COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.246  -0.265   0.316  1.00  0.00           C  
HETATM    2  C   UNL     1       6.169  -0.613  -0.503  1.00  0.00           C  
HETATM    3  C   UNL     1       5.061  -1.307  -1.031  1.00  0.00           C  
HETATM    4  C   UNL     1       3.902  -0.638  -1.335  1.00  0.00           C  
HETATM    5  C   UNL     1       3.801   0.729  -1.128  1.00  0.00           C  
HETATM    6  C   UNL     1       4.871   1.428  -0.613  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.646   1.707  -0.058  1.00  0.00           C  
HETATM    8  N   UNL     1       7.377  -1.096  -0.149  1.00  0.00           N  
HETATM    9  N   UNL     1       9.521  -0.602   0.721  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.802   1.775   1.567  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.764  -2.821  -1.101  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.554  -2.631  -0.461  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.177  -3.474   0.568  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.631   0.213   1.991  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.741   0.204  -1.541  1.00  0.00           C  
HETATM   16  C   UNL     1       1.448   2.628   0.814  1.00  0.00           C  
HETATM   17  C   UNL     1       2.447   2.239   1.906  1.00  0.00           C  
HETATM   18  C   UNL     1       2.648   3.421   2.857  1.00  0.00           C  
HETATM   19  C   UNL     1       1.906   1.041   2.688  1.00  0.00           C  
HETATM   20  C   UNL     1       0.418   0.440   0.047  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.980   0.858  -0.414  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.981  -0.249  -0.075  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.397  -0.336   0.228  1.00  0.00           C  
HETATM   24  C   UNL     1      11.090  -2.433   1.586  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.647  -1.504  -0.883  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.597  -3.853  -0.712  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.009  -4.507   0.956  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.219  -4.696   0.316  1.00  0.00           C  
HETATM   29  C   UNL     1      11.379  -2.250   0.095  1.00  0.00           C  
HETATM   30  C   UNL     1       6.058   0.768  -0.309  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.738  -0.543   0.647  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.997  -0.577  -0.237  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.032   0.318   0.511  1.00  0.00           C  
HETATM   34  C   UNL     1       9.972  -1.994   0.638  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.083   0.296   1.899  1.00  0.00           C  
HETATM   36  N   UNL     1       1.354   1.546  -0.169  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.336   0.199  -0.407  1.00  0.00           N  
HETATM   38  O   UNL     1      -7.292   2.042   0.264  1.00  0.00           O  
HETATM   39  O   UNL     1       2.657   2.932  -1.741  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.971   1.075  -1.827  1.00  0.00           O  
HETATM   41  O   UNL     1      -8.565   1.389  -1.487  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.231  -1.190   1.076  1.00  0.00           O  
HETATM   43  O   UNL     1      -5.642   0.076  -0.077  1.00  0.00           O  
HETATM   44  O   UNL     1       1.642   0.777  -2.497  1.00  0.00           O  
HETATM   45  S   UNL     1       7.578   1.361   0.355  1.00  0.00           S  
HETATM   46  S   UNL     1       2.306   1.572  -1.524  1.00  0.00           S  
HETATM   47  H   UNL     1       5.126  -2.372  -1.198  1.00  0.00           H  
HETATM   48  H   UNL     1       3.061  -1.182  -1.740  1.00  0.00           H  
HETATM   49  H   UNL     1       4.791   2.493  -0.452  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.367   2.489   0.180  1.00  0.00           H  
HETATM   51  H   UNL     1      10.119   0.082   1.061  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.309   2.416   2.288  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.728   1.961   1.601  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.061  -2.160  -1.902  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.231  -3.325   1.068  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.034   1.047   2.566  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.947  -0.740   2.415  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.690   0.484  -1.608  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.020  -0.404  -2.401  1.00  0.00           H  
HETATM   60  H   UNL     1       0.469   2.799   1.261  1.00  0.00           H  
HETATM   61  H   UNL     1       1.786   3.539   0.320  1.00  0.00           H  
HETATM   62  H   UNL     1       3.400   1.974   1.449  1.00  0.00           H  
HETATM   63  H   UNL     1       1.694   3.685   3.314  1.00  0.00           H  
HETATM   64  H   UNL     1       3.359   3.144   3.635  1.00  0.00           H  
HETATM   65  H   UNL     1       3.033   4.274   2.300  1.00  0.00           H  
HETATM   66  H   UNL     1       1.886   0.164   2.041  1.00  0.00           H  
HETATM   67  H   UNL     1       2.551   0.845   3.545  1.00  0.00           H  
HETATM   68  H   UNL     1       0.896   1.259   3.036  1.00  0.00           H  
HETATM   69  H   UNL     1       0.391   0.188   1.107  1.00  0.00           H  
HETATM   70  H   UNL     1       0.744  -0.429  -0.525  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.270   1.778   0.093  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.924  -0.477   0.989  1.00  0.00           H  
HETATM   73  H   UNL     1      11.052  -3.452   1.970  1.00  0.00           H  
HETATM   74  H   UNL     1      11.490  -1.686   2.272  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.609  -1.787  -0.704  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.790  -1.302  -1.945  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.543  -4.002  -1.213  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.714  -5.166   1.759  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.871  -5.503   0.620  1.00  0.00           H  
HETATM   80  H   UNL     1      11.970  -1.382  -0.200  1.00  0.00           H  
HETATM   81  H   UNL     1      11.533  -3.148  -0.502  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.464  -1.556   0.943  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.354  -1.591  -0.418  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.073   0.051   0.328  1.00  0.00           H  
HETATM   85  H   UNL     1       9.199  -2.725   0.398  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.580  -0.041   2.805  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.469   0.881  -1.084  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.721   0.296  -2.343  1.00  0.00           H  
CONECT    1    8    8    9   45                                       
CONECT    2    3    3    8   30                                       
CONECT    3    2    2    4   47                                       
CONECT    4    3    5    5   48                                       
CONECT    5    4    4    6   46                                       
CONECT    6    5   30   30   49                                       
CONECT    7   33   41   38   50                                       
CONECT    8    1    1    2                                            
CONECT    9    1   34   51                                            
CONECT   10   35   52   53   38                                       
CONECT   11   12   12   26   54                                       
CONECT   12   11   11   13   25                                       
CONECT   13   12   27   27   55                                       
CONECT   14   33   35   56   57                                       
CONECT   15   32   41   58   59                                       
CONECT   16   17   36   60   61                                       
CONECT   17   16   18   19   62                                       
CONECT   18   17   63   64   65                                       
CONECT   19   17   66   67   68                                       
CONECT   20   21   36   69   70                                       
CONECT   21   20   22   40   71                                       
CONECT   22   21   25   37   72                                       
CONECT   23   37   42   42   43                                       
CONECT   24   29   34   73   74                                       
CONECT   25   12   22   75   76                                       
CONECT   26   11   28   28   77                                       
CONECT   27   13   13   28   78                                       
CONECT   28   26   26   27   79                                       
CONECT   29   24   34   80   81                                       
CONECT   30    2    6    6   45                                       
CONECT   31   32   35   43   82                                       
CONECT   32   15   31   33   83                                       
CONECT   33    7   14   32   84                                       
CONECT   34    9   24   29   85                                       
CONECT   35   10   14   31   86                                       
CONECT   36   16   20   46                                            
CONECT   37   22   23   87                                            
CONECT   38    7   10                                                 
CONECT   39   46   46                                                 
CONECT   40   21   88                                                 
CONECT   41    7   15                                                 
CONECT   42   23   23                                                 
CONECT   43   23   31                                                 
CONECT   44   46   46                                                 
CONECT   45    1   30                                                 
CONECT   46    5   36   39   39                                       
CONECT   46   44   44                                                 
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   37                                                      
CONECT   88   40                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
