COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.339   5.293  -3.107  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.113   3.973  -2.368  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.354   3.567  -1.703  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.394   2.385  -0.960  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.571   2.001  -0.330  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.615   0.827   0.410  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.483   0.033   0.522  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.299   0.415  -0.110  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.260   1.593  -0.857  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.091  -0.428   0.008  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.128  -1.457   0.656  1.00  0.00           O  
HETATM   12  N   UNL     1       0.052  -0.058  -0.603  1.00  0.00           N  
HETATM   13  C   UNL     1       1.250  -0.894  -0.487  1.00  0.00           C  
HETATM   14  C   UNL     1       1.210  -1.993  -1.550  1.00  0.00           C  
HETATM   15  C   UNL     1       0.051  -2.916  -1.276  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.188  -2.655  -1.831  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.251  -3.501  -1.579  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.075  -4.610  -0.772  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.836  -4.872  -0.217  1.00  0.00           C  
HETATM   20  C   UNL     1       0.228  -4.027  -0.473  1.00  0.00           C  
HETATM   21  C   UNL     1       2.496  -0.030  -0.692  1.00  0.00           C  
HETATM   22  O   UNL     1       2.513   0.471  -2.030  1.00  0.00           O  
HETATM   23  C   UNL     1       3.748  -0.876  -0.447  1.00  0.00           C  
HETATM   24  N   UNL     1       4.939  -0.020  -0.526  1.00  0.00           N  
HETATM   25  C   UNL     1       6.163  -0.800  -0.296  1.00  0.00           C  
HETATM   26  C   UNL     1       6.615  -1.439  -1.611  1.00  0.00           C  
HETATM   27  C   UNL     1       7.248   0.110   0.220  1.00  0.00           C  
HETATM   28  O   UNL     1       7.024   1.291   0.380  1.00  0.00           O  
HETATM   29  N   UNL     1       8.468  -0.389   0.503  1.00  0.00           N  
HETATM   30  C   UNL     1       9.523   0.495   1.004  1.00  0.00           C  
HETATM   31  C   UNL     1      10.534  -0.324   1.810  1.00  0.00           C  
HETATM   32  C   UNL     1      11.635   0.600   2.334  1.00  0.00           C  
HETATM   33  C   UNL     1      12.345   1.268   1.154  1.00  0.00           C  
HETATM   34  C   UNL     1      11.334   2.086   0.348  1.00  0.00           C  
HETATM   35  C   UNL     1      10.232   1.163  -0.175  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.801   0.445   1.042  1.00  0.00           N  
HETATM   37  C   UNL     1      -6.938   0.162   0.282  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.114   0.870   0.498  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.236   0.589  -0.256  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.191  -0.397  -1.225  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.023  -1.104  -1.442  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.895  -0.824  -0.696  1.00  0.00           C  
HETATM   43  S   UNL     1      -5.858   0.327   2.693  1.00  0.00           S  
HETATM   44  C   UNL     1      -6.193   2.018   3.256  1.00  0.00           C  
HETATM   45  O   UNL     1      -6.976  -0.514   2.946  1.00  0.00           O  
HETATM   46  O   UNL     1      -4.544  -0.070   3.062  1.00  0.00           O  
HETATM   47  H   UNL     1      -1.415   5.595  -3.602  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.124   5.163  -3.852  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.637   6.062  -2.395  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.814   3.204  -3.080  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.328   4.103  -1.623  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.148   4.120  -1.779  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.453   2.618  -0.416  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.347   1.890  -1.350  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.517  -0.880   1.098  1.00  0.00           H  
HETATM   56  H   UNL     1       0.082   0.763  -1.120  1.00  0.00           H  
HETATM   57  H   UNL     1       1.281  -1.347   0.504  1.00  0.00           H  
HETATM   58  H   UNL     1       1.089  -1.541  -2.535  1.00  0.00           H  
HETATM   59  H   UNL     1       2.140  -2.559  -1.522  1.00  0.00           H  
HETATM   60  H   UNL     1       2.479   0.805   0.009  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.325  -1.788  -2.461  1.00  0.00           H  
HETATM   62  H   UNL     1       1.197  -4.234  -0.043  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.219  -3.297  -2.012  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.906  -5.271  -0.574  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.699  -5.738   0.413  1.00  0.00           H  
HETATM   66  H   UNL     1       2.529  -0.218  -2.708  1.00  0.00           H  
HETATM   67  H   UNL     1       3.692  -1.330   0.542  1.00  0.00           H  
HETATM   68  H   UNL     1       3.811  -1.658  -1.204  1.00  0.00           H  
HETATM   69  H   UNL     1       4.979   0.463  -1.411  1.00  0.00           H  
HETATM   70  H   UNL     1       5.964  -1.580   0.438  1.00  0.00           H  
HETATM   71  H   UNL     1       6.814  -0.658  -2.345  1.00  0.00           H  
HETATM   72  H   UNL     1       7.523  -2.017  -1.440  1.00  0.00           H  
HETATM   73  H   UNL     1       5.830  -2.097  -1.984  1.00  0.00           H  
HETATM   74  H   UNL     1       8.647  -1.334   0.375  1.00  0.00           H  
HETATM   75  H   UNL     1       9.082   1.260   1.644  1.00  0.00           H  
HETATM   76  H   UNL     1      10.028  -0.800   2.651  1.00  0.00           H  
HETATM   77  H   UNL     1      10.974  -1.089   1.171  1.00  0.00           H  
HETATM   78  H   UNL     1      10.672   0.398  -0.815  1.00  0.00           H  
HETATM   79  H   UNL     1       9.512   1.746  -0.749  1.00  0.00           H  
HETATM   80  H   UNL     1      11.195   1.365   2.973  1.00  0.00           H  
HETATM   81  H   UNL     1      12.356   0.017   2.908  1.00  0.00           H  
HETATM   82  H   UNL     1      13.130   1.926   1.527  1.00  0.00           H  
HETATM   83  H   UNL     1      12.785   0.503   0.514  1.00  0.00           H  
HETATM   84  H   UNL     1      10.893   2.851   0.988  1.00  0.00           H  
HETATM   85  H   UNL     1      11.839   2.562  -0.492  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.150   1.640   1.255  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.982  -1.373  -0.869  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.151   1.139  -0.088  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.071  -0.615  -1.812  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.991  -1.873  -2.200  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.204   2.305   2.965  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.101   2.065   4.341  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.477   2.701   2.801  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2    1    3   50   51                                       
CONECT    3    2    4   52                                            
CONECT    4    3    5    9    9                                       
CONECT    5    4    6    6   53                                       
CONECT    6    5    5    7   36                                       
CONECT    7    6    8    8   55                                       
CONECT    8    7    7    9   10                                       
CONECT    9    4    4    8   54                                       
CONECT   10    8   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   56                                            
CONECT   13   12   14   21   57                                       
CONECT   14   13   15   58   59                                       
CONECT   15   14   16   20   20                                       
CONECT   16   15   17   17   61                                       
CONECT   17   16   16   18   63                                       
CONECT   18   17   19   19   64                                       
CONECT   19   18   18   20   65                                       
CONECT   20   15   15   19   62                                       
CONECT   21   13   22   23   60                                       
CONECT   22   21   66                                                 
CONECT   23   21   24   67   68                                       
CONECT   24   23   25   69                                            
CONECT   25   24   26   27   70                                       
CONECT   26   25   71   72   73                                       
CONECT   27   25   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   74                                            
CONECT   30   29   31   35   75                                       
CONECT   31   30   32   76   77                                       
CONECT   32   31   33   80   81                                       
CONECT   33   32   34   82   83                                       
CONECT   34   33   35   84   85                                       
CONECT   35   30   34   78   79                                       
CONECT   36    6   37   43                                            
CONECT   37   36   38   42   42                                       
CONECT   38   37   39   39   86                                       
CONECT   39   38   38   40   88                                       
CONECT   40   39   41   41   89                                       
CONECT   41   40   40   42   90                                       
CONECT   42   37   37   41   87                                       
CONECT   43   36   44   45   45                                       
CONECT   43   46   46                                                 
CONECT   44   43   91   92   93                                       
CONECT   45   43   43                                                 
CONECT   46   43   43                                                 
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    5                                                      
CONECT   54    9                                                      
CONECT   55    7                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   21                                                      
CONECT   61   16                                                      
CONECT   62   20                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   38                                                      
CONECT   87   42                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
