COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.156   2.680   0.728  1.00  0.00           C  
HETATM    2  C   UNL     1       0.308   3.254  -0.780  1.00  0.00           C  
HETATM    3  C   UNL     1       0.083   3.413  -2.186  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.816   2.319  -2.779  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.242   1.166  -3.245  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.990   0.201  -3.786  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.389   0.294  -3.856  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.392  -1.953  -3.817  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.995   1.502  -3.405  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.197   2.548  -2.901  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.688   2.271  -0.154  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.845   1.768   0.862  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.106   2.502   1.239  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.141   2.611   0.329  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.297   3.284   0.674  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.419   3.849   1.930  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.680   4.584   2.307  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.385   3.739   2.841  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.230   3.062   2.496  1.00  0.00           C  
HETATM   20  C   UNL     1       3.426   1.975   1.072  1.00  0.00           C  
HETATM   21  C   UNL     1       3.496   1.495   2.449  1.00  0.00           C  
HETATM   22  C   UNL     1       2.666   0.310   2.700  1.00  0.00           C  
HETATM   23  C   UNL     1       3.151  -0.924   2.388  1.00  0.00           C  
HETATM   24  C   UNL     1       2.435  -2.083   2.547  1.00  0.00           C  
HETATM   25  C   UNL     1       1.133  -1.939   3.102  1.00  0.00           C  
HETATM   26  C   UNL     1       0.411  -4.211   2.599  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.481  -5.388   2.995  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.381  -6.476   1.913  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.582  -6.026  -0.342  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.472  -5.654  -1.634  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.025  -3.909  -2.404  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.757  -2.423  -2.507  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.077  -4.751  -0.120  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.228  -5.064   1.148  1.00  0.00           C  
HETATM   35  C   UNL     1       0.664  -0.754   3.556  1.00  0.00           C  
HETATM   36  C   UNL     1       1.453   0.425   3.364  1.00  0.00           C  
HETATM   37  C   UNL     1       6.127   1.169  -0.766  1.00  0.00           C  
HETATM   38  C   UNL     1       6.979   0.101  -0.555  1.00  0.00           C  
HETATM   39  C   UNL     1       8.294   0.326  -0.192  1.00  0.00           C  
HETATM   40  C   UNL     1       8.757   1.620  -0.041  1.00  0.00           C  
HETATM   41  C   UNL     1       7.905   2.688  -0.251  1.00  0.00           C  
HETATM   42  C   UNL     1       6.591   2.463  -0.614  1.00  0.00           C  
HETATM   43  N   UNL     1       1.670   2.734  -0.442  1.00  0.00           N  
HETATM   44  N   UNL     1      -3.282  -0.712  -4.252  1.00  0.00           N  
HETATM   45  N   UNL     1      -1.894   2.707   0.263  1.00  0.00           N  
HETATM   46  N   UNL     1      -8.635   3.642   2.907  1.00  0.00           N  
HETATM   47  N   UNL     1       0.292  -3.063   3.257  1.00  0.00           N  
HETATM   48  N   UNL     1      -1.371  -6.320   0.817  1.00  0.00           N  
HETATM   49  N   UNL     1      -2.298  -4.487  -1.308  1.00  0.00           N  
HETATM   50  N   UNL     1       3.566   0.768   0.158  1.00  0.00           N  
HETATM   51  O   UNL     1       1.479   3.132   1.658  1.00  0.00           O  
HETATM   52  O   UNL     1      -4.058  -2.649  -4.460  1.00  0.00           O  
HETATM   53  O   UNL     1      -0.391   1.101  -0.032  1.00  0.00           O  
HETATM   54  O   UNL     1       1.172  -4.277   1.751  1.00  0.00           O  
HETATM   55  O   UNL     1       4.014   2.062  -1.895  1.00  0.00           O  
HETATM   56  O   UNL     1       4.421  -0.403  -1.839  1.00  0.00           O  
HETATM   57  S   UNL     1       4.453   0.882  -1.235  1.00  0.00           S  
HETATM   58  H   UNL     1       0.207   4.170  -0.169  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.425   4.401  -2.342  1.00  0.00           H  
HETATM   60  H   UNL     1       0.981   3.392  -2.742  1.00  0.00           H  
HETATM   61  H   UNL     1       0.821   1.060  -3.203  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.556  -0.704  -4.136  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.053   1.582  -3.443  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.638   3.416  -2.560  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.404   1.322   1.754  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.083   0.983   0.144  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.046   2.169  -0.652  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.106   3.370  -0.037  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.442   5.368   3.025  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.121   5.030   1.415  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.480   4.180   3.822  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.423   2.973   3.209  1.00  0.00           H  
HETATM   73  H   UNL     1       4.223   2.645   0.778  1.00  0.00           H  
HETATM   74  H   UNL     1       4.582   1.337   2.692  1.00  0.00           H  
HETATM   75  H   UNL     1       3.239   2.304   3.124  1.00  0.00           H  
HETATM   76  H   UNL     1       4.113  -1.060   1.918  1.00  0.00           H  
HETATM   77  H   UNL     1       2.774  -3.102   2.203  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.118  -5.823   3.967  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.480  -5.054   3.131  1.00  0.00           H  
HETATM   80  H   UNL     1       0.643  -6.465   1.446  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.597  -7.481   2.350  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.014  -6.906  -0.614  1.00  0.00           H  
HETATM   83  H   UNL     1       0.048  -5.111  -0.216  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.894  -5.484  -2.449  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.168  -6.546  -1.799  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.093  -4.130  -2.228  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.700  -4.480  -3.330  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.700  -2.304  -2.530  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.179  -1.926  -1.669  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.742  -5.603  -0.325  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.681  -3.827   0.084  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.505  -4.248   1.290  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.816  -5.259   1.996  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.281  -0.591   4.072  1.00  0.00           H  
HETATM   95  H   UNL     1       1.129   1.401   3.665  1.00  0.00           H  
HETATM   96  H   UNL     1       6.617  -0.910  -0.673  1.00  0.00           H  
HETATM   97  H   UNL     1       8.959  -0.508  -0.027  1.00  0.00           H  
HETATM   98  H   UNL     1       9.784   1.796   0.243  1.00  0.00           H  
HETATM   99  H   UNL     1       8.267   3.699  -0.132  1.00  0.00           H  
HETATM  100  H   UNL     1       5.925   3.298  -0.779  1.00  0.00           H  
HETATM  101  H   UNL     1       2.132   2.433  -1.247  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.825  -0.420  -4.986  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.131   3.642   0.166  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.489   4.111   3.168  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.822   2.871   2.284  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.386  -3.048   3.983  1.00  0.00           H  
HETATM  107  H   UNL     1       3.136  -0.070   0.392  1.00  0.00           H  
CONECT    1   43   20   51   51                                       
CONECT    2    3   43   11   58                                       
CONECT    3    4    2   59   60                                       
CONECT    4   10    3    5    5                                       
CONECT    5    4    4    6   61                                       
CONECT    6    7    7    5   62                                       
CONECT    7    9   44    6    6                                       
CONECT    8   52   52   32   44                                       
CONECT    9   10   10    7   63                                       
CONECT   10    9    9    4   64                                       
CONECT   11   53   53    2   45                                       
CONECT   12   45   13   65   66                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13   15   67                                       
CONECT   15   14   16   16   68                                       
CONECT   16   15   15   18   17                                       
CONECT   17   16   46   69   70                                       
CONECT   18   19   19   16   71                                       
CONECT   19   13   18   18   72                                       
CONECT   20   21    1   50   73                                       
CONECT   21   20   22   74   75                                       
CONECT   22   21   23   23   36                                       
CONECT   23   22   22   24   76                                       
CONECT   24   23   25   25   77                                       
CONECT   25   24   24   35   47                                       
CONECT   26   54   54   47   27                                       
CONECT   27   28   26   78   79                                       
CONECT   28   48   27   80   81                                       
CONECT   29   30   48   82   83                                       
CONECT   30   49   29   84   85                                       
CONECT   31   32   49   86   87                                       
CONECT   32    8   31   88   89                                       
CONECT   33   49   34   90   91                                       
CONECT   34   33   48   92   93                                       
CONECT   35   36   36   25   94                                       
CONECT   36   22   35   35   95                                       
CONECT   37   42   57   38   38                                       
CONECT   38   37   37   39   96                                       
CONECT   39   40   40   38   97                                       
CONECT   40   41   39   39   98                                       
CONECT   41   42   42   40   99                                       
CONECT   42   41   41   37  100                                       
CONECT   43    2    1  101                                            
CONECT   44    8    7  102                                            
CONECT   45   11   12  103                                            
CONECT   46   17  104  105                                            
CONECT   47   25   26  106                                            
CONECT   48   29   34   28                                            
CONECT   49   31   30   33                                            
CONECT   50   20   57  107                                            
CONECT   51    1    1                                                 
CONECT   52    8    8                                                 
CONECT   53   11   11                                                 
CONECT   54   26   26                                                 
CONECT   55   57   57                                                 
CONECT   56   57   57                                                 
CONECT   57   56   56   50   37                                       
CONECT   57   55   55                                                 
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
CONECT  105   46                                                      
CONECT  106   47                                                      
CONECT  107   50                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
