COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.382   2.177  -2.285  1.00  0.00           C  
HETATM    2  O   UNL     1       8.245   1.756  -1.227  1.00  0.00           O  
HETATM    3  C   UNL     1       7.672   1.083  -0.193  1.00  0.00           C  
HETATM    4  C   UNL     1       6.310   0.829  -0.200  1.00  0.00           C  
HETATM    5  C   UNL     1       8.454   0.644   0.871  1.00  0.00           C  
HETATM    6  O   UNL     1       9.792   0.886   0.880  1.00  0.00           O  
HETATM    7  C   UNL     1      10.531   0.406   2.004  1.00  0.00           C  
HETATM    8  C   UNL     1       7.865  -0.041   1.922  1.00  0.00           C  
HETATM    9  C   UNL     1       6.505  -0.287   1.911  1.00  0.00           C  
HETATM   10  C   UNL     1       5.730   0.145   0.851  1.00  0.00           C  
HETATM   11  C   UNL     1       4.248  -0.130   0.842  1.00  0.00           C  
HETATM   12  C   UNL     1       3.983  -1.472   0.158  1.00  0.00           C  
HETATM   13  C   UNL     1       2.478  -1.752   0.149  1.00  0.00           C  
HETATM   14  O   UNL     1       1.814  -0.760  -0.674  1.00  0.00           O  
HETATM   15  C   UNL     1       1.341   0.327  -0.049  1.00  0.00           C  
HETATM   16  O   UNL     1       1.374   0.379   1.158  1.00  0.00           O  
HETATM   17  C   UNL     1       0.768   1.486  -0.824  1.00  0.00           C  
HETATM   18  C   UNL     1       1.882   2.512  -1.080  1.00  0.00           C  
HETATM   19  C   UNL     1       1.244   3.843  -1.476  1.00  0.00           C  
HETATM   20  C   UNL     1       0.469   4.448  -0.315  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.033   3.387   0.651  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.300   2.127  -0.049  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.527   1.567   0.023  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.761   0.530  -0.561  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.603   2.241   0.834  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.879   3.631   0.257  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.263   3.503  -1.219  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.539   4.893  -1.796  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.282   5.757  -1.669  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.899   5.885  -0.193  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.623   4.495   0.384  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.867   1.426   0.792  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.801   0.045   0.739  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.094   2.062   0.808  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.266   1.317   0.771  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.473   1.944   0.787  1.00  0.00           O  
HETATM   37  C   UNL     1      -7.461   3.372   0.842  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.202  -0.071   0.717  1.00  0.00           C  
HETATM   39  O   UNL     1      -7.347  -0.806   0.681  1.00  0.00           O  
HETATM   40  C   UNL     1      -7.884  -1.106  -0.609  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.966  -0.706   0.701  1.00  0.00           C  
HETATM   42  O   UNL     1      -4.905  -2.063   0.649  1.00  0.00           O  
HETATM   43  C   UNL     1      -3.622  -2.653   0.424  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.712  -4.171   0.600  1.00  0.00           C  
HETATM   45  O   UNL     1      -5.058  -4.596   0.379  1.00  0.00           O  
HETATM   46  C   UNL     1      -2.789  -4.859  -0.405  1.00  0.00           C  
HETATM   47  O   UNL     1      -3.310  -6.151  -0.722  1.00  0.00           O  
HETATM   48  C   UNL     1      -1.391  -5.008   0.195  1.00  0.00           C  
HETATM   49  O   UNL     1      -0.496  -5.509  -0.799  1.00  0.00           O  
HETATM   50  C   UNL     1       0.752  -4.970  -0.833  1.00  0.00           C  
HETATM   51  C   UNL     1       0.967  -3.685  -0.351  1.00  0.00           C  
HETATM   52  C   UNL     1       2.235  -3.140  -0.384  1.00  0.00           C  
HETATM   53  C   UNL     1       3.288  -3.873  -0.900  1.00  0.00           C  
HETATM   54  C   UNL     1       3.077  -5.153  -1.379  1.00  0.00           C  
HETATM   55  C   UNL     1       1.812  -5.702  -1.347  1.00  0.00           C  
HETATM   56  H   UNL     1       7.964   2.700  -3.043  1.00  0.00           H  
HETATM   57  H   UNL     1       6.903   1.305  -2.732  1.00  0.00           H  
HETATM   58  H   UNL     1       6.619   2.846  -1.887  1.00  0.00           H  
HETATM   59  H   UNL     1       5.702   1.165  -1.027  1.00  0.00           H  
HETATM   60  H   UNL     1      11.583   0.665   1.886  1.00  0.00           H  
HETATM   61  H   UNL     1      10.144   0.863   2.915  1.00  0.00           H  
HETATM   62  H   UNL     1      10.429  -0.678   2.070  1.00  0.00           H  
HETATM   63  H   UNL     1       8.470  -0.384   2.749  1.00  0.00           H  
HETATM   64  H   UNL     1       6.048  -0.821   2.731  1.00  0.00           H  
HETATM   65  H   UNL     1       3.879  -0.166   1.867  1.00  0.00           H  
HETATM   66  H   UNL     1       3.734   0.663   0.299  1.00  0.00           H  
HETATM   67  H   UNL     1       4.352  -1.436  -0.867  1.00  0.00           H  
HETATM   68  H   UNL     1       4.496  -2.266   0.701  1.00  0.00           H  
HETATM   69  H   UNL     1       2.096  -1.688   1.167  1.00  0.00           H  
HETATM   70  H   UNL     1       0.369   1.147  -1.777  1.00  0.00           H  
HETATM   71  H   UNL     1       2.472   2.645  -0.173  1.00  0.00           H  
HETATM   72  H   UNL     1       2.525   2.161  -1.887  1.00  0.00           H  
HETATM   73  H   UNL     1       2.027   4.537  -1.783  1.00  0.00           H  
HETATM   74  H   UNL     1       0.564   3.678  -2.312  1.00  0.00           H  
HETATM   75  H   UNL     1       1.118   5.138   0.223  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.385   4.999  -0.709  1.00  0.00           H  
HETATM   77  H   UNL     1       0.721   3.217   1.419  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.952   3.737   1.121  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.270   2.339   1.867  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.698   4.097   0.806  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.444   3.038  -1.768  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.158   2.888  -1.310  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.812   4.802  -2.848  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.357   5.359  -1.247  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.464   5.291  -2.218  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.479   6.747  -2.080  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.004   6.500  -0.102  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.717   6.351   0.356  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.350   4.586   1.436  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.805   4.030  -0.165  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.841  -0.449   0.726  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.142   3.140   0.850  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.486   3.743   0.849  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.951   3.696   1.749  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.938   3.765  -0.030  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.794  -1.695  -0.496  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.115  -0.178  -1.132  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.153  -1.675  -1.184  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.291  -2.424  -0.589  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.907  -2.248   1.140  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.409  -4.437   1.613  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.701  -4.200   0.983  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.732  -4.259  -1.313  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.777  -6.645  -1.359  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.040  -4.036   0.543  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.429  -5.702   1.034  1.00  0.00           H  
HETATM  107  H   UNL     1       0.144  -3.113   0.051  1.00  0.00           H  
HETATM  108  H   UNL     1       4.279  -3.445  -0.929  1.00  0.00           H  
HETATM  109  H   UNL     1       3.902  -5.722  -1.779  1.00  0.00           H  
HETATM  110  H   UNL     1       1.648  -6.701  -1.722  1.00  0.00           H  
CONECT    1    2   56   57   58                                       
CONECT    2    1    3                                                 
CONECT    3    4    2    5    5                                       
CONECT    4   10   10    3   59                                       
CONECT    5    3    3    8    6                                       
CONECT    6    5    7                                                 
CONECT    7    6   60   61   62                                       
CONECT    8    9    9    5   63                                       
CONECT    9   10    8    8   64                                       
CONECT   10   11    4    4    9                                       
CONECT   11   10   12   65   66                                       
CONECT   12   11   13   67   68                                       
CONECT   13   12   52   14   69                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   22   18   70                                       
CONECT   18   17   19   71   72                                       
CONECT   19   20   18   73   74                                       
CONECT   20   21   19   75   76                                       
CONECT   21   22   20   77   78                                       
CONECT   22   23   21   17                                            
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   32   26   23   79                                       
CONECT   26   31   25   27   80                                       
CONECT   27   26   28   81   82                                       
CONECT   28   29   27   83   84                                       
CONECT   29   30   28   85   86                                       
CONECT   30   31   29   87   88                                       
CONECT   31   30   26   89   90                                       
CONECT   32   34   34   33   25                                       
CONECT   33   41   41   32   91                                       
CONECT   34   35   32   32   92                                       
CONECT   35   36   38   38   34                                       
CONECT   36   37   35                                                 
CONECT   37   36   93   94   95                                       
CONECT   38   39   35   35   41                                       
CONECT   39   40   38                                                 
CONECT   40   39   96   97   98                                       
CONECT   41   38   42   33   33                                       
CONECT   42   41   43                                                 
CONECT   43   42   44   99  100                                       
CONECT   44   45   46   43  101                                       
CONECT   45   44  102                                                 
CONECT   46   47   48   44  103                                       
CONECT   47   46  104                                                 
CONECT   48   46   49  105  106                                       
CONECT   49   48   50                                                 
CONECT   50   49   51   51   55                                       
CONECT   51   50   50   52  107                                       
CONECT   52   51   13   53   53                                       
CONECT   53   52   52   54  108                                       
CONECT   54   55   55   53  109                                       
CONECT   55   50   54   54  110                                       
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    4                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   37                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   40                                                      
CONECT   99   43                                                      
CONECT  100   43                                                      
CONECT  101   44                                                      
CONECT  102   45                                                      
CONECT  103   46                                                      
CONECT  104   47                                                      
CONECT  105   48                                                      
CONECT  106   48                                                      
CONECT  107   51                                                      
CONECT  108   53                                                      
CONECT  109   54                                                      
CONECT  110   55                                                      
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
