COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -0.615   3.715   0.094  1.00  0.00           P  
HETATM    2  C   UNL     1     -19.238  -3.462   1.526  1.00  0.00           C  
HETATM    3  C   UNL     1     -17.860  -3.096   2.082  1.00  0.00           C  
HETATM    4  C   UNL     1     -16.891  -2.850   0.924  1.00  0.00           C  
HETATM    5  C   UNL     1     -15.514  -2.484   1.481  1.00  0.00           C  
HETATM    6  C   UNL     1     -14.545  -2.237   0.322  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.167  -1.872   0.879  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.198  -1.625  -0.279  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.821  -1.259   0.277  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.852  -1.012  -0.881  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.475  -0.647  -0.324  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.506  -0.400  -1.483  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.128  -0.034  -0.926  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.160   0.213  -2.084  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.782   0.578  -1.528  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.828   0.821  -2.669  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.690   1.377  -3.564  1.00  0.00           C  
HETATM   18  C   UNL     1       0.714   1.749  -3.083  1.00  0.00           C  
HETATM   19  C   UNL     1       0.628   2.954  -2.145  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.361   3.846   2.114  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.418   2.981   2.803  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.962   3.720   4.027  1.00  0.00           C  
HETATM   23  C   UNL     1       2.632   0.498  -2.422  1.00  0.00           C  
HETATM   24  C   UNL     1       3.307  -0.645  -1.710  1.00  0.00           C  
HETATM   25  C   UNL     1       4.820  -0.556  -1.923  1.00  0.00           C  
HETATM   26  C   UNL     1       5.506  -1.717  -1.199  1.00  0.00           C  
HETATM   27  C   UNL     1       7.018  -1.628  -1.412  1.00  0.00           C  
HETATM   28  C   UNL     1       7.704  -2.788  -0.689  1.00  0.00           C  
HETATM   29  C   UNL     1       9.217  -2.699  -0.902  1.00  0.00           C  
HETATM   30  C   UNL     1       9.903  -3.860  -0.178  1.00  0.00           C  
HETATM   31  C   UNL     1      11.393  -3.772  -0.388  1.00  0.00           C  
HETATM   32  C   UNL     1      12.199  -3.749   0.644  1.00  0.00           C  
HETATM   33  C   UNL     1      13.689  -3.661   0.435  1.00  0.00           C  
HETATM   34  C   UNL     1      14.243  -2.463   1.207  1.00  0.00           C  
HETATM   35  C   UNL     1      15.755  -2.374   0.995  1.00  0.00           C  
HETATM   36  O   UNL     1       3.292   1.302  -3.037  1.00  0.00           O  
HETATM   37  C   UNL     1      16.310  -1.175   1.768  1.00  0.00           C  
HETATM   38  C   UNL     1      17.822  -1.086   1.555  1.00  0.00           C  
HETATM   39  C   UNL     1      18.376   0.112   2.328  1.00  0.00           C  
HETATM   40  O   UNL     1       1.296   0.624  -2.374  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.281   2.667  -1.081  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.079   4.989  -0.498  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.770   3.111   1.040  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.862   2.867   4.737  1.00  0.00           O  
HETATM   45  O   UNL     1      -4.486   2.718   1.891  1.00  0.00           O  
HETATM   46  O   UNL     1       0.710   3.981   0.969  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.553   1.158  -2.417  1.00  0.00           O  
HETATM   48  O   UNL     1      -3.210   0.713  -3.810  1.00  0.00           O  
HETATM   49  C   UNL     1     -20.206  -3.709   2.684  1.00  0.00           C  
HETATM   50  H   UNL     1     -19.609  -2.644   0.909  1.00  0.00           H  
HETATM   51  H   UNL     1     -19.157  -4.365   0.921  1.00  0.00           H  
HETATM   52  H   UNL     1     -17.941  -2.193   2.687  1.00  0.00           H  
HETATM   53  H   UNL     1     -17.488  -3.915   2.699  1.00  0.00           H  
HETATM   54  H   UNL     1     -16.811  -3.753   0.319  1.00  0.00           H  
HETATM   55  H   UNL     1     -17.263  -2.031   0.308  1.00  0.00           H  
HETATM   56  H   UNL     1     -15.594  -1.581   2.086  1.00  0.00           H  
HETATM   57  H   UNL     1     -15.142  -3.302   2.097  1.00  0.00           H  
HETATM   58  H   UNL     1     -14.464  -3.140  -0.283  1.00  0.00           H  
HETATM   59  H   UNL     1     -14.917  -1.419  -0.294  1.00  0.00           H  
HETATM   60  H   UNL     1     -13.248  -0.968   1.484  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.796  -2.690   1.495  1.00  0.00           H  
HETATM   62  H   UNL     1     -12.118  -2.528  -0.884  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.570  -0.806  -0.896  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.902  -0.356   0.882  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.449  -2.078   0.894  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.772  -1.916  -1.486  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.224  -0.194  -1.497  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.555   0.256   0.280  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.103  -1.465   0.292  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.425  -1.303  -2.088  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.878   0.419  -2.099  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.209   0.869  -0.321  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.757  -0.853  -0.310  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.079  -0.691  -2.689  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.531   1.031  -2.701  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.863   1.481  -0.923  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.410  -0.240  -0.911  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.093   2.187  -4.172  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.641   0.466  -4.161  1.00  0.00           H  
HETATM   80  H   UNL     1       1.337   2.000  -3.941  1.00  0.00           H  
HETATM   81  H   UNL     1       1.615   3.165  -1.733  1.00  0.00           H  
HETATM   82  H   UNL     1       0.274   3.823  -2.701  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.829   4.749   1.721  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.590   4.121   2.833  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.968   2.039   3.117  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.135   3.999   4.681  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.489   4.618   3.705  1.00  0.00           H  
HETATM   88  H   UNL     1       3.087  -0.590  -0.644  1.00  0.00           H  
HETATM   89  H   UNL     1       2.939  -1.590  -2.109  1.00  0.00           H  
HETATM   90  H   UNL     1       5.041  -0.611  -2.989  1.00  0.00           H  
HETATM   91  H   UNL     1       5.188   0.389  -1.524  1.00  0.00           H  
HETATM   92  H   UNL     1       5.285  -1.662  -0.133  1.00  0.00           H  
HETATM   93  H   UNL     1       5.138  -2.662  -1.598  1.00  0.00           H  
HETATM   94  H   UNL     1       7.239  -1.682  -2.478  1.00  0.00           H  
HETATM   95  H   UNL     1       7.386  -0.682  -1.013  1.00  0.00           H  
HETATM   96  H   UNL     1       7.484  -2.733   0.377  1.00  0.00           H  
HETATM   97  H   UNL     1       7.336  -3.733  -1.088  1.00  0.00           H  
HETATM   98  H   UNL     1       9.438  -2.754  -1.968  1.00  0.00           H  
HETATM   99  H   UNL     1       9.585  -1.754  -0.503  1.00  0.00           H  
HETATM  100  H   UNL     1       9.682  -3.805   0.888  1.00  0.00           H  
HETATM  101  H   UNL     1       9.535  -4.805  -0.577  1.00  0.00           H  
HETATM  102  H   UNL     1      11.795  -3.728  -1.389  1.00  0.00           H  
HETATM  103  H   UNL     1      11.796  -3.792   1.645  1.00  0.00           H  
HETATM  104  H   UNL     1      14.161  -4.575   0.794  1.00  0.00           H  
HETATM  105  H   UNL     1      13.900  -3.537  -0.628  1.00  0.00           H  
HETATM  106  H   UNL     1      13.771  -1.548   0.848  1.00  0.00           H  
HETATM  107  H   UNL     1      14.032  -2.586   2.270  1.00  0.00           H  
HETATM  108  H   UNL     1      16.228  -3.288   1.355  1.00  0.00           H  
HETATM  109  H   UNL     1      15.966  -2.250  -0.068  1.00  0.00           H  
HETATM  110  H   UNL     1      15.838  -0.261   1.408  1.00  0.00           H  
HETATM  111  H   UNL     1      16.099  -1.299   2.830  1.00  0.00           H  
HETATM  112  H   UNL     1      18.294  -2.000   1.915  1.00  0.00           H  
HETATM  113  H   UNL     1      18.033  -0.962   0.493  1.00  0.00           H  
HETATM  114  H   UNL     1      17.904   1.026   1.968  1.00  0.00           H  
HETATM  115  H   UNL     1      18.166  -0.012   3.390  1.00  0.00           H  
HETATM  116  H   UNL     1      -5.247   3.271   5.527  1.00  0.00           H  
HETATM  117  H   UNL     1      -4.933   3.513   1.570  1.00  0.00           H  
HETATM  118  H   UNL     1       1.071   3.187   1.388  1.00  0.00           H  
HETATM  119  H   UNL     1     -20.287  -2.806   3.289  1.00  0.00           H  
HETATM  120  H   UNL     1     -21.188  -3.969   2.287  1.00  0.00           H  
HETATM  121  H   UNL     1     -19.835  -4.527   3.301  1.00  0.00           H  
HETATM  122  C   UNL     1      19.889   0.201   2.115  1.00  0.00           C  
HETATM  123  C   UNL     1      20.443   1.400   2.888  1.00  0.00           C  
HETATM  124  H   UNL     1      20.361  -0.713   2.475  1.00  0.00           H  
HETATM  125  H   UNL     1      20.100   0.325   1.053  1.00  0.00           H  
HETATM  126  H   UNL     1      19.971   2.314   2.528  1.00  0.00           H  
HETATM  127  H   UNL     1      20.232   1.276   3.950  1.00  0.00           H  
HETATM  128  H   UNL     1      21.521   1.463   2.737  1.00  0.00           H  
CONECT    1   42   42   41   43                                       
CONECT    1   46                                                      
CONECT    2    3   49   50   51                                       
CONECT    3    4    2   52   53                                       
CONECT    4    5    3   54   55                                       
CONECT    5    4    6   56   57                                       
CONECT    6    5    7   58   59                                       
CONECT    7    8    6   60   61                                       
CONECT    8    9    7   62   63                                       
CONECT    9   10    8   64   65                                       
CONECT   10    9   11   66   67                                       
CONECT   11   10   12   68   69                                       
CONECT   12   11   13   70   71                                       
CONECT   13   12   14   72   73                                       
CONECT   14   13   15   74   75                                       
CONECT   15   14   16   76   77                                       
CONECT   16   15   48   48   47                                       
CONECT   17   47   18   78   79                                       
CONECT   18   17   40   19   80                                       
CONECT   19   18   41   81   82                                       
CONECT   20   43   21   83   84                                       
CONECT   21   20   22   45   85                                       
CONECT   22   21   44   86   87                                       
CONECT   23   36   36   40   24                                       
CONECT   24   23   25   88   89                                       
CONECT   25   24   26   90   91                                       
CONECT   26   25   27   92   93                                       
CONECT   27   26   28   94   95                                       
CONECT   28   27   29   96   97                                       
CONECT   29   28   30   98   99                                       
CONECT   30   29   31  100  101                                       
CONECT   31   30   32   32  102                                       
CONECT   32   31   31   33  103                                       
CONECT   33   32   34  104  105                                       
CONECT   34   33   35  106  107                                       
CONECT   35   34   37  108  109                                       
CONECT   36   23   23                                                 
CONECT   37   35   38  110  111                                       
CONECT   38   37   39  112  113                                       
CONECT   39   38  114  115  122                                       
CONECT   40   18   23                                                 
CONECT   41   19    1                                                 
CONECT   42    1    1                                                 
CONECT   43    1   20                                                 
CONECT   44   22  116                                                 
CONECT   45   21  117                                                 
CONECT   46    1  118                                                 
CONECT   47   16   17                                                 
CONECT   48   16   16                                                 
CONECT   49    2  119  120  121                                       
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   11                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   15                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   18                                                      
CONECT   81   19                                                      
CONECT   82   19                                                      
CONECT   83   20                                                      
CONECT   84   20                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   22                                                      
CONECT   88   24                                                      
CONECT   89   24                                                      
CONECT   90   25                                                      
CONECT   91   25                                                      
CONECT   92   26                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   28                                                      
CONECT   98   29                                                      
CONECT   99   29                                                      
CONECT  100   30                                                      
CONECT  101   30                                                      
CONECT  102   31                                                      
CONECT  103   32                                                      
CONECT  104   33                                                      
CONECT  105   33                                                      
CONECT  106   34                                                      
CONECT  107   34                                                      
CONECT  108   35                                                      
CONECT  109   35                                                      
CONECT  110   37                                                      
CONECT  111   37                                                      
CONECT  112   38                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
CONECT  115   39                                                      
CONECT  116   44                                                      
CONECT  117   45                                                      
CONECT  118   46                                                      
CONECT  119   49                                                      
CONECT  120   49                                                      
CONECT  121   49                                                      
CONECT  122   39  123  124  125                                       
CONECT  123  122  126  127  128                                       
CONECT  124  122                                                      
CONECT  125  122                                                      
CONECT  126  123                                                      
CONECT  127  123                                                      
CONECT  128  123                                                      
MASTER        0    0    0    0    0    0    0    0  128    0  128    0
END
