COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.193   1.544   1.574  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.904   0.916   2.381  1.00  0.00           C  
HETATM    3  C   UNL     1       1.652  -0.015   1.116  1.00  0.00           C  
HETATM    4  C   UNL     1       2.435  -0.070  -0.170  1.00  0.00           C  
HETATM    5  C   UNL     1       4.532   0.060  -1.404  1.00  0.00           C  
HETATM    6  C   UNL     1       4.549  -1.398  -1.866  1.00  0.00           C  
HETATM    7  O   UNL     1       5.396  -1.526  -3.009  1.00  0.00           O  
HETATM    8  C   UNL     1       5.966   0.533  -1.157  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.831  -0.377  -0.875  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.067  -0.113  -1.666  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.212  -1.602  -1.989  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.619   0.639  -2.921  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.414   0.439  -1.194  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.160   0.374   1.355  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.760   1.054   1.377  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.247   0.181   2.529  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.522   0.444  -0.004  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.499  -0.719  -0.214  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.700   2.088   1.779  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.677   0.454   1.656  1.00  0.00           C  
HETATM   21  C   UNL     1       5.962   2.030  -0.839  1.00  0.00           C  
HETATM   22  C   UNL     1       7.369   2.520  -0.582  1.00  0.00           C  
HETATM   23  C   UNL     1       6.386   4.101  -1.971  1.00  0.00           C  
HETATM   24  C   UNL     1       5.496   2.843  -2.069  1.00  0.00           C  
HETATM   25  C   UNL     1       2.063  -1.185   2.013  1.00  0.00           C  
HETATM   26  C   UNL     1       3.501  -0.979   2.493  1.00  0.00           C  
HETATM   27  C   UNL     1       3.572   0.276   3.366  1.00  0.00           C  
HETATM   28  C   UNL     1       3.945  -2.194   3.310  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.865  -0.245   0.056  1.00  0.00           N  
HETATM   30  N   UNL     1       0.220  -0.106   0.821  1.00  0.00           N  
HETATM   31  N   UNL     1       3.761   0.170  -0.163  1.00  0.00           N  
HETATM   32  N   UNL     1       7.581   3.678  -1.232  1.00  0.00           N  
HETATM   33  O   UNL     1      -7.576  -0.890  -1.947  1.00  0.00           O  
HETATM   34  O   UNL     1      -9.078   0.061  -0.618  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.995   0.285   1.441  1.00  0.00           O  
HETATM   36  O   UNL     1       8.188   1.952   0.110  1.00  0.00           O  
HETATM   37  O   UNL     1       1.871  -0.329  -1.212  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.296   1.112   2.605  1.00  0.00           O  
HETATM   39  S   UNL     1       5.177  -2.450  -0.527  1.00  0.00           S  
HETATM   40  H   UNL     1      -6.410   2.335   0.857  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.310   1.928   2.588  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.429   1.155   3.332  1.00  0.00           H  
HETATM   43  H   UNL     1       1.859   0.925   1.628  1.00  0.00           H  
HETATM   44  H   UNL     1       4.073   0.680  -2.174  1.00  0.00           H  
HETATM   45  H   UNL     1       3.537  -1.709  -2.127  1.00  0.00           H  
HETATM   46  H   UNL     1       6.314  -1.267  -2.850  1.00  0.00           H  
HETATM   47  H   UNL     1       6.390  -0.016  -0.316  1.00  0.00           H  
HETATM   48  H   UNL     1       6.567   0.353  -2.048  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.532  -2.138  -1.095  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.954  -1.733  -2.776  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.253  -1.996  -2.325  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.361   0.508  -3.708  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.516   1.700  -2.691  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.659   0.245  -3.257  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.733  -0.097  -0.301  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.311   1.500  -0.965  1.00  0.00           H  
HETATM   57  H   UNL     1     -12.156   0.309  -1.982  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.030  -0.361   2.148  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.186   0.742   1.362  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.193  -0.880   2.283  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.747   0.372   3.478  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.687   1.201  -0.770  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.498   0.077  -0.068  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.431  -1.072  -1.243  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.253  -1.531   0.470  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.049   2.806   2.521  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.206   2.561   0.930  1.00  0.00           H  
HETATM   68  H   UNL     1       5.321   2.235   0.019  1.00  0.00           H  
HETATM   69  H   UNL     1       6.662   4.447  -2.967  1.00  0.00           H  
HETATM   70  H   UNL     1       5.865   4.891  -1.429  1.00  0.00           H  
HETATM   71  H   UNL     1       5.690   2.298  -2.993  1.00  0.00           H  
HETATM   72  H   UNL     1       4.440   3.104  -1.987  1.00  0.00           H  
HETATM   73  H   UNL     1       1.396  -1.235   2.874  1.00  0.00           H  
HETATM   74  H   UNL     1       1.998  -2.115   1.449  1.00  0.00           H  
HETATM   75  H   UNL     1       4.158  -0.860   1.632  1.00  0.00           H  
HETATM   76  H   UNL     1       2.958   0.136   4.255  1.00  0.00           H  
HETATM   77  H   UNL     1       4.606   0.454   3.663  1.00  0.00           H  
HETATM   78  H   UNL     1       3.204   1.133   2.801  1.00  0.00           H  
HETATM   79  H   UNL     1       3.894  -3.088   2.689  1.00  0.00           H  
HETATM   80  H   UNL     1       4.969  -2.047   3.653  1.00  0.00           H  
HETATM   81  H   UNL     1       3.288  -2.312   4.172  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.082  -0.569   0.024  1.00  0.00           H  
HETATM   83  H   UNL     1       4.205   0.416   0.664  1.00  0.00           H  
HETATM   84  H   UNL     1       8.417   4.171  -1.214  1.00  0.00           H  
HETATM   85  O   UNL     1       5.266  -3.838  -1.145  1.00  0.00           O  
HETATM   86  O   UNL     1       6.524  -2.116  -0.222  1.00  0.00           O  
HETATM   87  O   UNL     1       4.204  -2.584   0.500  1.00  0.00           O  
HETATM   88  H   UNL     1       5.591  -4.518  -0.539  1.00  0.00           H  
CONECT    1   15   14   40   41                                       
CONECT    2   19   16   35   42                                       
CONECT    3   30    4   25   43                                       
CONECT    4    3   31   37   37                                       
CONECT    5    8   31    6   44                                       
CONECT    6   39    5    7   45                                       
CONECT    7    6   46                                                 
CONECT    8   21    5   47   48                                       
CONECT    9   34   29   33   33                                       
CONECT   10   12   11   34   13                                       
CONECT   11   10   49   50   51                                       
CONECT   12   10   52   53   54                                       
CONECT   13   10   55   56   57                                       
CONECT   14   29    1   58   59                                       
CONECT   15   17   19   16    1                                       
CONECT   16   15    2   60   61                                       
CONECT   17   18   15   62   63                                       
CONECT   18   17   29   64   65                                       
CONECT   19   15    2   66   67                                       
CONECT   20   38   38   35   30                                       
CONECT   21   22    8   24   68                                       
CONECT   22   36   36   32   21                                       
CONECT   23   32   24   69   70                                       
CONECT   24   21   23   71   72                                       
CONECT   25    3   26   73   74                                       
CONECT   26   27   25   28   75                                       
CONECT   27   26   76   77   78                                       
CONECT   28   26   79   80   81                                       
CONECT   29   18    9   14                                            
CONECT   30   20    3   82                                            
CONECT   31    5    4   83                                            
CONECT   32   22   23   84                                            
CONECT   33    9    9                                                 
CONECT   34   10    9                                                 
CONECT   35    2   20                                                 
CONECT   36   22   22                                                 
CONECT   37    4    4                                                 
CONECT   38   20   20                                                 
CONECT   39    6   85   86   86                                       
CONECT   39   87   87                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   21                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   39   88                                                 
CONECT   86   39   39                                                 
CONECT   87   39   39                                                 
CONECT   88   85                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
