COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.108   2.073  -1.848  1.00  0.00           C  
HETATM    2  C   UNL     1       0.391   1.154  -2.154  1.00  0.00           C  
HETATM    3  C   UNL     1       4.404  -3.745   0.252  1.00  0.00           C  
HETATM    4  C   UNL     1       5.714  -3.079   0.581  1.00  0.00           C  
HETATM    5  C   UNL     1       4.746  -0.507  -1.562  1.00  0.00           C  
HETATM    6  C   UNL     1       2.385  -0.159  -1.449  1.00  0.00           C  
HETATM    7  C   UNL     1       4.849   0.395  -0.365  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.154  -0.318  -0.941  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.420  -2.751   0.599  1.00  0.00           C  
HETATM   10  C   UNL     1       1.657  -3.777   1.538  1.00  0.00           C  
HETATM   11  C   UNL     1       3.987  -4.667   1.400  1.00  0.00           C  
HETATM   12  C   UNL     1       6.213  -2.191  -0.247  1.00  0.00           C  
HETATM   13  C   UNL     1       5.461  -1.859  -1.509  1.00  0.00           C  
HETATM   14  C   UNL     1       6.001  -0.739  -2.402  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.073   2.133  -4.172  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.166   2.430  -2.697  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.970   1.121  -1.443  1.00  0.00           C  
HETATM   18  C   UNL     1       0.985  -0.252  -1.996  1.00  0.00           C  
HETATM   19  C   UNL     1       0.515  -2.102  -0.386  1.00  0.00           C  
HETATM   20  C   UNL     1       0.209  -4.042   1.126  1.00  0.00           C  
HETATM   21  C   UNL     1       2.506  -5.019   1.260  1.00  0.00           C  
HETATM   22  C   UNL     1       6.830   2.319   1.317  1.00  0.00           C  
HETATM   23  C   UNL     1       7.380   3.077   2.527  1.00  0.00           C  
HETATM   24  C   UNL     1       7.908   3.388   1.125  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.836  -3.069   0.644  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.207  -3.250   0.843  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.184  -3.690   0.821  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.437  -3.474  -0.039  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.256   2.926  -0.051  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.353   3.208   1.321  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.472   3.823   1.808  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.757   4.739   3.586  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.524   4.176   0.957  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.460   3.917  -0.376  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.324   3.286  -0.912  1.00  0.00           C  
HETATM   36  C   UNL     1       7.247   0.857   1.150  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.696  -3.470   0.832  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.926  -3.693  -0.050  1.00  0.00           C  
HETATM   39  N   UNL     1       0.142  -0.989  -1.051  1.00  0.00           N  
HETATM   40  N   UNL     1       3.439  -0.489  -2.259  1.00  0.00           N  
HETATM   41  N   UNL     1       4.887   1.732  -0.530  1.00  0.00           N  
HETATM   42  N   UNL     1      -1.689  -3.061  -0.065  1.00  0.00           N  
HETATM   43  N   UNL     1      -3.172   2.324  -0.556  1.00  0.00           N  
HETATM   44  N   UNL     1      -5.237   3.020  -2.220  1.00  0.00           N  
HETATM   45  O   UNL     1      -2.013   1.459  -2.360  1.00  0.00           O  
HETATM   46  O   UNL     1       1.611  -2.582  -0.584  1.00  0.00           O  
HETATM   47  O   UNL     1       2.576   0.203  -0.307  1.00  0.00           O  
HETATM   48  O   UNL     1       4.896  -0.079   0.750  1.00  0.00           O  
HETATM   49  O   UNL     1       4.195   2.289   1.735  1.00  0.00           O  
HETATM   50  O   UNL     1       5.097   4.034   0.231  1.00  0.00           O  
HETATM   51  O   UNL     1      -2.807  -2.908   1.848  1.00  0.00           O  
HETATM   52  O   UNL     1      -4.013  -3.254   0.017  1.00  0.00           O  
HETATM   53  O   UNL     1      -5.563   4.094   3.136  1.00  0.00           O  
HETATM   54  S   UNL     1       5.147   2.721   0.772  1.00  0.00           S  
HETATM   55  H   UNL     1       0.257   1.388  -3.210  1.00  0.00           H  
HETATM   56  H   UNL     1       1.042   1.891  -1.685  1.00  0.00           H  
HETATM   57  H   UNL     1       3.638  -2.984   0.102  1.00  0.00           H  
HETATM   58  H   UNL     1       4.515  -4.330  -0.661  1.00  0.00           H  
HETATM   59  H   UNL     1       6.237  -3.327   1.491  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.479  -0.309   0.099  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.891  -0.834  -1.556  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.602  -2.070   1.430  1.00  0.00           H  
HETATM   63  H   UNL     1       2.048  -2.935   0.967  1.00  0.00           H  
HETATM   64  H   UNL     1       1.694  -3.542   2.602  1.00  0.00           H  
HETATM   65  H   UNL     1       4.582  -5.580   1.367  1.00  0.00           H  
HETATM   66  H   UNL     1       4.152  -4.161   2.351  1.00  0.00           H  
HETATM   67  H   UNL     1       7.149  -1.706  -0.023  1.00  0.00           H  
HETATM   68  H   UNL     1       4.976  -2.703  -2.001  1.00  0.00           H  
HETATM   69  H   UNL     1       5.872  -0.848  -3.479  1.00  0.00           H  
HETATM   70  H   UNL     1       6.918  -0.241  -2.086  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.486   1.144  -4.370  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.636   2.880  -4.730  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.028   2.158  -4.482  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.971   1.814  -0.602  1.00  0.00           H  
HETATM   75  H   UNL     1       0.994  -0.761  -2.960  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.355  -4.395   1.989  1.00  0.00           H  
HETATM   77  H   UNL     1       0.188  -4.802   0.344  1.00  0.00           H  
HETATM   78  H   UNL     1       2.249  -5.801   1.974  1.00  0.00           H  
HETATM   79  H   UNL     1       2.311  -5.373   0.248  1.00  0.00           H  
HETATM   80  H   UNL     1       6.731   3.817   2.996  1.00  0.00           H  
HETATM   81  H   UNL     1       8.040   2.533   3.204  1.00  0.00           H  
HETATM   82  H   UNL     1       8.915   3.048   0.879  1.00  0.00           H  
HETATM   83  H   UNL     1       7.606   4.332   0.671  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.294  -2.290   1.352  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.140  -4.049   1.582  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.117  -4.488   1.560  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.271  -2.730   1.329  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.061  -3.849   0.193  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.504  -2.675  -0.778  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.350  -4.434  -0.548  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.548   2.939   1.988  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.863   5.700   3.082  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.618   4.111   3.355  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.701   4.897   4.663  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.398   4.661   1.364  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.280   4.195  -1.022  1.00  0.00           H  
HETATM   97  H   UNL     1       6.923   0.285   2.020  1.00  0.00           H  
HETATM   98  H   UNL     1       6.783   0.447   0.253  1.00  0.00           H  
HETATM   99  H   UNL     1       8.331   0.796   1.059  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.628  -4.268   1.571  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.783  -2.510   1.341  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.839  -4.653  -0.559  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.993  -2.895  -0.789  1.00  0.00           H  
HETATM  104  H   UNL     1       3.339  -0.692  -3.203  1.00  0.00           H  
HETATM  105  H   UNL     1       4.763   2.115  -1.413  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.704  -3.261  -1.014  1.00  0.00           H  
CONECT    1   16   16   43   45                                       
CONECT    2   17   18   55   56                                       
CONECT    3    4   11   57   58                                       
CONECT    4    3   12   12   59                                       
CONECT    5    7   13   14   40                                       
CONECT    6   18   40   47   47                                       
CONECT    7    5   41   48   48                                       
CONECT    8   17   39   60   61                                       
CONECT    9   19   20   42   62                                       
CONECT   10   20   21   63   64                                       
CONECT   11    3   21   65   66                                       
CONECT   12    4    4   13   67                                       
CONECT   13    5   12   14   68                                       
CONECT   14    5   13   69   70                                       
CONECT   15   16   71   72   73                                       
CONECT   16    1    1   15   44                                       
CONECT   17    2    8   45   74                                       
CONECT   18    2    6   39   75                                       
CONECT   19    9   39   46   46                                       
CONECT   20    9   10   76   77                                       
CONECT   21   10   11   78   79                                       
CONECT   22   23   24   36   54                                       
CONECT   23   22   24   80   81                                       
CONECT   24   22   23   82   83                                       
CONECT   25   42   51   51   52                                       
CONECT   26   28   52   84   85                                       
CONECT   27   38   86   87   88                                       
CONECT   28   26   37   89   90                                       
CONECT   29   30   35   43   43                                       
CONECT   30   29   31   31   91                                       
CONECT   31   30   30   33   53                                       
CONECT   32   53   92   93   94                                       
CONECT   33   31   34   34   95                                       
CONECT   34   33   33   35   96                                       
CONECT   35   29   34   44   44                                       
CONECT   36   22   97   98   99                                       
CONECT   37   28   38  100  101                                       
CONECT   38   27   37  102  103                                       
CONECT   39    8   18   19                                            
CONECT   40    5    6  104                                            
CONECT   41    7   54  105                                            
CONECT   42    9   25  106                                            
CONECT   43    1   29   29                                            
CONECT   44   16   35   35                                            
CONECT   45    1   17                                                 
CONECT   46   19   19                                                 
CONECT   47    6    6                                                 
CONECT   48    7    7                                                 
CONECT   49   54   54                                                 
CONECT   50   54   54                                                 
CONECT   51   25   25                                                 
CONECT   52   25   26                                                 
CONECT   53   31   32                                                 
CONECT   54   22   41   49   49                                       
CONECT   54   50   50                                                 
CONECT   55    2                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   24                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   27                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   30                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   32                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
