COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.352   1.030   4.904  1.00  0.00           C  
HETATM    2  O   UNL     1       4.648  -0.212   4.872  1.00  0.00           O  
HETATM    3  C   UNL     1       3.674  -0.109   3.831  1.00  0.00           C  
HETATM    4  C   UNL     1       4.280  -0.598   2.510  1.00  0.00           C  
HETATM    5  C   UNL     1       3.183  -0.636   1.443  1.00  0.00           C  
HETATM    6  O   UNL     1       2.158  -1.547   1.836  1.00  0.00           O  
HETATM    7  C   UNL     1       1.505  -0.995   2.977  1.00  0.00           C  
HETATM    8  C   UNL     1       0.277  -1.842   3.320  1.00  0.00           C  
HETATM    9  C   UNL     1       2.462  -0.983   4.172  1.00  0.00           C  
HETATM   10  O   UNL     1       1.779  -0.446   5.336  1.00  0.00           O  
HETATM   11  C   UNL     1       1.116  -1.269   6.164  1.00  0.00           C  
HETATM   12  O   UNL     1       1.087  -2.456   5.940  1.00  0.00           O  
HETATM   13  C   UNL     1       0.408  -0.711   7.372  1.00  0.00           C  
HETATM   14  O   UNL     1       2.624   0.669   1.290  1.00  0.00           O  
HETATM   15  C   UNL     1       1.928   0.677   0.040  1.00  0.00           C  
HETATM   16  C   UNL     1       2.911   0.976  -1.092  1.00  0.00           C  
HETATM   17  C   UNL     1       2.734  -0.038  -2.193  1.00  0.00           C  
HETATM   18  O   UNL     1       2.704  -1.217  -1.917  1.00  0.00           O  
HETATM   19  O   UNL     1       2.609   0.363  -3.463  1.00  0.00           O  
HETATM   20  C   UNL     1       2.356  -0.592  -4.525  1.00  0.00           C  
HETATM   21  C   UNL     1       3.653  -1.343  -4.851  1.00  0.00           C  
HETATM   22  C   UNL     1       1.875   0.129  -5.783  1.00  0.00           C  
HETATM   23  C   UNL     1       2.450   1.540  -5.838  1.00  0.00           C  
HETATM   24  C   UNL     1       0.353   0.116  -5.876  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.070  -1.270  -5.996  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.046  -1.878  -7.192  1.00  0.00           C  
HETATM   27  O   UNL     1       0.326  -1.274  -8.170  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.486  -3.315  -7.316  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.315   0.789  -4.686  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.658   0.182  -4.386  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.050  -0.806  -4.957  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.583   0.789  -3.355  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.990   0.624  -3.651  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.475   1.949  -3.768  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.214   0.570  -1.893  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.171   1.580  -1.422  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.837   2.930  -1.151  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.530   1.069  -0.128  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.385   1.367   0.980  1.00  0.00           O  
HETATM   40  C   UNL     1      -1.968   0.130   1.396  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.902  -0.308   0.411  1.00  0.00           O  
HETATM   42  C   UNL     1      -3.323  -1.622   0.772  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.178  -2.209  -0.352  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.148  -1.566   2.060  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.274  -1.008   3.189  1.00  0.00           C  
HETATM   46  N   UNL     1      -4.093  -0.806   4.392  1.00  0.00           N  
HETATM   47  C   UNL     1      -5.291  -0.070   3.968  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.545  -2.136   4.823  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.683   0.330   2.734  1.00  0.00           C  
HETATM   50  O   UNL     1      -1.735   0.804   3.726  1.00  0.00           O  
HETATM   51  C   UNL     1      -1.546   2.122   3.897  1.00  0.00           C  
HETATM   52  O   UNL     1      -2.165   2.914   3.226  1.00  0.00           O  
HETATM   53  C   UNL     1      -0.562   2.615   4.927  1.00  0.00           C  
HETATM   54  C   UNL     1       0.827   1.739   0.081  1.00  0.00           C  
HETATM   55  C   UNL     1       0.843   2.424   1.449  1.00  0.00           C  
HETATM   56  C   UNL     1      -0.537   2.277  -5.008  1.00  0.00           C  
HETATM   57  C   UNL     1       4.340   0.902  -0.553  1.00  0.00           C  
HETATM   58  H   UNL     1       6.109   0.998   5.687  1.00  0.00           H  
HETATM   59  H   UNL     1       5.832   1.200   3.940  1.00  0.00           H  
HETATM   60  H   UNL     1       4.651   1.839   5.109  1.00  0.00           H  
HETATM   61  H   UNL     1       3.359   0.928   3.727  1.00  0.00           H  
HETATM   62  H   UNL     1       5.070   0.083   2.197  1.00  0.00           H  
HETATM   63  H   UNL     1       4.691  -1.598   2.646  1.00  0.00           H  
HETATM   64  H   UNL     1       3.612  -0.960   0.495  1.00  0.00           H  
HETATM   65  H   UNL     1       1.191   0.024   2.757  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.342  -1.958   2.431  1.00  0.00           H  
HETATM   67  H   UNL     1       0.599  -2.823   3.670  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.298  -1.347   4.102  1.00  0.00           H  
HETATM   69  H   UNL     1       2.796  -1.999   4.382  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.070  -1.524   7.919  1.00  0.00           H  
HETATM   71  H   UNL     1       1.130  -0.213   8.018  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.347   0.005   7.051  1.00  0.00           H  
HETATM   73  H   UNL     1       1.477  -0.305  -0.118  1.00  0.00           H  
HETATM   74  H   UNL     1       2.723   1.976  -1.484  1.00  0.00           H  
HETATM   75  H   UNL     1       1.602  -1.307  -4.196  1.00  0.00           H  
HETATM   76  H   UNL     1       4.006  -1.863  -3.960  1.00  0.00           H  
HETATM   77  H   UNL     1       3.464  -2.068  -5.643  1.00  0.00           H  
HETATM   78  H   UNL     1       4.411  -0.633  -5.182  1.00  0.00           H  
HETATM   79  H   UNL     1       2.261  -0.428  -6.655  1.00  0.00           H  
HETATM   80  H   UNL     1       3.537   1.492  -5.768  1.00  0.00           H  
HETATM   81  H   UNL     1       2.167   2.011  -6.780  1.00  0.00           H  
HETATM   82  H   UNL     1       2.058   2.125  -5.007  1.00  0.00           H  
HETATM   83  H   UNL     1       0.048   0.639  -6.792  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.398  -3.633  -8.355  1.00  0.00           H  
HETATM   85  H   UNL     1       0.145  -3.943  -6.689  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.523  -3.406  -6.995  1.00  0.00           H  
HETATM   87  H   UNL     1       0.316   0.712  -3.802  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.781   2.677  -3.018  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.358   2.357  -4.779  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.815  -0.441  -1.774  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.111   0.664  -1.275  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.398   1.698  -2.178  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.296   3.300  -2.069  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.604   2.810  -0.386  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.088   3.643  -0.807  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.393  -0.008  -0.196  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.185  -0.618   1.512  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.449  -2.253   0.929  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.591  -2.254  -1.269  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.501  -3.213  -0.077  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.052  -1.577  -0.512  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.012  -0.917   1.912  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.485  -2.570   2.321  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.469  -1.709   3.408  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.863   0.229   4.847  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.994   0.816   3.408  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.907  -0.710   3.336  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.180  -2.036   5.703  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.110  -2.606   4.018  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.680  -2.752   5.068  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.484   1.060   2.616  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.545   3.704   4.921  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.860   2.261   5.913  1.00  0.00           H  
HETATM  114  H   UNL     1       0.431   2.235   4.690  1.00  0.00           H  
HETATM  115  H   UNL     1       1.004   2.481  -0.689  1.00  0.00           H  
HETATM  116  H   UNL     1       1.840   2.820   1.645  1.00  0.00           H  
HETATM  117  H   UNL     1       0.121   3.240   1.456  1.00  0.00           H  
HETATM  118  H   UNL     1       0.582   1.701   2.221  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.993   2.770  -4.149  1.00  0.00           H  
HETATM  120  H   UNL     1       0.420   2.747  -5.230  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.196   2.368  -5.871  1.00  0.00           H  
HETATM  122  H   UNL     1       5.034   1.259  -1.314  1.00  0.00           H  
HETATM  123  H   UNL     1       4.426   1.526   0.337  1.00  0.00           H  
HETATM  124  H   UNL     1       4.580  -0.129  -0.298  1.00  0.00           H  
CONECT    1    2   58   59   60                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    9   61                                       
CONECT    4    3    5   62   63                                       
CONECT    5    4    6   14   64                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    9   65                                       
CONECT    8    7   66   67   68                                       
CONECT    9    3    7   10   69                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   70   71   72                                       
CONECT   14    5   15                                                 
CONECT   15   14   16   54   73                                       
CONECT   16   15   17   57   74                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20                                                 
CONECT   20   19   21   22   75                                       
CONECT   21   20   76   77   78                                       
CONECT   22   20   23   24   79                                       
CONECT   23   22   80   81   82                                       
CONECT   24   22   25   29   83                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   84   85   86                                       
CONECT   29   24   30   56   87                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   34   35                                       
CONECT   33   32   34                                                 
CONECT   34   32   33   88   89                                       
CONECT   35   32   36   90   91                                       
CONECT   36   35   37   38   92                                       
CONECT   37   36   93   94   95                                       
CONECT   38   36   39   54   96                                       
CONECT   39   38   40                                                 
CONECT   40   39   41   49   97                                       
CONECT   41   40   42                                                 
CONECT   42   41   43   44   98                                       
CONECT   43   42   99  100  101                                       
CONECT   44   42   45  102  103                                       
CONECT   45   44   46   49  104                                       
CONECT   46   45   47   48                                            
CONECT   47   46  105  106  107                                       
CONECT   48   46  108  109  110                                       
CONECT   49   40   45   50  111                                       
CONECT   50   49   51                                                 
CONECT   51   50   52   52   53                                       
CONECT   52   51   51                                                 
CONECT   53   51  112  113  114                                       
CONECT   54   15   38   55  115                                       
CONECT   55   54  116  117  118                                       
CONECT   56   29  119  120  121                                       
CONECT   57   16  122  123  124                                       
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   13                                                      
CONECT   73   15                                                      
CONECT   74   16                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   24                                                      
CONECT   84   28                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   40                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   43                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   44                                                      
CONECT  104   45                                                      
CONECT  105   47                                                      
CONECT  106   47                                                      
CONECT  107   47                                                      
CONECT  108   48                                                      
CONECT  109   48                                                      
CONECT  110   48                                                      
CONECT  111   49                                                      
CONECT  112   53                                                      
CONECT  113   53                                                      
CONECT  114   53                                                      
CONECT  115   54                                                      
CONECT  116   55                                                      
CONECT  117   55                                                      
CONECT  118   55                                                      
CONECT  119   56                                                      
CONECT  120   56                                                      
CONECT  121   56                                                      
CONECT  122   57                                                      
CONECT  123   57                                                      
CONECT  124   57                                                      
MASTER        0    0    0    0    0    0    0    0  124    0  124    0
END
