COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.285   2.937  -1.317  1.00  0.00           C  
HETATM    2  C   UNL     1       0.250   5.427   3.027  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.738   1.590  -0.751  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.542   0.838  -0.225  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.105   2.434   3.274  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.412   0.632   1.062  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.411   1.221   2.024  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.261  -0.197   1.582  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.861   1.665   2.221  1.00  0.00           C  
HETATM   10  C   UNL     1       1.781   2.555   1.729  1.00  0.00           C  
HETATM   11  C   UNL     1       1.397   4.445   3.257  1.00  0.00           C  
HETATM   12  N   UNL     1       1.060   3.126   2.705  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.135  -5.070   0.021  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.058   5.991  -2.280  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.932  -6.134  -0.867  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.170   2.882  -2.956  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.093   4.703   2.994  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.036   3.475   3.909  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.829  -1.466   2.223  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.648  -2.675   1.312  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.345  -3.410   1.601  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.499   3.700  -1.851  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.138  -4.529   0.608  1.00  0.00           C  
HETATM   24  C   UNL     1       0.265  -5.016   0.322  1.00  0.00           C  
HETATM   25  C   UNL     1       0.941  -4.026  -0.586  1.00  0.00           C  
HETATM   26  C   UNL     1       2.042  -4.283  -1.243  1.00  0.00           C  
HETATM   27  C   UNL     1       2.659  -3.218  -2.115  1.00  0.00           C  
HETATM   28  C   UNL     1       3.308  -2.136  -1.245  1.00  0.00           C  
HETATM   29  C   UNL     1       2.248  -1.096  -0.878  1.00  0.00           C  
HETATM   30  C   UNL     1       4.445  -1.477  -2.022  1.00  0.00           C  
HETATM   31  C   UNL     1       5.182  -0.442  -1.173  1.00  0.00           C  
HETATM   32  C   UNL     1       6.197  -1.620   0.649  1.00  0.00           C  
HETATM   33  C   UNL     1       4.582   0.947  -1.389  1.00  0.00           C  
HETATM   34  C   UNL     1       5.642   1.901  -1.946  1.00  0.00           C  
HETATM   35  C   UNL     1       7.483   1.752  -3.474  1.00  0.00           C  
HETATM   36  C   UNL     1       4.991   3.267  -2.169  1.00  0.00           C  
HETATM   37  C   UNL     1       4.384   3.777  -0.860  1.00  0.00           C  
HETATM   38  C   UNL     1       3.596   5.061  -1.157  1.00  0.00           C  
HETATM   39  C   UNL     1       3.443   2.732  -0.260  1.00  0.00           C  
HETATM   40  C   UNL     1       2.984   3.175   1.108  1.00  0.00           C  
HETATM   41  C   UNL     1       2.705  -5.635  -1.165  1.00  0.00           C  
HETATM   42  C   UNL     1       1.031  -5.114   1.644  1.00  0.00           C  
HETATM   43  C   UNL     1       0.410  -6.182   2.507  1.00  0.00           C  
HETATM   44  C   UNL     1       1.140  -7.180   2.940  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.989  -6.776  -1.403  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.771  -7.920  -2.359  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.174  -1.683   3.586  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.409   0.771  -1.855  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.623   1.534  -2.389  1.00  0.00           C  
HETATM   50  O   UNL     1      -7.304   3.594  -3.455  1.00  0.00           O  
HETATM   51  O   UNL     1       2.300   2.590  -1.109  1.00  0.00           O  
HETATM   52  O   UNL     1       3.630   4.003   1.702  1.00  0.00           O  
HETATM   53  O   UNL     1      -4.116  -6.433  -1.115  1.00  0.00           O  
HETATM   54  O   UNL     1      -5.075   4.958  -2.381  1.00  0.00           O  
HETATM   55  O   UNL     1      -1.538   0.567   2.581  1.00  0.00           O  
HETATM   56  O   UNL     1       1.464   1.437   1.344  1.00  0.00           O  
HETATM   57  O   UNL     1      -0.850   2.049   1.075  1.00  0.00           O  
HETATM   58  O   UNL     1      -2.673  -2.262  -0.057  1.00  0.00           O  
HETATM   59  O   UNL     1       5.119  -0.791   0.209  1.00  0.00           O  
HETATM   60  O   UNL     1       6.126   1.401  -3.194  1.00  0.00           O  
HETATM   61  O   UNL     1       4.111   1.472  -0.146  1.00  0.00           O  
HETATM   62  H   UNL     1      -3.806   3.520  -0.530  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.575   2.770  -2.128  1.00  0.00           H  
HETATM   64  H   UNL     1       0.241   6.158   3.841  1.00  0.00           H  
HETATM   65  H   UNL     1       0.405   5.951   2.086  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.447   1.757   0.060  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.792   0.470  -0.909  1.00  0.00           H  
HETATM   68  H   UNL     1       0.235   1.742   4.045  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.277   0.562   2.098  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.951   1.327   3.007  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.729   2.199   1.664  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.593  -0.452   0.766  1.00  0.00           H  
HETATM   73  H   UNL     1       2.299   4.838   2.804  1.00  0.00           H  
HETATM   74  H   UNL     1       1.558   4.338   4.336  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.952   5.696  -2.829  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.311   6.151  -1.232  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.660   6.913  -2.704  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.030  -6.408  -1.098  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.460   2.714  -3.767  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.879   5.376   3.343  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.318   4.391   1.974  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.034   3.057   4.027  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.644   3.764   4.886  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.908  -1.306   2.379  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.494  -3.361   1.475  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.503  -2.722   1.528  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.378  -3.866   2.594  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.208   3.867  -1.041  1.00  0.00           H  
HETATM   89  H   UNL     1       0.215  -5.997  -0.145  1.00  0.00           H  
HETATM   90  H   UNL     1       0.467  -3.055  -0.714  1.00  0.00           H  
HETATM   91  H   UNL     1       3.433  -3.669  -2.739  1.00  0.00           H  
HETATM   92  H   UNL     1       1.885  -2.766  -2.733  1.00  0.00           H  
HETATM   93  H   UNL     1       3.695  -2.600  -0.339  1.00  0.00           H  
HETATM   94  H   UNL     1       1.441  -1.578  -0.326  1.00  0.00           H  
HETATM   95  H   UNL     1       2.699  -0.320  -0.258  1.00  0.00           H  
HETATM   96  H   UNL     1       1.848  -0.647  -1.787  1.00  0.00           H  
HETATM   97  H   UNL     1       5.160  -2.243  -2.342  1.00  0.00           H  
HETATM   98  H   UNL     1       4.045  -0.996  -2.918  1.00  0.00           H  
HETATM   99  H   UNL     1       6.237  -0.421  -1.475  1.00  0.00           H  
HETATM  100  H   UNL     1       6.075  -1.841   1.709  1.00  0.00           H  
HETATM  101  H   UNL     1       6.195  -2.550   0.082  1.00  0.00           H  
HETATM  102  H   UNL     1       7.142  -1.100   0.492  1.00  0.00           H  
HETATM  103  H   UNL     1       3.757   0.888  -2.101  1.00  0.00           H  
HETATM  104  H   UNL     1       6.463   1.992  -1.240  1.00  0.00           H  
HETATM  105  H   UNL     1       7.774   1.335  -4.438  1.00  0.00           H  
HETATM  106  H   UNL     1       7.578   2.837  -3.504  1.00  0.00           H  
HETATM  107  H   UNL     1       8.130   1.351  -2.694  1.00  0.00           H  
HETATM  108  H   UNL     1       5.740   3.974  -2.526  1.00  0.00           H  
HETATM  109  H   UNL     1       4.206   3.173  -2.921  1.00  0.00           H  
HETATM  110  H   UNL     1       5.184   4.003  -0.154  1.00  0.00           H  
HETATM  111  H   UNL     1       2.805   4.844  -1.874  1.00  0.00           H  
HETATM  112  H   UNL     1       3.156   5.439  -0.234  1.00  0.00           H  
HETATM  113  H   UNL     1       4.268   5.812  -1.574  1.00  0.00           H  
HETATM  114  H   UNL     1       2.080  -6.313  -0.584  1.00  0.00           H  
HETATM  115  H   UNL     1       2.838  -6.034  -2.171  1.00  0.00           H  
HETATM  116  H   UNL     1       3.678  -5.535  -0.683  1.00  0.00           H  
HETATM  117  H   UNL     1       2.072  -5.368   1.443  1.00  0.00           H  
HETATM  118  H   UNL     1       0.985  -4.156   2.162  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.636  -6.124   2.768  1.00  0.00           H  
HETATM  120  H   UNL     1       0.694  -7.945   3.559  1.00  0.00           H  
HETATM  121  H   UNL     1       2.186  -7.237   2.680  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.719  -7.537  -3.378  1.00  0.00           H  
HETATM  123  H   UNL     1      -1.837  -8.426  -2.113  1.00  0.00           H  
HETATM  124  H   UNL     1      -3.598  -8.625  -2.277  1.00  0.00           H  
HETATM  125  H   UNL     1      -2.380  -0.827   4.229  1.00  0.00           H  
HETATM  126  H   UNL     1      -2.578  -2.587   4.044  1.00  0.00           H  
HETATM  127  H   UNL     1      -1.097  -1.791   3.458  1.00  0.00           H  
HETATM  128  H   UNL     1      -4.700   0.604  -2.666  1.00  0.00           H  
HETATM  129  H   UNL     1      -5.732  -0.188  -1.452  1.00  0.00           H  
HETATM  130  H   UNL     1      -7.332   1.701  -1.579  1.00  0.00           H  
HETATM  131  H   UNL     1      -7.101   0.951  -3.177  1.00  0.00           H  
HETATM  132  H   UNL     1      -7.779   3.133  -4.160  1.00  0.00           H  
HETATM  133  H   UNL     1       1.654   1.942  -0.794  1.00  0.00           H  
HETATM  134  H   UNL     1      -2.612  -2.992  -0.689  1.00  0.00           H  
CONECT    1   22    3   62   63                                       
CONECT    2   17   11   64   65                                       
CONECT    3    1   48    4   66                                       
CONECT    4    3    6    6   67                                       
CONECT    5    9   18   12   68                                       
CONECT    6    4    4    7    8                                       
CONECT    7    6   69   70   71                                       
CONECT    8    6   19   55   72                                       
CONECT    9   57   57   55    5                                       
CONECT   10   56   56   12   40                                       
CONECT   11   12    2   73   74                                       
CONECT   12    5   10   11                                            
CONECT   13   15   23   23                                            
CONECT   14   54   75   76   77                                       
CONECT   15   45   13   78                                            
CONECT   16   50   22   49   79                                       
CONECT   17   18    2   80   81                                       
CONECT   18    5   17   82   83                                       
CONECT   19   20    8   47   84                                       
CONECT   20   58   21   19   85                                       
CONECT   21   20   23   86   87                                       
CONECT   22   54   16    1   88                                       
CONECT   23   21   13   13   24                                       
CONECT   24   23   42   25   89                                       
CONECT   25   24   26   26   90                                       
CONECT   26   25   25   41   27                                       
CONECT   27   26   28   91   92                                       
CONECT   28   30   27   29   93                                       
CONECT   29   28   94   95   96                                       
CONECT   30   28   31   97   98                                       
CONECT   31   30   33   59   99                                       
CONECT   32   59  100  101  102                                       
CONECT   33   34   61   31  103                                       
CONECT   34   36   60   33  104                                       
CONECT   35   60  105  106  107                                       
CONECT   36   37   34  108  109                                       
CONECT   37   38   36   39  110                                       
CONECT   38   37  111  112  113                                       
CONECT   39   37   40   61   51                                       
CONECT   40   10   39   52   52                                       
CONECT   41   26  114  115  116                                       
CONECT   42   43   24  117  118                                       
CONECT   43   44   44   42  119                                       
CONECT   44   43   43  120  121                                       
CONECT   45   46   53   53   15                                       
CONECT   46   45  122  123  124                                       
CONECT   47   19  125  126  127                                       
CONECT   48   49    3  128  129                                       
CONECT   49   16   48  130  131                                       
CONECT   50   16  132                                                 
CONECT   51   39  133                                                 
CONECT   52   40   40                                                 
CONECT   53   45   45                                                 
CONECT   54   14   22                                                 
CONECT   55    8    9                                                 
CONECT   56   10   10                                                 
CONECT   57    9    9                                                 
CONECT   58   20  134                                                 
CONECT   59   31   32                                                 
CONECT   60   35   34                                                 
CONECT   61   39   33                                                 
CONECT   62    1                                                      
CONECT   63    1                                                      
CONECT   64    2                                                      
CONECT   65    2                                                      
CONECT   66    3                                                      
CONECT   67    4                                                      
CONECT   68    5                                                      
CONECT   69    7                                                      
CONECT   70    7                                                      
CONECT   71    7                                                      
CONECT   72    8                                                      
CONECT   73   11                                                      
CONECT   74   11                                                      
CONECT   75   14                                                      
CONECT   76   14                                                      
CONECT   77   14                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   17                                                      
CONECT   81   17                                                      
CONECT   82   18                                                      
CONECT   83   18                                                      
CONECT   84   19                                                      
CONECT   85   20                                                      
CONECT   86   21                                                      
CONECT   87   21                                                      
CONECT   88   22                                                      
CONECT   89   24                                                      
CONECT   90   25                                                      
CONECT   91   27                                                      
CONECT   92   27                                                      
CONECT   93   28                                                      
CONECT   94   29                                                      
CONECT   95   29                                                      
CONECT   96   29                                                      
CONECT   97   30                                                      
CONECT   98   30                                                      
CONECT   99   31                                                      
CONECT  100   32                                                      
CONECT  101   32                                                      
CONECT  102   32                                                      
CONECT  103   33                                                      
CONECT  104   34                                                      
CONECT  105   35                                                      
CONECT  106   35                                                      
CONECT  107   35                                                      
CONECT  108   36                                                      
CONECT  109   36                                                      
CONECT  110   37                                                      
CONECT  111   38                                                      
CONECT  112   38                                                      
CONECT  113   38                                                      
CONECT  114   41                                                      
CONECT  115   41                                                      
CONECT  116   41                                                      
CONECT  117   42                                                      
CONECT  118   42                                                      
CONECT  119   43                                                      
CONECT  120   44                                                      
CONECT  121   44                                                      
CONECT  122   46                                                      
CONECT  123   46                                                      
CONECT  124   46                                                      
CONECT  125   47                                                      
CONECT  126   47                                                      
CONECT  127   47                                                      
CONECT  128   48                                                      
CONECT  129   48                                                      
CONECT  130   49                                                      
CONECT  131   49                                                      
CONECT  132   50                                                      
CONECT  133   51                                                      
CONECT  134   58                                                      
MASTER        0    0    0    0    0    0    0    0  134    0  134    0
END
