COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.461   7.028   0.038  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.010   6.358  -1.082  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.806   5.390  -1.674  1.00  0.00           C  
HETATM    4  C   UNL     1       0.257   6.781  -1.763  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.011   0.141   0.641  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.994  -1.327   0.178  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.550  -2.518  -0.270  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.728  -3.459  -0.871  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.387  -3.187  -1.094  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.844  -2.001  -0.635  1.00  0.00           C  
HETATM   11  C   UNL     1       1.534   6.315  -1.123  1.00  0.00           C  
HETATM   12  C   UNL     1       2.272   5.293  -1.700  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.254   3.909  -0.925  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.950   3.485  -1.099  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.543   2.269  -0.571  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.476   1.439   0.046  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.790   1.842   0.150  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.179   3.081  -0.317  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.015   4.259  -1.979  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.105   5.189  -1.228  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.561   5.877  -0.121  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.735   6.782   0.516  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.637  -1.088   0.046  1.00  0.00           C  
HETATM   24  C   UNL     1       3.515   4.956  -1.175  1.00  0.00           C  
HETATM   25  C   UNL     1       3.955   5.549  -0.011  1.00  0.00           C  
HETATM   26  C   UNL     1       3.191   6.534   0.591  1.00  0.00           C  
HETATM   27  C   UNL     1       1.993   6.930   0.027  1.00  0.00           C  
HETATM   28  C   UNL     1       4.377   4.022  -1.972  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.562  -4.161  -1.875  1.00  0.00           C  
HETATM   30  C   UNL     1       5.260   3.134  -1.147  1.00  0.00           C  
HETATM   31  C   UNL     1       4.772   1.955  -0.600  1.00  0.00           C  
HETATM   32  C   UNL     1       5.623   1.115   0.108  1.00  0.00           C  
HETATM   33  C   UNL     1       6.957   1.452   0.252  1.00  0.00           C  
HETATM   34  C   UNL     1       7.438   2.644  -0.257  1.00  0.00           C  
HETATM   35  C   UNL     1       6.586   3.485  -0.949  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.635  -5.038  -1.104  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.095  -5.833  -0.076  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.247  -6.755   0.506  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.955  -6.918   0.040  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.503  -6.138  -1.010  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.313  -5.129  -1.510  1.00  0.00           C  
HETATM   42  C   UNL     1       5.094  -0.131   0.749  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.247  -6.492  -1.730  1.00  0.00           C  
HETATM   44  C   UNL     1       5.581  -1.403   0.114  1.00  0.00           C  
HETATM   45  C   UNL     1       4.663  -2.219  -0.536  1.00  0.00           C  
HETATM   46  C   UNL     1       5.074  -3.422  -1.090  1.00  0.00           C  
HETATM   47  C   UNL     1       6.401  -3.816  -0.960  1.00  0.00           C  
HETATM   48  C   UNL     1       7.324  -2.982  -0.351  1.00  0.00           C  
HETATM   49  C   UNL     1       6.909  -1.770   0.178  1.00  0.00           C  
HETATM   50  C   UNL     1       1.065  -6.245  -1.073  1.00  0.00           C  
HETATM   51  C   UNL     1       1.476  -7.006   0.007  1.00  0.00           C  
HETATM   52  C   UNL     1       2.744  -6.825   0.528  1.00  0.00           C  
HETATM   53  C   UNL     1       3.612  -5.898  -0.031  1.00  0.00           C  
HETATM   54  C   UNL     1       3.199  -5.143  -1.104  1.00  0.00           C  
HETATM   55  C   UNL     1       1.904  -5.268  -1.585  1.00  0.00           C  
HETATM   56  O   UNL     1       3.362  -1.839  -0.627  1.00  0.00           O  
HETATM   57  O   UNL     1       3.463   1.624  -0.756  1.00  0.00           O  
HETATM   58  O   UNL     1       1.782   4.623  -2.776  1.00  0.00           O  
HETATM   59  O   UNL     1      -1.314   4.636  -2.692  1.00  0.00           O  
HETATM   60  O   UNL     1      -3.241   1.889  -0.655  1.00  0.00           O  
HETATM   61  O   UNL     1      -3.529  -1.730  -0.849  1.00  0.00           O  
HETATM   62  O   UNL     1      -1.811  -4.229  -2.396  1.00  0.00           O  
HETATM   63  O   UNL     1       1.458  -4.432  -2.558  1.00  0.00           O  
HETATM   64  S   UNL     1       9.017  -3.460  -0.248  1.00  0.00           S  
HETATM   65  S   UNL     1       9.126   3.089  -0.025  1.00  0.00           S  
HETATM   66  S   UNL     1       3.749   7.286   2.084  1.00  0.00           S  
HETATM   67  S   UNL     1      -3.306   7.624   1.955  1.00  0.00           S  
HETATM   68  S   UNL     1      -8.851   3.607  -0.138  1.00  0.00           S  
HETATM   69  S   UNL     1      -9.273  -2.829  -0.078  1.00  0.00           S  
HETATM   70  S   UNL     1      -3.816  -7.734   1.856  1.00  0.00           S  
HETATM   71  S   UNL     1       3.263  -7.780   1.914  1.00  0.00           S  
HETATM   72  C   UNL     1       4.136  -4.269  -1.881  1.00  0.00           C  
HETATM   73  O   UNL     1       9.040  -4.913  -0.185  1.00  0.00           O  
HETATM   74  O   UNL     1       9.669  -2.955  -1.447  1.00  0.00           O1-
HETATM   75  O   UNL     1       9.552  -2.852   0.961  1.00  0.00           O  
HETATM   76  O   UNL     1       9.882   1.848   0.041  1.00  0.00           O  
HETATM   77  O   UNL     1       9.508   3.900  -1.171  1.00  0.00           O  
HETATM   78  O   UNL     1       9.196   3.838   1.220  1.00  0.00           O1-
HETATM   79  O   UNL     1       4.533   6.285   2.790  1.00  0.00           O  
HETATM   80  O   UNL     1       4.551   8.437   1.700  1.00  0.00           O1-
HETATM   81  O   UNL     1       2.560   7.673   2.828  1.00  0.00           O  
HETATM   82  O   UNL     1      -3.940   8.851   1.498  1.00  0.00           O1-
HETATM   83  O   UNL     1      -4.249   6.735   2.615  1.00  0.00           O  
HETATM   84  O   UNL     1      -2.136   7.887   2.779  1.00  0.00           O  
HETATM   85  O   UNL     1      -9.365   2.970   1.065  1.00  0.00           O  
HETATM   86  O   UNL     1      -8.825   5.057  -0.020  1.00  0.00           O  
HETATM   87  O   UNL     1      -9.559   3.169  -1.332  1.00  0.00           O1-
HETATM   88  O   UNL     1      -9.697  -2.119   1.118  1.00  0.00           O  
HETATM   89  O   UNL     1      -9.927  -2.322  -1.275  1.00  0.00           O1-
HETATM   90  O   UNL     1      -9.427  -4.269   0.059  1.00  0.00           O  
HETATM   91  O   UNL     1      -4.397  -8.939   1.286  1.00  0.00           O1-
HETATM   92  O   UNL     1      -2.655  -8.025   2.682  1.00  0.00           O  
HETATM   93  O   UNL     1      -4.804  -6.935   2.566  1.00  0.00           O  
HETATM   94  O   UNL     1       4.211  -6.963   2.656  1.00  0.00           O  
HETATM   95  O   UNL     1       2.069  -8.072   2.693  1.00  0.00           O  
HETATM   96  O   UNL     1       3.879  -8.987   1.385  1.00  0.00           O1-
HETATM   97  H   UNL     1      -0.820   7.738   0.541  1.00  0.00           H  
HETATM   98  H   UNL     1       0.234   6.408  -2.787  1.00  0.00           H  
HETATM   99  H   UNL     1       0.276   7.870  -1.801  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.931   0.072   0.515  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.229   0.155   1.709  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.627  -0.580   0.634  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.136  -4.414  -1.167  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.552   4.890  -1.266  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.519   1.184   0.600  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.404   3.554  -2.543  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.605   4.845  -2.684  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.563   5.707   0.247  1.00  0.00           H  
HETATM  109  H   UNL     1       4.893   5.246   0.430  1.00  0.00           H  
HETATM  110  H   UNL     1       1.416   7.720   0.485  1.00  0.00           H  
HETATM  111  H   UNL     1       3.730   3.394  -2.585  1.00  0.00           H  
HETATM  112  H   UNL     1       5.006   4.615  -2.636  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.241  -4.802  -2.437  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.967  -3.596  -2.594  1.00  0.00           H  
HETATM  115  H   UNL     1       7.628   0.780   0.766  1.00  0.00           H  
HETATM  116  H   UNL     1       6.956   4.422  -1.338  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.113  -5.735   0.273  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.302  -7.648   0.494  1.00  0.00           H  
HETATM  119  H   UNL     1       5.388  -0.133   1.798  1.00  0.00           H  
HETATM  120  H   UNL     1       4.005  -0.112   0.697  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.296  -7.554  -1.972  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.247  -5.948  -2.675  1.00  0.00           H  
HETATM  123  H   UNL     1       6.714  -4.779  -1.336  1.00  0.00           H  
HETATM  124  H   UNL     1       7.628  -1.110   0.641  1.00  0.00           H  
HETATM  125  H   UNL     1       0.810  -7.737   0.441  1.00  0.00           H  
HETATM  126  H   UNL     1       4.605  -5.771   0.374  1.00  0.00           H  
HETATM  127  H   UNL     1       3.159  -1.318  -1.416  1.00  0.00           H  
HETATM  128  H   UNL     1       3.282   1.100  -1.548  1.00  0.00           H  
HETATM  129  H   UNL     1       2.026   5.012  -3.626  1.00  0.00           H  
HETATM  130  H   UNL     1      -0.879   3.822  -2.405  1.00  0.00           H  
HETATM  131  H   UNL     1      -2.700   2.171   0.095  1.00  0.00           H  
HETATM  132  H   UNL     1      -2.943  -2.042  -0.146  1.00  0.00           H  
HETATM  133  H   UNL     1      -1.906  -4.493  -3.321  1.00  0.00           H  
HETATM  134  H   UNL     1       1.612  -4.756  -3.456  1.00  0.00           H  
HETATM  135  H   UNL     1       3.538  -3.611  -2.511  1.00  0.00           H  
HETATM  136  H   UNL     1       4.729  -4.908  -2.534  1.00  0.00           H  
CONECT    1    2   22   22   97                                       
CONECT    2    4    3    3    1                                       
CONECT    3   59    2    2   20                                       
CONECT    4   11    2   98   99                                       
CONECT    5   16   23  100  101                                       
CONECT    6   23    7    7  102                                       
CONECT    7    6    6    8   69                                       
CONECT    8    9    9    7  103                                       
CONECT    9   10   29    8    8                                       
CONECT   10   61   23   23    9                                       
CONECT   11   27   27   12    4                                       
CONECT   12   24   24   11   58                                       
CONECT   13   14   14   18  104                                       
CONECT   14   19   13   13   15                                       
CONECT   15   14   60   16   16                                       
CONECT   16   15   15   17    5                                       
CONECT   17   18   18   16  105                                       
CONECT   18   13   68   17   17                                       
CONECT   19   20   14  106  107                                       
CONECT   20    3   19   21   21                                       
CONECT   21   20   20   22  108                                       
CONECT   22    1    1   21   67                                       
CONECT   23    5   10   10    6                                       
CONECT   24   28   25   12   12                                       
CONECT   25   26   26   24  109                                       
CONECT   26   66   25   25   27                                       
CONECT   27   26   11   11  110                                       
CONECT   28   30   24  111  112                                       
CONECT   29   36    9  113  114                                       
CONECT   30   35   28   31   31                                       
CONECT   31   30   30   32   57                                       
CONECT   32   33   33   31   42                                       
CONECT   33   34   32   32  115                                       
CONECT   34   65   35   35   33                                       
CONECT   35   34   34   30  116                                       
CONECT   36   41   41   37   29                                       
CONECT   37   38   38   36  117                                       
CONECT   38   39   37   37   70                                       
CONECT   39   40   40   38  118                                       
CONECT   40   43   39   39   41                                       
CONECT   41   62   40   36   36                                       
CONECT   42   32   44  119  120                                       
CONECT   43   50   40  121  122                                       
CONECT   44   42   49   49   45                                       
CONECT   45   44   56   46   46                                       
CONECT   46   45   45   47   72                                       
CONECT   47   48   48   46  123                                       
CONECT   48   49   64   47   47                                       
CONECT   49   44   44   48  124                                       
CONECT   50   51   51   55   43                                       
CONECT   51   52   50   50  125                                       
CONECT   52   71   53   53   51                                       
CONECT   53   52   52   54  126                                       
CONECT   54   53   72   55   55                                       
CONECT   55   54   54   50   63                                       
CONECT   56   45  127                                                 
CONECT   57   31  128                                                 
CONECT   58   12  129                                                 
CONECT   59    3  130                                                 
CONECT   60   15  131                                                 
CONECT   61   10  132                                                 
CONECT   62   41  133                                                 
CONECT   63   55  134                                                 
CONECT   64   73   73   48   75                                       
CONECT   64   75   74                                                 
CONECT   65   76   76   77   77                                       
CONECT   65   78   34                                                 
CONECT   66   81   81   79   79                                       
CONECT   66   26   80                                                 
CONECT   67   83   83   22   84                                       
CONECT   67   84   82                                                 
CONECT   68   85   85   18   86                                       
CONECT   68   86   87                                                 
CONECT   69    7   90   90   88                                       
CONECT   69   88   89                                                 
CONECT   70   93   93   38   92                                       
CONECT   70   92   91                                                 
CONECT   71   94   94   95   95                                       
CONECT   71   96   52                                                 
CONECT   72   46   54  135  136                                       
CONECT   73   64   64                                                 
CONECT   74   64                                                      
CONECT   75   64   64                                                 
CONECT   76   65   65                                                 
CONECT   77   65   65                                                 
CONECT   78   65                                                      
CONECT   79   66   66                                                 
CONECT   80   66                                                      
CONECT   81   66   66                                                 
CONECT   82   67                                                      
CONECT   83   67   67                                                 
CONECT   84   67   67                                                 
CONECT   85   68   68                                                 
CONECT   86   68   68                                                 
CONECT   87   68                                                      
CONECT   88   69   69                                                 
CONECT   89   69                                                      
CONECT   90   69   69                                                 
CONECT   91   70                                                      
CONECT   92   70   70                                                 
CONECT   93   70   70                                                 
CONECT   94   71   71                                                 
CONECT   95   71   71                                                 
CONECT   96   71                                                      
CONECT   97    1                                                      
CONECT   98    4                                                      
CONECT   99    4                                                      
CONECT  100    5                                                      
CONECT  101    5                                                      
CONECT  102    6                                                      
CONECT  103    8                                                      
CONECT  104   13                                                      
CONECT  105   17                                                      
CONECT  106   19                                                      
CONECT  107   19                                                      
CONECT  108   21                                                      
CONECT  109   25                                                      
CONECT  110   27                                                      
CONECT  111   28                                                      
CONECT  112   28                                                      
CONECT  113   29                                                      
CONECT  114   29                                                      
CONECT  115   33                                                      
CONECT  116   35                                                      
CONECT  117   37                                                      
CONECT  118   39                                                      
CONECT  119   42                                                      
CONECT  120   42                                                      
CONECT  121   43                                                      
CONECT  122   43                                                      
CONECT  123   47                                                      
CONECT  124   49                                                      
CONECT  125   51                                                      
CONECT  126   53                                                      
CONECT  127   56                                                      
CONECT  128   57                                                      
CONECT  129   58                                                      
CONECT  130   59                                                      
CONECT  131   60                                                      
CONECT  132   61                                                      
CONECT  133   62                                                      
CONECT  134   63                                                      
CONECT  135   72                                                      
CONECT  136   72                                                      
MASTER        0    0    0    0    0    0    0    0  136    0  136    0
END
