COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.711  -7.757  -0.458  1.00  0.00           C  
HETATM    2  N   UNL     1       1.783  -8.653  -0.049  1.00  0.00           N  
HETATM    3  O   UNL     1       2.353  -6.840  -1.184  1.00  0.00           O  
HETATM    4  C   UNL     1       6.240  -7.176   0.247  1.00  0.00           C  
HETATM    5  N   UNL     1       4.858  -8.901   0.332  1.00  0.00           N  
HETATM    6  O   UNL     1       6.314  -4.571  -0.201  1.00  0.00           O  
HETATM    7  C   UNL     1       4.986  -6.745  -0.182  1.00  0.00           C  
HETATM    8  N   UNL     1       7.432  -6.415   0.355  1.00  0.00           N  
HETATM    9  O   UNL     1       8.290  -0.409   0.450  1.00  0.00           O  
HETATM   10  C   UNL     1       6.139  -8.495   0.558  1.00  0.00           C  
HETATM   11  N   UNL     1       9.902  -4.644  -0.261  1.00  0.00           N  
HETATM   12  O   UNL     1       6.814   3.848  -0.071  1.00  0.00           O  
HETATM   13  C   UNL     1       4.388 -10.276   0.529  1.00  0.00           C  
HETATM   14  N   UNL     1      10.294  -1.083  -0.239  1.00  0.00           N  
HETATM   15  O   UNL     1       2.939   6.836  -0.710  1.00  0.00           O  
HETATM   16  C   UNL     1       4.124  -7.831  -0.110  1.00  0.00           C  
HETATM   17  N   UNL     1      10.989   1.902   0.049  1.00  0.00           N  
HETATM   18  O   UNL     1      -2.353   6.968   1.131  1.00  0.00           O  
HETATM   19  C   UNL     1       7.390  -5.109   0.007  1.00  0.00           C  
HETATM   20  N   UNL     1       8.854   2.274  -0.126  1.00  0.00           N  
HETATM   21  O   UNL     1      -6.293   4.544   0.020  1.00  0.00           O  
HETATM   22  C   UNL     1       9.862  -2.431  -0.210  1.00  0.00           C  
HETATM   23  N   UNL     1       8.857   4.713  -0.416  1.00  0.00           N  
HETATM   24  O   UNL     1      -8.294   0.380  -0.463  1.00  0.00           O  
HETATM   25  C   UNL     1      10.668  -3.517  -0.313  1.00  0.00           C  
HETATM   26  N   UNL     1       7.591   7.338   0.306  1.00  0.00           N  
HETATM   27  O   UNL     1      -6.838  -3.869  -0.011  1.00  0.00           O  
HETATM   28  C   UNL     1      10.444  -6.002  -0.367  1.00  0.00           C  
HETATM   29  N   UNL     1       5.671   6.486  -0.259  1.00  0.00           N  
HETATM   30  O   UNL     1      -2.992  -6.713   0.476  1.00  0.00           O  
HETATM   31  C   UNL     1       8.592  -4.279  -0.115  1.00  0.00           C  
HETATM   32  N   UNL     1       4.295   8.527  -0.157  1.00  0.00           N  
HETATM   33  C   UNL     1       8.550  -2.889  -0.090  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.828  -9.624   1.430  1.00  0.00           N  
HETATM   35  C   UNL     1       9.420  -0.114   0.097  1.00  0.00           C  
HETATM   36  N   UNL     1      -1.838   8.660  -0.212  1.00  0.00           N  
HETATM   37  C   UNL     1       9.459   3.447  -0.246  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.899   8.905  -0.467  1.00  0.00           N  
HETATM   39  C   UNL     1      10.804   3.240  -0.155  1.00  0.00           C  
HETATM   40  N   UNL     1      -7.443   6.389  -0.456  1.00  0.00           N  
HETATM   41  C   UNL     1      12.295   1.275   0.275  1.00  0.00           C  
HETATM   42  N   UNL     1      -9.872   4.621   0.284  1.00  0.00           N  
HETATM   43  C   UNL     1       9.764   1.316   0.021  1.00  0.00           C  
HETATM   44  N   UNL     1     -10.283   1.061   0.274  1.00  0.00           N  
HETATM   45  C   UNL     1       7.525   4.836  -0.172  1.00  0.00           C  
HETATM   46  N   UNL     1     -11.003  -1.914  -0.034  1.00  0.00           N  
HETATM   47  C   UNL     1       6.948   6.188  -0.041  1.00  0.00           C  
HETATM   48  N   UNL     1      -8.867  -2.303   0.082  1.00  0.00           N  
HETATM   49  C   UNL     1       5.479   7.784  -0.079  1.00  0.00           C  
HETATM   50  N   UNL     1      -8.873  -4.743   0.327  1.00  0.00           N  
HETATM   51  C   UNL     1       6.680   8.349   0.249  1.00  0.00           C  
HETATM   52  N   UNL     1      -7.573  -7.363  -0.429  1.00  0.00           N  
HETATM   53  C   UNL     1       8.989   7.517   0.712  1.00  0.00           C  
HETATM   54  N   UNL     1      -5.663  -6.479   0.117  1.00  0.00           N  
HETATM   55  C   UNL     1       3.079   7.978  -0.337  1.00  0.00           C  
HETATM   56  N   UNL     1      -4.248  -8.493  -0.013  1.00  0.00           N  
HETATM   57  C   UNL     1      -1.833  -8.776   0.230  1.00  0.00           C  
HETATM   58  N   UNL     1       1.973   9.263   1.392  1.00  0.00           N  
HETATM   59  C   UNL     1      -0.563  -7.926   0.208  1.00  0.00           C  
HETATM   60  C   UNL     1       0.466  -8.567  -0.717  1.00  0.00           C  
HETATM   61  C   UNL     1      -2.737   7.802   0.331  1.00  0.00           C  
HETATM   62  C   UNL     1      -6.265   7.169  -0.364  1.00  0.00           C  
HETATM   63  C   UNL     1      -5.004   6.751   0.063  1.00  0.00           C  
HETATM   64  C   UNL     1      -6.178   8.488  -0.686  1.00  0.00           C  
HETATM   65  C   UNL     1      -4.434  10.280  -0.677  1.00  0.00           C  
HETATM   66  C   UNL     1      -4.156   7.847  -0.014  1.00  0.00           C  
HETATM   67  C   UNL     1      -7.379   5.083  -0.123  1.00  0.00           C  
HETATM   68  C   UNL     1      -8.538   2.864   0.027  1.00  0.00           C  
HETATM   69  C   UNL     1      -9.839   2.407   0.227  1.00  0.00           C  
HETATM   70  C   UNL     1     -10.640   3.496   0.368  1.00  0.00           C  
HETATM   71  C   UNL     1     -10.402   5.981   0.428  1.00  0.00           C  
HETATM   72  C   UNL     1      -8.573   4.253   0.062  1.00  0.00           C  
HETATM   73  C   UNL     1      -9.420   0.090  -0.092  1.00  0.00           C  
HETATM   74  C   UNL     1      -9.477  -3.475   0.195  1.00  0.00           C  
HETATM   75  C   UNL     1     -10.822  -3.258   0.140  1.00  0.00           C  
HETATM   76  C   UNL     1     -12.310  -1.275  -0.212  1.00  0.00           C  
HETATM   77  C   UNL     1      -9.774  -1.337  -0.027  1.00  0.00           C  
HETATM   78  C   UNL     1      -7.544  -4.863   0.076  1.00  0.00           C  
HETATM   79  C   UNL     1      -6.949  -6.203  -0.079  1.00  0.00           C  
HETATM   80  C   UNL     1      -5.448  -7.771  -0.082  1.00  0.00           C  
HETATM   81  C   UNL     1      -6.639  -8.354  -0.406  1.00  0.00           C  
HETATM   82  C   UNL     1      -8.976  -7.567  -0.805  1.00  0.00           C  
HETATM   83  C   UNL     1      -3.065  -7.900   0.245  1.00  0.00           C  
HETATM   84  C   UNL     1       1.887   8.852  -0.017  1.00  0.00           C  
HETATM   85  C   UNL     1       0.572   8.111  -0.247  1.00  0.00           C  
HETATM   86  C   UNL     1      -0.556   8.802   0.510  1.00  0.00           C  
HETATM   87  H   UNL     1       1.945  -9.303   0.654  1.00  0.00           H  
HETATM   88  H   UNL     1       4.705  -5.758  -0.518  1.00  0.00           H  
HETATM   89  H   UNL     1       8.243  -6.837   0.699  1.00  0.00           H  
HETATM   90  H   UNL     1       6.942  -9.117   0.923  1.00  0.00           H  
HETATM   91  H   UNL     1       4.029 -10.395   1.551  1.00  0.00           H  
HETATM   92  H   UNL     1       3.576 -10.486  -0.168  1.00  0.00           H  
HETATM   93  H   UNL     1       5.209 -10.970   0.349  1.00  0.00           H  
HETATM   94  H   UNL     1      11.206  -0.887  -0.524  1.00  0.00           H  
HETATM   95  H   UNL     1       9.392   5.456  -0.743  1.00  0.00           H  
HETATM   96  H   UNL     1      11.743  -3.495  -0.418  1.00  0.00           H  
HETATM   97  H   UNL     1      10.696  -6.371   0.628  1.00  0.00           H  
HETATM   98  H   UNL     1       9.699  -6.656  -0.819  1.00  0.00           H  
HETATM   99  H   UNL     1      11.340  -5.989  -0.987  1.00  0.00           H  
HETATM  100  H   UNL     1       4.354   9.497  -0.080  1.00  0.00           H  
HETATM  101  H   UNL     1       7.649  -2.301   0.001  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.657 -10.197   1.472  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.994 -10.190   1.469  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.007   9.141  -1.039  1.00  0.00           H  
HETATM  105  H   UNL     1      11.580   3.988  -0.228  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.267   6.801  -0.780  1.00  0.00           H  
HETATM  107  H   UNL     1      12.548   1.334   1.334  1.00  0.00           H  
HETATM  108  H   UNL     1      12.255   0.230  -0.032  1.00  0.00           H  
HETATM  109  H   UNL     1      13.054   1.796  -0.309  1.00  0.00           H  
HETATM  110  H   UNL     1     -11.186   0.870   0.589  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.407  -5.495   0.634  1.00  0.00           H  
HETATM  112  H   UNL     1       6.873   9.395   0.430  1.00  0.00           H  
HETATM  113  H   UNL     1       9.601   7.709  -0.170  1.00  0.00           H  
HETATM  114  H   UNL     1       9.063   8.362   1.396  1.00  0.00           H  
HETATM  115  H   UNL     1       9.341   6.613   1.209  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.270  -9.455  -0.159  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.857  -9.410  -0.657  1.00  0.00           H  
HETATM  118  H   UNL     1       2.821   9.782   1.566  1.00  0.00           H  
HETATM  119  H   UNL     1       1.161   9.797   1.664  1.00  0.00           H  
HETATM  120  H   UNL     1      -0.799  -6.925  -0.150  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.152  -7.864   1.216  1.00  0.00           H  
HETATM  122  H   UNL     1       0.553  -7.972  -1.625  1.00  0.00           H  
HETATM  123  H   UNL     1       0.137  -9.573  -0.981  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.712   5.767   0.397  1.00  0.00           H  
HETATM  125  H   UNL     1      -6.988   9.099  -1.053  1.00  0.00           H  
HETATM  126  H   UNL     1      -4.561  10.851   0.242  1.00  0.00           H  
HETATM  127  H   UNL     1      -3.380  10.268  -0.955  1.00  0.00           H  
HETATM  128  H   UNL     1      -5.015  10.741  -1.476  1.00  0.00           H  
HETATM  129  H   UNL     1      -7.644   2.275  -0.124  1.00  0.00           H  
HETATM  130  H   UNL     1     -11.709   3.475   0.519  1.00  0.00           H  
HETATM  131  H   UNL     1     -10.267   6.316   1.456  1.00  0.00           H  
HETATM  132  H   UNL     1      -9.869   6.652  -0.246  1.00  0.00           H  
HETATM  133  H   UNL     1     -11.464   5.985   0.180  1.00  0.00           H  
HETATM  134  H   UNL     1     -11.602  -4.001   0.217  1.00  0.00           H  
HETATM  135  H   UNL     1     -12.714  -0.996   0.761  1.00  0.00           H  
HETATM  136  H   UNL     1     -12.197  -0.382  -0.828  1.00  0.00           H  
HETATM  137  H   UNL     1     -12.991  -1.970  -0.702  1.00  0.00           H  
HETATM  138  H   UNL     1      -6.814  -9.401  -0.607  1.00  0.00           H  
HETATM  139  H   UNL     1      -9.070  -7.536  -1.891  1.00  0.00           H  
HETATM  140  H   UNL     1      -9.313  -8.537  -0.439  1.00  0.00           H  
HETATM  141  H   UNL     1      -9.589  -6.780  -0.365  1.00  0.00           H  
HETATM  142  H   UNL     1       1.915   9.738  -0.649  1.00  0.00           H  
HETATM  143  H   UNL     1       0.341   8.105  -1.312  1.00  0.00           H  
HETATM  144  H   UNL     1       0.668   7.084   0.106  1.00  0.00           H  
HETATM  145  H   UNL     1      -0.331   9.866   0.610  1.00  0.00           H  
HETATM  146  H   UNL     1      -0.650   8.361   1.502  1.00  0.00           H  
CONECT    1    2    3    3   16                                       
CONECT    2    1   60   87                                            
CONECT    3    1    1                                                 
CONECT    4    7    8   10   10                                       
CONECT    5   10   13   16                                            
CONECT    6   19   19                                                 
CONECT    7    4   16   16   88                                       
CONECT    8    4   19   89                                            
CONECT    9   35   35                                                 
CONECT   10    4    4    5   90                                       
CONECT   11   25   28   31                                            
CONECT   12   45   45                                                 
CONECT   13    5   91   92   93                                       
CONECT   14   22   35   94                                            
CONECT   15   55   55                                                 
CONECT   16    1    5    7    7                                       
CONECT   17   39   41   43                                            
CONECT   18   61   61                                                 
CONECT   19    6    6    8   31                                       
CONECT   20   37   43   43                                            
CONECT   21   67   67                                                 
CONECT   22   14   25   25   33                                       
CONECT   23   37   45   95                                            
CONECT   24   73   73                                                 
CONECT   25   11   22   22   96                                       
CONECT   26   47   51   53                                            
CONECT   27   78   78                                                 
CONECT   28   11   97   98   99                                       
CONECT   29   47   47   49                                            
CONECT   30   83   83                                                 
CONECT   31   11   19   33   33                                       
CONECT   32   49   55  100                                            
CONECT   33   22   31   31  101                                       
CONECT   34   57  102  103                                            
CONECT   35    9    9   14   43                                       
CONECT   36   61   86  104                                            
CONECT   37   20   23   39   39                                       
CONECT   38   64   65   66                                            
CONECT   39   17   37   37  105                                       
CONECT   40   62   67  106                                            
CONECT   41   17  107  108  109                                       
CONECT   42   70   71   72                                            
CONECT   43   17   20   20   35                                       
CONECT   44   69   73  110                                            
CONECT   45   12   12   23   47                                       
CONECT   46   75   76   77                                            
CONECT   47   26   29   29   45                                       
CONECT   48   74   77   77                                            
CONECT   49   29   32   51   51                                       
CONECT   50   74   78  111                                            
CONECT   51   26   49   49  112                                       
CONECT   52   79   81   82                                            
CONECT   53   26  113  114  115                                       
CONECT   54   79   79   80                                            
CONECT   55   15   15   32   84                                       
CONECT   56   80   83  116                                            
CONECT   57   34   59   83  117                                       
CONECT   58   84  118  119                                            
CONECT   59   57   60  120  121                                       
CONECT   60    2   59  122  123                                       
CONECT   61   18   18   36   66                                       
CONECT   62   40   63   64   64                                       
CONECT   63   62   66   66  124                                       
CONECT   64   38   62   62  125                                       
CONECT   65   38  126  127  128                                       
CONECT   66   38   61   63   63                                       
CONECT   67   21   21   40   72                                       
CONECT   68   69   72   72  129                                       
CONECT   69   44   68   70   70                                       
CONECT   70   42   69   69  130                                       
CONECT   71   42  131  132  133                                       
CONECT   72   42   67   68   68                                       
CONECT   73   24   24   44   77                                       
CONECT   74   48   50   75   75                                       
CONECT   75   46   74   74  134                                       
CONECT   76   46  135  136  137                                       
CONECT   77   46   48   48   73                                       
CONECT   78   27   27   50   79                                       
CONECT   79   52   54   54   78                                       
CONECT   80   54   56   81   81                                       
CONECT   81   52   80   80  138                                       
CONECT   82   52  139  140  141                                       
CONECT   83   30   30   56   57                                       
CONECT   84   55   58   85  142                                       
CONECT   85   84   86  143  144                                       
CONECT   86   36   85  145  146                                       
CONECT   87    2                                                      
CONECT   88    7                                                      
CONECT   89    8                                                      
CONECT   90   10                                                      
CONECT   91   13                                                      
CONECT   92   13                                                      
CONECT   93   13                                                      
CONECT   94   14                                                      
CONECT   95   23                                                      
CONECT   96   25                                                      
CONECT   97   28                                                      
CONECT   98   28                                                      
CONECT   99   28                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   34                                                      
CONECT  103   34                                                      
CONECT  104   36                                                      
CONECT  105   39                                                      
CONECT  106   40                                                      
CONECT  107   41                                                      
CONECT  108   41                                                      
CONECT  109   41                                                      
CONECT  110   44                                                      
CONECT  111   50                                                      
CONECT  112   51                                                      
CONECT  113   53                                                      
CONECT  114   53                                                      
CONECT  115   53                                                      
CONECT  116   56                                                      
CONECT  117   57                                                      
CONECT  118   58                                                      
CONECT  119   58                                                      
CONECT  120   59                                                      
CONECT  121   59                                                      
CONECT  122   60                                                      
CONECT  123   60                                                      
CONECT  124   63                                                      
CONECT  125   64                                                      
CONECT  126   65                                                      
CONECT  127   65                                                      
CONECT  128   65                                                      
CONECT  129   68                                                      
CONECT  130   70                                                      
CONECT  131   71                                                      
CONECT  132   71                                                      
CONECT  133   71                                                      
CONECT  134   75                                                      
CONECT  135   76                                                      
CONECT  136   76                                                      
CONECT  137   76                                                      
CONECT  138   81                                                      
CONECT  139   82                                                      
CONECT  140   82                                                      
CONECT  141   82                                                      
CONECT  142   84                                                      
CONECT  143   85                                                      
CONECT  144   85                                                      
CONECT  145   86                                                      
CONECT  146   86                                                      
MASTER        0    0    0    0    0    0    0    0  146    0  146    0
END
