COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.205   1.163  -0.444  1.00  0.00           C  
HETATM    2  C   UNL     1       4.574   2.174  -1.312  1.00  0.00           C  
HETATM    3  C   UNL     1       5.417   1.904  -2.372  1.00  0.00           C  
HETATM    4  C   UNL     1       5.896   0.609  -2.565  1.00  0.00           C  
HETATM    5  C   UNL     1       5.521  -0.405  -1.686  1.00  0.00           C  
HETATM    6  C   UNL     1       4.682  -0.123  -0.627  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.184  -1.163  -0.474  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.546  -2.180  -1.339  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.379  -1.916  -2.408  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.857  -0.623  -2.613  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.489   0.397  -1.737  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.660   0.121  -0.669  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.274  -1.457   0.691  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.914  -1.277   0.289  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.104  -1.569   1.430  1.00  0.00           C  
HETATM   16  C   UNL     1       0.180  -0.739   1.370  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.175   0.749   1.364  1.00  0.00           C  
HETATM   18  C   UNL     1       1.108   1.580   1.430  1.00  0.00           C  
HETATM   19  C   UNL     1       0.759   3.046   1.424  1.00  0.00           C  
HETATM   20  O   UNL     1       1.094   3.745   0.492  1.00  0.00           O  
HETATM   21  N   UNL     1       0.074   3.579   2.455  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.266   5.005   2.449  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.564   5.216   1.668  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.378   4.730   0.229  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.693   4.426   2.331  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.449   5.483   3.866  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.309   4.710   4.790  1.00  0.00           O  
HETATM   28  N   UNL     1      -0.767   6.770   4.107  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.945   7.236   5.485  1.00  0.00           C  
HETATM   30  O   UNL     1       1.928   1.281   0.298  1.00  0.00           O  
HETATM   31  C   UNL     1       3.284   1.464   0.711  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.995   1.048   2.496  1.00  0.00           O  
HETATM   33  O   UNL     1       0.989  -1.031   2.511  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.755  -3.035   1.436  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.082  -3.740   0.505  1.00  0.00           O  
HETATM   36  N   UNL     1      -0.079  -3.562   2.476  1.00  0.00           N  
HETATM   37  C   UNL     1       0.260  -4.987   2.482  1.00  0.00           C  
HETATM   38  C   UNL     1       1.565  -5.204   1.713  1.00  0.00           C  
HETATM   39  C   UNL     1       1.357  -4.838   0.242  1.00  0.00           C  
HETATM   40  C   UNL     1       2.661  -4.318   2.309  1.00  0.00           C  
HETATM   41  C   UNL     1       0.431  -5.457   3.904  1.00  0.00           C  
HETATM   42  O   UNL     1       0.639  -4.653   4.787  1.00  0.00           O  
HETATM   43  N   UNL     1       0.352  -6.771   4.193  1.00  0.00           N  
HETATM   44  C   UNL     1       0.584  -7.235   5.563  1.00  0.00           C  
HETATM   45  S   UNL     1       8.545   0.355  -5.441  1.00  0.00           S  
HETATM   46  C   UNL     1       7.512  -1.101  -5.459  1.00  0.00           C  
HETATM   47  C   UNL     1       6.672  -0.869  -4.426  1.00  0.00           C  
HETATM   48  C   UNL     1       6.802   0.313  -3.702  1.00  0.00           C  
HETATM   49  C   UNL     1       7.787   1.191  -4.058  1.00  0.00           C  
HETATM   50  S   UNL     1      -8.480  -0.386  -5.514  1.00  0.00           S  
HETATM   51  C   UNL     1      -7.734  -1.214  -4.119  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.752  -0.333  -3.759  1.00  0.00           C  
HETATM   53  C   UNL     1      -6.616   0.844  -4.489  1.00  0.00           C  
HETATM   54  C   UNL     1      -7.447   1.070  -5.531  1.00  0.00           C  
HETATM   55  H   UNL     1       4.202   3.177  -1.162  1.00  0.00           H  
HETATM   56  H   UNL     1       5.704   2.694  -3.050  1.00  0.00           H  
HETATM   57  H   UNL     1       5.889  -1.410  -1.831  1.00  0.00           H  
HETATM   58  H   UNL     1       4.391  -0.908   0.054  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.175  -3.181  -1.179  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.660  -2.710  -3.083  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.856   1.401  -1.892  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.375   0.910   0.010  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.422  -2.487   1.017  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.503  -0.779   1.512  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.654  -1.323   2.338  1.00  0.00           H  
HETATM   66  H   UNL     1       0.729  -0.985   0.462  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.717   0.990   0.450  1.00  0.00           H  
HETATM   68  H   UNL     1       1.650   1.339   2.345  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.194   3.020   3.201  1.00  0.00           H  
HETATM   70  H   UNL     1       0.539   5.568   1.976  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.816   6.277   1.663  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.303   4.881  -0.328  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.573   5.294  -0.244  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.125   3.670   0.233  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.826   4.772   3.356  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.618   4.577   1.774  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.441   3.365   2.335  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.879   7.389   3.368  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.198   8.296   5.480  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.750   6.672   5.957  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.020   7.085   6.041  1.00  0.00           H  
HETATM   82  H   UNL     1       3.430   2.495   1.032  1.00  0.00           H  
HETATM   83  H   UNL     1       3.506   0.790   1.538  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.479   0.822   3.282  1.00  0.00           H  
HETATM   85  H   UNL     1       0.467  -0.799   3.291  1.00  0.00           H  
HETATM   86  H   UNL     1       0.182  -2.998   3.221  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.540  -5.553   2.006  1.00  0.00           H  
HETATM   88  H   UNL     1       1.863  -6.250   1.789  1.00  0.00           H  
HETATM   89  H   UNL     1       1.179  -3.767   0.156  1.00  0.00           H  
HETATM   90  H   UNL     1       2.247  -5.106  -0.328  1.00  0.00           H  
HETATM   91  H   UNL     1       0.498  -5.383  -0.149  1.00  0.00           H  
HETATM   92  H   UNL     1       2.809  -4.578   3.357  1.00  0.00           H  
HETATM   93  H   UNL     1       3.591  -4.472   1.761  1.00  0.00           H  
HETATM   94  H   UNL     1       2.364  -3.272   2.233  1.00  0.00           H  
HETATM   95  H   UNL     1       0.141  -7.410   3.494  1.00  0.00           H  
HETATM   96  H   UNL     1       1.591  -6.957   5.875  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.144  -6.774   6.231  1.00  0.00           H  
HETATM   98  H   UNL     1       0.478  -8.319   5.603  1.00  0.00           H  
HETATM   99  H   UNL     1       7.552  -1.952  -6.122  1.00  0.00           H  
HETATM  100  H   UNL     1       5.906  -1.586  -4.171  1.00  0.00           H  
HETATM  101  H   UNL     1       8.040   2.144  -3.618  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.991  -2.164  -3.676  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.852   1.562  -4.232  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.481   1.917  -6.201  1.00  0.00           H  
CONECT    1    2    2    6   31                                       
CONECT    2    1    1    3   55                                       
CONECT    3    2    4    4   56                                       
CONECT    4    3    3    5   48                                       
CONECT    5    4    6    6   57                                       
CONECT    6    1    5    5   58                                       
CONECT    7    8    8   12   13                                       
CONECT    8    7    7    9   59                                       
CONECT    9    8   10   10   60                                       
CONECT   10    9    9   11   52                                       
CONECT   11   10   12   12   61                                       
CONECT   12    7   11   11   62                                       
CONECT   13    7   14   63   64                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   34   65                                       
CONECT   16   15   17   33   66                                       
CONECT   17   16   18   32   67                                       
CONECT   18   17   19   30   68                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   69                                            
CONECT   22   21   23   26   70                                       
CONECT   23   22   24   25   71                                       
CONECT   24   23   72   73   74                                       
CONECT   25   23   75   76   77                                       
CONECT   26   22   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   78                                            
CONECT   29   28   79   80   81                                       
CONECT   30   18   31                                                 
CONECT   31    1   30   82   83                                       
CONECT   32   17   84                                                 
CONECT   33   16   85                                                 
CONECT   34   15   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   86                                            
CONECT   37   36   38   41   87                                       
CONECT   38   37   39   40   88                                       
CONECT   39   38   89   90   91                                       
CONECT   40   38   92   93   94                                       
CONECT   41   37   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   95                                            
CONECT   44   43   96   97   98                                       
CONECT   45   46   49                                                 
CONECT   46   45   47   47   99                                       
CONECT   47   46   46   48  100                                       
CONECT   48    4   47   49   49                                       
CONECT   49   45   48   48  101                                       
CONECT   50   51   54                                                 
CONECT   51   50   52   52  102                                       
CONECT   52   10   51   51   53                                       
CONECT   53   52   54   54  103                                       
CONECT   54   50   53   53  104                                       
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
CONECT   99   46                                                      
CONECT  100   47                                                      
CONECT  101   49                                                      
CONECT  102   51                                                      
CONECT  103   53                                                      
CONECT  104   54                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
