COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.079  -0.867  -3.450  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.762  -2.164  -3.231  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.036   0.089  -3.477  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.233  -0.526  -3.634  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.143   1.340  -3.023  1.00  0.00           C  
HETATM    6  O   UNL     1       1.944   5.170  -1.018  1.00  0.00           O  
HETATM    7  C   UNL     1       1.043   2.176  -2.872  1.00  0.00           C  
HETATM    8  O   UNL     1       2.393   2.217  -0.046  1.00  0.00           O  
HETATM    9  C   UNL     1       1.066   3.156  -1.976  1.00  0.00           C  
HETATM   10  O   UNL     1       4.967   1.842   0.897  1.00  0.00           O  
HETATM   11  C   UNL     1       2.312   3.967  -1.705  1.00  0.00           C  
HETATM   12  O   UNL     1       4.640  -0.890  -0.270  1.00  0.00           O  
HETATM   13  C   UNL     1       3.217   3.111  -0.807  1.00  0.00           C  
HETATM   14  O   UNL     1       2.344  -1.607   1.039  1.00  0.00           O  
HETATM   15  C   UNL     1       4.051   3.957   0.146  1.00  0.00           C  
HETATM   16  O   UNL     1       0.480  -3.374   0.577  1.00  0.00           O  
HETATM   17  C   UNL     1       4.501   3.108   1.335  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.989  -2.063  -1.690  1.00  0.00           O  
HETATM   19  C   UNL     1       5.609   3.843   2.062  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.689   1.457   0.390  1.00  0.00           O  
HETATM   21  C   UNL     1       6.181   3.132   3.027  1.00  0.00           C  
HETATM   22  O   UNL     1      -9.284  -0.339   1.712  1.00  0.00           O  
HETATM   23  C   UNL     1       5.626   1.742   3.213  1.00  0.00           C  
HETATM   24  C   UNL     1       5.533   1.011   1.884  1.00  0.00           C  
HETATM   25  O   UNL     1       5.337  -3.808   1.158  1.00  0.00           O  
HETATM   26  C   UNL     1       4.685  -0.256   2.065  1.00  0.00           C  
HETATM   27  C   UNL     1       5.080  -1.300   1.024  1.00  0.00           C  
HETATM   28  C   UNL     1       4.498  -2.669   1.369  1.00  0.00           C  
HETATM   29  C   UNL     1       2.996  -2.868   1.137  1.00  0.00           C  
HETATM   30  C   UNL     1       2.771  -3.716  -0.115  1.00  0.00           C  
HETATM   31  C   UNL     1       1.303  -3.749  -0.525  1.00  0.00           C  
HETATM   32  C   UNL     1       1.027  -2.906  -1.763  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.453  -2.539  -1.878  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.796  -1.374  -0.943  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.253  -0.959  -1.159  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.865  -0.534   0.177  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.363  -0.281  -0.006  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.999   0.022   1.353  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.497   0.275   1.170  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.155   0.457   2.540  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.642   0.769   2.346  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.780   2.014   1.465  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.059   1.772   0.136  1.00  0.00           C  
HETATM   44  C   UNL     1       2.243   1.937  -3.765  1.00  0.00           C  
HETATM   45  C   UNL     1       1.506   2.875   0.860  1.00  0.00           C  
HETATM   46  C   UNL     1       5.418  -1.421  -1.344  1.00  0.00           C  
HETATM   47  C   UNL     1       5.136  -3.445   2.522  1.00  0.00           C  
HETATM   48  C   UNL     1       1.614  -1.237   2.210  1.00  0.00           C  
HETATM   49  C   UNL     1       0.069  -4.471   1.395  1.00  0.00           C  
HETATM   50  C   UNL     1       1.873  -1.637  -1.792  1.00  0.00           C  
HETATM   51  C   UNL     1       0.122  -0.189  -1.247  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.188   0.748   0.664  1.00  0.00           C  
HETATM   53  C   UNL     1     -10.660  -0.493   2.065  1.00  0.00           C  
HETATM   54  C   UNL     1      -8.723   0.607  -0.600  1.00  0.00           C  
HETATM   55  H   UNL     1       0.899  -0.237  -3.932  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.114   1.746  -2.756  1.00  0.00           H  
HETATM   57  H   UNL     1       1.333   5.734  -1.512  1.00  0.00           H  
HETATM   58  H   UNL     1       0.163   3.382  -1.422  1.00  0.00           H  
HETATM   59  H   UNL     1       2.824   4.224  -2.626  1.00  0.00           H  
HETATM   60  H   UNL     1       3.889   2.520  -1.434  1.00  0.00           H  
HETATM   61  H   UNL     1       4.932   4.335  -0.378  1.00  0.00           H  
HETATM   62  H   UNL     1       3.467   4.798   0.518  1.00  0.00           H  
HETATM   63  H   UNL     1       3.664   2.982   2.024  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.996  -2.843  -1.119  1.00  0.00           H  
HETATM   65  H   UNL     1       5.905   4.852   1.816  1.00  0.00           H  
HETATM   66  H   UNL     1       6.986   3.522   3.634  1.00  0.00           H  
HETATM   67  H   UNL     1       6.275   1.184   3.887  1.00  0.00           H  
HETATM   68  H   UNL     1       4.631   1.807   3.655  1.00  0.00           H  
HETATM   69  H   UNL     1       6.543   0.704   1.579  1.00  0.00           H  
HETATM   70  H   UNL     1       4.855  -0.657   3.065  1.00  0.00           H  
HETATM   71  H   UNL     1       3.634   0.003   1.958  1.00  0.00           H  
HETATM   72  H   UNL     1       6.173  -1.383   1.007  1.00  0.00           H  
HETATM   73  H   UNL     1       2.589  -3.405   2.005  1.00  0.00           H  
HETATM   74  H   UNL     1       3.417  -3.395  -0.924  1.00  0.00           H  
HETATM   75  H   UNL     1       3.085  -4.749   0.120  1.00  0.00           H  
HETATM   76  H   UNL     1       1.048  -4.797  -0.777  1.00  0.00           H  
HETATM   77  H   UNL     1       1.292  -3.517  -2.647  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.064  -3.401  -1.609  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.657  -1.686   0.092  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.293  -0.125  -1.859  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.718  -1.325   0.913  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.510   0.568  -0.673  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.853  -0.827   2.020  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.949  -0.575   0.659  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.048  -0.460   3.120  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.676   1.281   3.068  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.105   0.953   3.315  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.836   2.211   1.276  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.334   2.870   1.971  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.118   2.671  -0.478  1.00  0.00           H  
HETATM   91  H   UNL     1       2.031   1.112  -4.444  1.00  0.00           H  
HETATM   92  H   UNL     1       2.451   2.838  -4.342  1.00  0.00           H  
HETATM   93  H   UNL     1       3.109   1.690  -3.151  1.00  0.00           H  
HETATM   94  H   UNL     1       2.076   3.542   1.507  1.00  0.00           H  
HETATM   95  H   UNL     1       0.774   3.453   0.297  1.00  0.00           H  
HETATM   96  H   UNL     1       0.992   2.131   1.469  1.00  0.00           H  
HETATM   97  H   UNL     1       6.432  -1.025  -1.288  1.00  0.00           H  
HETATM   98  H   UNL     1       5.449  -2.508  -1.268  1.00  0.00           H  
HETATM   99  H   UNL     1       4.969  -1.135  -2.295  1.00  0.00           H  
HETATM  100  H   UNL     1       4.490  -4.077   3.131  1.00  0.00           H  
HETATM  101  H   UNL     1       5.971  -2.978   3.044  1.00  0.00           H  
HETATM  102  H   UNL     1       1.148  -0.264   2.056  1.00  0.00           H  
HETATM  103  H   UNL     1       0.843  -1.982   2.408  1.00  0.00           H  
HETATM  104  H   UNL     1       2.294  -1.183   3.060  1.00  0.00           H  
HETATM  105  H   UNL     1       0.948  -4.968   1.805  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.554  -4.103   2.211  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.501  -5.179   0.794  1.00  0.00           H  
HETATM  108  H   UNL     1       2.929  -1.902  -1.729  1.00  0.00           H  
HETATM  109  H   UNL     1       1.689  -1.098  -2.722  1.00  0.00           H  
HETATM  110  H   UNL     1       1.607  -1.003  -0.946  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.482   0.692  -1.466  1.00  0.00           H  
HETATM  112  H   UNL     1       0.755   0.011  -0.382  1.00  0.00           H  
HETATM  113  H   UNL     1       0.747  -0.424  -2.108  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.101   1.451  -0.165  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.785   1.196   1.458  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.194   0.512   1.046  1.00  0.00           H  
HETATM  117  H   UNL     1     -11.075  -1.355   1.543  1.00  0.00           H  
HETATM  118  H   UNL     1     -10.745  -0.645   3.141  1.00  0.00           H  
HETATM  119  H   UNL     1     -11.211   0.404   1.781  1.00  0.00           H  
HETATM  120  H   UNL     1      -8.576  -0.312  -0.032  1.00  0.00           H  
HETATM  121  H   UNL     1      -9.790   0.803  -0.703  1.00  0.00           H  
HETATM  122  H   UNL     1      -8.276   0.499  -1.588  1.00  0.00           H  
HETATM  123  H   UNL     1      -4.831  -1.167  -0.436  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.531   0.908   1.783  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1   33                                                 
CONECT    3    1    5    5   55                                       
CONECT    4    1    1                                                 
CONECT    5    3    3    7   56                                       
CONECT    6   11   57                                                 
CONECT    7    5    9    9   44                                       
CONECT    8   13   45                                                 
CONECT    9    7    7   11   58                                       
CONECT   10   17   24                                                 
CONECT   11    6    9   13   59                                       
CONECT   12   27   46                                                 
CONECT   13    8   11   15   60                                       
CONECT   14   29   48                                                 
CONECT   15   13   17   61   62                                       
CONECT   16   31   49                                                 
CONECT   17   10   15   19   63                                       
CONECT   18   35   64                                                 
CONECT   19   17   21   21   65                                       
CONECT   20   39   43                                                 
CONECT   21   19   19   23   66                                       
CONECT   22   41   53                                                 
CONECT   23   21   24   67   68                                       
CONECT   24   10   23   26   69                                       
CONECT   25   28   47                                                 
CONECT   26   24   27   70   71                                       
CONECT   27   12   26   28   72                                       
CONECT   28   25   27   29   47                                       
CONECT   29   14   28   30   73                                       
CONECT   30   29   31   74   75                                       
CONECT   31   16   30   32   76                                       
CONECT   32   31   33   50   77                                       
CONECT   33    2   32   34   78                                       
CONECT   34   33   35   51   79                                       
CONECT   35   18   34   36   80                                       
CONECT   36   35   37   52   81                                       
CONECT   37   36   38   82  123                                       
CONECT   38   37   39   83  124                                       
CONECT   39   20   38   40   84                                       
CONECT   40   39   41   85   86                                       
CONECT   41   22   40   42   87                                       
CONECT   42   41   43   88   89                                       
CONECT   43   20   42   54   90                                       
CONECT   44    7   91   92   93                                       
CONECT   45    8   94   95   96                                       
CONECT   46   12   97   98   99                                       
CONECT   47   25   28  100  101                                       
CONECT   48   14  102  103  104                                       
CONECT   49   16  105  106  107                                       
CONECT   50   32  108  109  110                                       
CONECT   51   34  111  112  113                                       
CONECT   52   36  114  115  116                                       
CONECT   53   22  117  118  119                                       
CONECT   54   43  120  121  122                                       
CONECT   55    3                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   46                                                      
CONECT  100   47                                                      
CONECT  101   47                                                      
CONECT  102   48                                                      
CONECT  103   48                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   49                                                      
CONECT  107   49                                                      
CONECT  108   50                                                      
CONECT  109   50                                                      
CONECT  110   50                                                      
CONECT  111   51                                                      
CONECT  112   51                                                      
CONECT  113   51                                                      
CONECT  114   52                                                      
CONECT  115   52                                                      
CONECT  116   52                                                      
CONECT  117   53                                                      
CONECT  118   53                                                      
CONECT  119   53                                                      
CONECT  120   54                                                      
CONECT  121   54                                                      
CONECT  122   54                                                      
CONECT  123   37                                                      
CONECT  124   38                                                      
MASTER        0    0    0    0    0    0    0    0  124    0  124    0
END
