -3.034  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.540   3.233  -1.643  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.007   2.958  -3.339  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.296   1.694  -2.120  1.00  0.00           H  
HETATM   47  H   UNL     1       1.616  -2.238   0.511  1.00  0.00           H  
HETATM   48  H   UNL     1       4.013  -3.366  -1.530  1.00  0.00           H  
HETATM   49  H   UNL     1       4.910  -3.368   0.007  1.00  0.00           H  
HETATM   50  H   UNL     1       1.144  -3.182  -0.706  1.00  0.00           H  
HETATM   51  H   UNL     1       1.969  -4.336  -1.777  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.865  -5.188  -1.084  1.00  0.00           H  
HETATM   53  H   UNL     1       0.190  -1.688   1.713  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.959  -0.524   0.247  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.958  -2.153   2.824  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.434  -1.726   1.929  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.823   0.380   3.160  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.532   1.426   1.749  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.020  -0.097   1.976  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.012   1.453   0.057  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.194   3.627   0.272  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.861   2.697   2.940  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.843   3.435   1.027  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.742   4.588   2.043  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.399   2.949   2.646  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.243   0.434  -1.010  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.735   1.322  -4.735  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.363   0.431  -4.034  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.025   0.058  -3.516  1.00  0.00           H  
HETATM   70  H   UNL     1       3.301  -5.107   0.252  1.00  0.00           H  
HETATM   71  H   UNL     1       2.606  -3.728   1.138  1.00  0.00           H  
HETATM   72  H   UNL     1       0.678  -6.039  -1.041  1.00  0.00           H  
HETATM   73  H   UNL     1       1.058  -5.661   0.656  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.604  -6.111  -1.398  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.212  -3.259   0.406  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.027  -3.131   1.214  1.00  0.00           H  
HETATM   77  H   UNL     1       5.426  -0.964  -0.909  1.00  0.00           H  
HETATM   78  H   UNL     1       5.252   3.485  -1.547  1.00  0.00           H  
HETATM   79  H   UNL     1       3.576   2.888  -1.507  1.00  0.00           H  
HETATM   80  H   UNL     1       3.513   3.231   0.948  1.00  0.00           H  
HETATM   81  H   UNL     1       5.189   3.828   0.908  1.00  0.00           H  
HETATM   82  H   UNL     1       3.575   5.710   0.922  1.00  0.00           H  
HETATM   83  H   UNL     1       4.497   5.670  -0.600  1.00  0.00           H  
HETATM   84  H   UNL     1       2.820   5.074  -0.560  1.00  0.00           H  
HETATM   85  H   UNL     1       6.631   1.535  -2.981  1.00  0.00           H  
HETATM   86  H   UNL     1       8.096   0.717  -2.388  1.00  0.00           H  
HETATM   87  H   UNL     1       6.555  -0.170  -2.476  1.00  0.00           H  
HETATM   88  H   UNL     1       2.535   1.947   0.304  1.00  0.00           H  
CONECT    1   23   22    2   43                                       
CONECT    2    1   44   45   46                                       
CONECT    3    4    4   25   47                                       
CONECT    4    5    3    3   32                                       
CONECT    5   26    4   48   49                                       
CONECT    6   27   26   50   51                                       
CONECT    7   27   31   31   28                                       
CONECT    8   28   28   29   52                                       
CONECT    9   10   10                                                 
CONECT   10   11   25    9    9                                       
CONECT   11   12   10   53                                            
CONECT   12   14   13   11   54                                       
CONECT   13   12   30   55   56                                       
CONECT   14   15   12   57   58                                       
CONECT   15   14   16   59                                            
CONECT   16   15   17   20   60                                       
CONECT   17   19   16   18   61                                       
CONECT   18   17   62                                                 
CONECT   19   17   63   64   65                                       
CONECT   20   16   21   24   24                                       
CONECT   21   20   22   22                                            
CONECT   22   21   21    1   66                                       
CONECT   23    1   67   68   69                                       
CONECT   24   20   20                                                 
CONECT   25    3   10   42   42                                       
CONECT   26    6    5   70   71                                       
CONECT   27    6    7   72   73                                       
CONECT   28    7    8    8   74                                       
CONECT   29   30   30    8   75                                       
CONECT   30   31   13   29   29                                       
CONECT   31    7    7   30   76                                       
CONECT   32    4   33   33   77                                       
CONECT   33   32   32   42   34                                       
CONECT   34   38   33   35                                            
CONECT   35   34   36   78   79                                       
CONECT   36   35   37   80   81                                       
CONECT   37   36   82   83   84                                       
CONECT   38   41   41   39   39                                       
CONECT   38   34   40                                                 
CONECT   39   38   38                                                 
CONECT   40   38   85   86   87                                       
CONECT   41   38   38                                                 
CONECT   42   25   25   33   88                                       
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   42                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
