COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.672   3.224   0.068  1.00  0.00           O  
HETATM    2  C   UNL     1       2.031   2.304  -0.420  1.00  0.00           C  
HETATM    3  C   UNL     1       0.600   2.521  -0.805  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.244   2.729   0.401  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.427   2.048   0.343  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.190   1.645   1.567  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.303   0.756   1.158  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.978  -0.310   0.374  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.024  -1.348   0.076  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.455  -2.398  -0.814  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.318  -3.059  -0.111  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.537  -1.981   1.364  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.684  -2.940   1.039  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.200  -3.576   2.332  1.00  0.00           C  
HETATM   15  N   UNL     1      -7.301  -4.496   2.020  1.00  0.00           N  
HETATM   16  O   UNL     1      -1.860  -0.425  -0.080  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.298   0.887   2.554  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.082   0.605   3.838  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.191  -0.152   4.824  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.975  -0.433   6.108  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.120  -1.161   7.055  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.893   1.798  -0.762  1.00  0.00           O  
HETATM   23  C   UNL     1       0.169   3.578   1.517  1.00  0.00           C  
HETATM   24  C   UNL     1       0.496   3.755  -1.710  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.914   3.885  -2.223  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.402   3.366  -3.361  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.724   3.691  -3.493  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.130   4.448  -2.417  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.016   4.597  -1.571  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.135   5.323  -0.384  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.336   5.882  -0.049  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.439   5.734  -0.878  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.342   5.030  -2.058  1.00  0.00           C  
HETATM   34  N   UNL     1       2.668   1.138  -0.617  1.00  0.00           N  
HETATM   35  C   UNL     1       2.047  -0.164  -0.366  1.00  0.00           C  
HETATM   36  C   UNL     1       2.549  -1.172  -1.366  1.00  0.00           C  
HETATM   37  C   UNL     1       3.905  -1.478  -1.463  1.00  0.00           C  
HETATM   38  C   UNL     1       4.884  -0.979  -0.465  1.00  0.00           C  
HETATM   39  C   UNL     1       4.684  -1.229   0.893  1.00  0.00           C  
HETATM   40  C   UNL     1       5.591  -0.767   1.819  1.00  0.00           C  
HETATM   41  C   UNL     1       6.713  -0.048   1.399  1.00  0.00           C  
HETATM   42  C   UNL     1       7.687   0.447   2.391  1.00  0.00           C  
HETATM   43  O   UNL     1       7.514   0.229   3.573  1.00  0.00           O  
HETATM   44  O   UNL     1       8.769   1.140   1.985  1.00  0.00           O  
HETATM   45  C   UNL     1       6.913   0.201   0.038  1.00  0.00           C  
HETATM   46  C   UNL     1       6.007  -0.267  -0.887  1.00  0.00           C  
HETATM   47  C   UNL     1       4.361  -2.311  -2.487  1.00  0.00           C  
HETATM   48  C   UNL     1       3.467  -2.879  -3.369  1.00  0.00           C  
HETATM   49  C   UNL     1       2.111  -2.683  -3.189  1.00  0.00           C  
HETATM   50  C   UNL     1       1.647  -1.866  -2.164  1.00  0.00           C  
HETATM   51  S   UNL     1      -0.084  -1.772  -1.846  1.00  0.00           S  
HETATM   52  C   UNL     1      -0.591  -3.458  -1.924  1.00  0.00           C  
HETATM   53  C   UNL     1      -1.601  -3.941  -1.104  1.00  0.00           C  
HETATM   54  C   UNL     1      -1.963  -5.276  -1.195  1.00  0.00           C  
HETATM   55  C   UNL     1      -1.307  -6.087  -2.109  1.00  0.00           C  
HETATM   56  C   UNL     1      -0.314  -5.541  -2.898  1.00  0.00           C  
HETATM   57  N   UNL     1       0.010  -4.269  -2.786  1.00  0.00           N  
HETATM   58  H   UNL     1       0.232   1.649  -1.351  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.604   2.528   2.059  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.217   0.934   1.434  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.857  -0.880  -0.456  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.935  -1.801  -1.538  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.641  -2.326   0.293  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.716  -3.693   0.682  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.729  -2.531   1.846  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.896  -1.200   2.035  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.493  -2.390   0.558  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.326  -3.721   0.368  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.391  -4.126   2.814  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.558  -2.795   3.003  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.659  -4.929   2.859  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.036  -4.024   1.515  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.982  -0.056   2.108  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.421   1.490   2.789  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.398   1.548   4.284  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.959   0.002   3.603  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.875  -1.095   4.378  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.314   0.451   5.059  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.291   0.509   6.554  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.852  -1.037   5.873  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.615  -1.359   7.911  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.761  -2.008   6.640  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.199   4.592   1.358  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.242   3.184   2.446  1.00  0.00           H  
HETATM   85  H   UNL     1       1.258   3.593   1.579  1.00  0.00           H  
HETATM   86  H   UNL     1       0.760   4.646  -1.140  1.00  0.00           H  
HETATM   87  H   UNL     1       1.181   3.647  -2.551  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.834   2.778  -4.067  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.290   3.429  -4.236  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.282   5.442   0.266  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.428   6.444   0.869  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.382   6.182  -0.599  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.206   4.919  -2.696  1.00  0.00           H  
HETATM   94  H   UNL     1       3.596   1.175  -0.907  1.00  0.00           H  
HETATM   95  H   UNL     1       2.287  -0.497   0.644  1.00  0.00           H  
HETATM   96  H   UNL     1       0.963  -0.071  -0.456  1.00  0.00           H  
HETATM   97  H   UNL     1       3.816  -1.785   1.217  1.00  0.00           H  
HETATM   98  H   UNL     1       5.436  -0.961   2.870  1.00  0.00           H  
HETATM   99  H   UNL     1       9.379   1.444   2.671  1.00  0.00           H  
HETATM  100  H   UNL     1       7.779   0.757  -0.288  1.00  0.00           H  
HETATM  101  H   UNL     1       6.163  -0.078  -1.939  1.00  0.00           H  
HETATM  102  H   UNL     1       5.418  -2.522  -2.576  1.00  0.00           H  
HETATM  103  H   UNL     1       3.822  -3.490  -4.185  1.00  0.00           H  
HETATM  104  H   UNL     1       1.411  -3.147  -3.870  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.743  -5.674  -0.563  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.567  -7.130  -2.204  1.00  0.00           H  
HETATM  107  H   UNL     1       0.203  -6.165  -3.612  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   34    3    1    1                                       
CONECT    3    4    2   24   58                                       
CONECT    4    5   23    3                                            
CONECT    5    6   22   22    4                                       
CONECT    6    7    5   17   59                                       
CONECT    7    8    6   60                                            
CONECT    8    9   16   16    7                                       
CONECT    9   12   10    8   61                                       
CONECT   10   11    9   62                                            
CONECT   11   10   53   63   64                                       
CONECT   12   13    9   65   66                                       
CONECT   13   12   14   67   68                                       
CONECT   14   13   15   69   70                                       
CONECT   15   14   71   72                                            
CONECT   16    8    8                                                 
CONECT   17    6   18   73   74                                       
CONECT   18   17   19   75   76                                       
CONECT   19   18   20   77   78                                       
CONECT   20   19   21   79   80                                       
CONECT   21   20   81   82                                            
CONECT   22    5    5                                                 
CONECT   23    4   83   84   85                                       
CONECT   24    3   25   86   87                                       
CONECT   25   24   29   26   26                                       
CONECT   26   25   25   27   88                                       
CONECT   27   28   26   89                                            
CONECT   28   29   29   33   27                                       
CONECT   29   30   25   28   28                                       
CONECT   30   31   31   29   90                                       
CONECT   31   30   30   32   91                                       
CONECT   32   31   33   33   92                                       
CONECT   33   32   32   28   93                                       
CONECT   34   35    2   94                                            
CONECT   35   36   34   95   96                                       
CONECT   36   50   35   37   37                                       
CONECT   37   36   36   47   38                                       
CONECT   38   37   39   39   46                                       
CONECT   39   38   38   40   97                                       
CONECT   40   39   41   41   98                                       
CONECT   41   40   40   45   42                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   99                                                 
CONECT   45   46   46   41  100                                       
CONECT   46   38   45   45  101                                       
CONECT   47   48   48   37  102                                       
CONECT   48   49   47   47  103                                       
CONECT   49   50   50   48  104                                       
CONECT   50   51   49   49   36                                       
CONECT   51   52   50                                                 
CONECT   52   53   51   57   57                                       
CONECT   53   11   54   54   52                                       
CONECT   54   53   53   55  105                                       
CONECT   55   54   56   56  106                                       
CONECT   56   55   55   57  107                                       
CONECT   57   52   52   56                                            
CONECT   58    3                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   23                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   48                                                      
CONECT  104   49                                                      
CONECT  105   54                                                      
CONECT  106   55                                                      
CONECT  107   56                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
