COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -12.965   1.544   1.277  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.334   0.159   1.117  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.628  -0.229   2.418  1.00  0.00           C  
HETATM    4  C   UNL     1     -13.428  -0.865   0.809  1.00  0.00           C  
HETATM    5  C   UNL     1     -13.950  -0.608  -0.609  1.00  0.00           C  
HETATM    6  O   UNL     1     -15.095  -1.427  -0.855  1.00  0.00           O  
HETATM    7  C   UNL     1     -12.844  -0.961  -1.606  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.558  -0.297  -1.205  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.464  -0.186  -2.236  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.331   0.195   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.070   0.789   0.255  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.930   0.069   0.078  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.678   0.689   0.218  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.597   2.154   0.564  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.533  -0.035   0.041  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.284   0.583   0.180  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.129  -0.148   0.001  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.882   0.470   0.141  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.802   1.934   0.487  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.726  -0.262  -0.039  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.481   0.355   0.101  1.00  0.00           C  
HETATM   22  C   UNL     1       0.677  -0.378  -0.079  1.00  0.00           C  
HETATM   23  C   UNL     1       1.922   0.238   0.061  1.00  0.00           C  
HETATM   24  C   UNL     1       3.080  -0.495  -0.119  1.00  0.00           C  
HETATM   25  C   UNL     1       2.999  -1.959  -0.465  1.00  0.00           C  
HETATM   26  C   UNL     1       4.324   0.122   0.020  1.00  0.00           C  
HETATM   27  C   UNL     1       5.483  -0.612  -0.160  1.00  0.00           C  
HETATM   28  C   UNL     1       6.726   0.004  -0.020  1.00  0.00           C  
HETATM   29  C   UNL     1       7.885  -0.729  -0.200  1.00  0.00           C  
HETATM   30  C   UNL     1       7.805  -2.194  -0.546  1.00  0.00           C  
HETATM   31  C   UNL     1       9.128  -0.113  -0.061  1.00  0.00           C  
HETATM   32  C   UNL     1      10.288  -0.847  -0.241  1.00  0.00           C  
HETATM   33  C   UNL     1      11.530  -0.245  -0.047  1.00  0.00           C  
HETATM   34  C   UNL     1      11.856   0.891  -0.760  1.00  0.00           C  
HETATM   35  C   UNL     1      10.862   1.455  -1.742  1.00  0.00           C  
HETATM   36  C   UNL     1      13.081   1.527  -0.590  1.00  0.00           C  
HETATM   37  O   UNL     1      13.334   2.528  -1.234  1.00  0.00           O  
HETATM   38  C   UNL     1      14.097   0.989   0.383  1.00  0.00           C  
HETATM   39  C   UNL     1      13.373   0.273   1.526  1.00  0.00           C  
HETATM   40  C   UNL     1      12.499  -0.840   0.941  1.00  0.00           C  
HETATM   41  C   UNL     1      13.380  -1.872   0.235  1.00  0.00           C  
HETATM   42  C   UNL     1      11.722  -1.518   2.072  1.00  0.00           C  
HETATM   43  H   UNL     1     -13.685   1.523   2.095  1.00  0.00           H  
HETATM   44  H   UNL     1     -12.187   2.275   1.496  1.00  0.00           H  
HETATM   45  H   UNL     1     -13.473   1.820   0.353  1.00  0.00           H  
HETATM   46  H   UNL     1     -12.365  -0.336   3.214  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.103  -1.174   2.279  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.912   0.547   2.688  1.00  0.00           H  
HETATM   49  H   UNL     1     -13.016  -1.872   0.871  1.00  0.00           H  
HETATM   50  H   UNL     1     -14.243  -0.756   1.525  1.00  0.00           H  
HETATM   51  H   UNL     1     -14.222   0.442  -0.715  1.00  0.00           H  
HETATM   52  H   UNL     1     -15.477  -1.315  -1.736  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.703  -2.041  -1.623  1.00  0.00           H  
HETATM   54  H   UNL     1     -13.130  -0.618  -2.600  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.820  -0.582  -3.187  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.186   0.861  -2.359  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.595  -0.756  -1.907  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.013   1.815   0.588  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.988  -0.981  -0.170  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.572   2.270   1.648  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.691   2.580   0.132  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.469   2.671   0.163  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.591  -1.085  -0.208  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.226   1.633   0.429  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.187  -1.197  -0.247  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.777   2.051   1.571  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.896   2.360   0.055  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.673   2.451   0.086  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.784  -1.312  -0.287  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.423   1.404   0.349  1.00  0.00           H  
HETATM   71  H   UNL     1       0.619  -1.427  -0.327  1.00  0.00           H  
HETATM   72  H   UNL     1       1.980   1.288   0.309  1.00  0.00           H  
HETATM   73  H   UNL     1       2.974  -2.075  -1.549  1.00  0.00           H  
HETATM   74  H   UNL     1       3.871  -2.476  -0.064  1.00  0.00           H  
HETATM   75  H   UNL     1       2.094  -2.385  -0.033  1.00  0.00           H  
HETATM   76  H   UNL     1       4.382   1.171   0.268  1.00  0.00           H  
HETATM   77  H   UNL     1       5.425  -1.661  -0.408  1.00  0.00           H  
HETATM   78  H   UNL     1       6.784   1.054   0.228  1.00  0.00           H  
HETATM   79  H   UNL     1       7.780  -2.310  -1.630  1.00  0.00           H  
HETATM   80  H   UNL     1       8.676  -2.711  -0.145  1.00  0.00           H  
HETATM   81  H   UNL     1       6.899  -2.620  -0.114  1.00  0.00           H  
HETATM   82  H   UNL     1       9.186   0.936   0.187  1.00  0.00           H  
HETATM   83  H   UNL     1      10.230  -1.886  -0.531  1.00  0.00           H  
HETATM   84  H   UNL     1      10.218   2.174  -1.235  1.00  0.00           H  
HETATM   85  H   UNL     1      11.395   1.954  -2.552  1.00  0.00           H  
HETATM   86  H   UNL     1      10.255   0.647  -2.149  1.00  0.00           H  
HETATM   87  H   UNL     1      14.755   0.287  -0.129  1.00  0.00           H  
HETATM   88  H   UNL     1      14.687   1.813   0.785  1.00  0.00           H  
HETATM   89  H   UNL     1      14.106  -0.159   2.208  1.00  0.00           H  
HETATM   90  H   UNL     1      12.747   0.984   2.064  1.00  0.00           H  
HETATM   91  H   UNL     1      13.933  -1.388  -0.569  1.00  0.00           H  
HETATM   92  H   UNL     1      14.080  -2.302   0.951  1.00  0.00           H  
HETATM   93  H   UNL     1      12.753  -2.662  -0.179  1.00  0.00           H  
HETATM   94  H   UNL     1      11.190  -2.384   1.678  1.00  0.00           H  
HETATM   95  H   UNL     1      12.417  -1.840   2.847  1.00  0.00           H  
HETATM   96  H   UNL     1      11.007  -0.813   2.495  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2   10    3    1    4                                       
CONECT    3    2   46   47   48                                       
CONECT    4    2    5   49   50                                       
CONECT    5    7    4    6   51                                       
CONECT    6    5   52                                                 
CONECT    7    8    5   53   54                                       
CONECT    8    9   10   10    7                                       
CONECT    9    8   55   56   57                                       
CONECT   10   11    8    8    2                                       
CONECT   11   12   12   10   58                                       
CONECT   12   13   11   11   59                                       
CONECT   13   15   15   14   12                                       
CONECT   14   13   60   61   62                                       
CONECT   15   16   13   13   63                                       
CONECT   16   17   17   15   64                                       
CONECT   17   18   16   16   65                                       
CONECT   18   20   20   19   17                                       
CONECT   19   18   66   67   68                                       
CONECT   20   21   18   18   69                                       
CONECT   21   22   22   20   70                                       
CONECT   22   23   21   21   71                                       
CONECT   23   24   24   22   72                                       
CONECT   24   26   25   23   23                                       
CONECT   25   24   73   74   75                                       
CONECT   26   27   27   24   76                                       
CONECT   27   28   26   26   77                                       
CONECT   28   29   29   27   78                                       
CONECT   29   31   30   28   28                                       
CONECT   30   29   79   80   81                                       
CONECT   31   32   32   29   82                                       
CONECT   32   33   31   31   83                                       
CONECT   33   34   34   40   32                                       
CONECT   34   36   35   33   33                                       
CONECT   35   34   84   85   86                                       
CONECT   36   37   37   38   34                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   87   88                                       
CONECT   39   38   40   89   90                                       
CONECT   40   39   33   42   41                                       
CONECT   41   40   91   92   93                                       
CONECT   42   40   94   95   96                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   42                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
