COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1       1.128  -1.288  18.668  1.00  0.00           C  
HETATM    2  C   UNK     1       1.467  -0.362  17.529  1.00  0.00           C  
HETATM    3  O   UNK     1       0.144  -0.969  19.523  1.00  0.00           O  
HETATM    4  O   UNK     1       1.742  -2.319  18.811  1.00  0.00           O  
HETATM    5  C   UNK     1       0.630  -0.732  16.304  1.00  0.00           C  
HETATM    6  N   UNK     1       2.894  -0.488  17.204  1.00  0.00           N  
HETATM    7  C   UNK     1       0.974   0.208  15.147  1.00  0.00           C  
HETATM    8  C   UNK     1       0.149  -0.155  13.940  1.00  0.00           C  
HETATM    9  O   UNK     1      -0.636  -1.077  13.999  1.00  0.00           O  
HETATM   10  N   UNK     1       0.285   0.542  12.795  1.00  0.00           N  
HETATM   11  C   UNK     1      -0.516   0.188  11.622  1.00  0.00           C  
HETATM   12  C   UNK     1       0.249   0.526  10.369  1.00  0.00           C  
HETATM   13  O   UNK     1       1.356   1.016  10.448  1.00  0.00           O  
HETATM   14  C   UNK     1      -1.829   0.973  11.645  1.00  0.00           C  
HETATM   15  S   UNK     1      -2.751   0.566  13.153  1.00  0.00           S  
HETATM   16  N   UNK     1      -0.295   0.286   9.160  1.00  0.00           N  
HETATM   17  C   UNK     1       0.449   0.615   7.942  1.00  0.00           C  
HETATM   18  C   UNK     1      -0.376   0.250   6.735  1.00  0.00           C  
HETATM   19  O   UNK     1      -1.477  -0.236   6.878  1.00  0.00           O  
HETATM   20  N   UNK     1       0.110   0.465   5.496  1.00  0.00           N  
HETATM   21  C   UNK     1      -0.691   0.111   4.323  1.00  0.00           C  
HETATM   22  C   UNK     1       0.085   0.455   3.051  1.00  0.00           C  
HETATM   23  C   UNK     1      -0.751   0.085   1.825  1.00  0.00           C  
HETATM   24  C   UNK     1       0.026   0.429   0.553  1.00  0.00           C  
HETATM   25  C   UNK     1       0.021   0.427  -1.803  1.00  0.00           C  
HETATM   26  N   UNK     1      -0.778   0.073  -0.623  1.00  0.00           N  
HETATM   27  C   UNK     1      -0.760   0.081  -3.072  1.00  0.00           C  
HETATM   28  C   UNK     1       0.072   0.449  -4.301  1.00  0.00           C  
HETATM   29  N   UNK     1      -0.677   0.118  -5.516  1.00  0.00           N  
HETATM   30  C   UNK     1      -0.136   0.357  -6.727  1.00  0.00           C  
HETATM   31  N   UNK     1      -0.109   0.370  -9.153  1.00  0.00           N  
HETATM   32  C   UNK     1      -0.907   0.017  -7.976  1.00  0.00           C  
HETATM   33  O   UNK     1       0.970   0.847  -6.811  1.00  0.00           O  
HETATM   34  C   UNK     1      -0.600   0.153 -10.390  1.00  0.00           C  
HETATM   35  N   UNK     1      -0.529   0.184 -12.815  1.00  0.00           N  
HETATM   36  C   UNK     1       0.220   0.515 -11.601  1.00  0.00           C  
HETATM   37  O   UNK     1      -1.702  -0.334 -10.528  1.00  0.00           O  
HETATM   38  C   UNK     1       0.522   2.015 -11.581  1.00  0.00           C  
HETATM   39  S   UNK     1       1.510   2.452 -13.038  1.00  0.00           S  
HETATM   40  C   UNK     1       0.128  -0.162 -13.939  1.00  0.00           C  
HETATM   41  C   UNK     1       0.517  -1.555 -18.683  1.00  0.00           C  
HETATM   42  C   UNK     1      -0.446  -1.204 -17.579  1.00  0.00           C  
HETATM   43  O   UNK     1       0.979  -0.596 -19.500  1.00  0.00           O  
HETATM   44  O   UNK     1       0.873  -2.700 -18.833  1.00  0.00           O  
HETATM   45  C   UNK     1       0.336  -0.859 -16.310  1.00  0.00           C  
HETATM   46  N   UNK     1      -1.326  -2.350 -17.314  1.00  0.00           N  
HETATM   47  C   UNK     1      -0.641  -0.502 -15.189  1.00  0.00           C  
HETATM   48  O   UNK     1       1.341  -0.200 -13.945  1.00  0.00           O  
HETATM   49  H   UNK     1       1.251   0.665  17.820  1.00  0.00           H  
HETATM   50  H   UNK     1      -0.073  -1.563  20.254  1.00  0.00           H  
HETATM   51  H   UNK     1       0.846  -1.759  16.012  1.00  0.00           H  
HETATM   52  H   UNK     1      -0.428  -0.638  16.545  1.00  0.00           H  
HETATM   53  H   UNK     1       3.047  -1.450  16.941  1.00  0.00           H  
HETATM   54  H   UNK     1       3.053   0.066  16.376  1.00  0.00           H  
HETATM   55  H   UNK     1       0.758   1.236  15.439  1.00  0.00           H  
HETATM   56  H   UNK     1       2.033   0.115  14.906  1.00  0.00           H  
HETATM   57  H   UNK     1       0.914   1.279  12.748  1.00  0.00           H  
HETATM   58  H   UNK     1      -0.732  -0.880  11.638  1.00  0.00           H  
HETATM   59  H   UNK     1      -1.613   2.042  11.629  1.00  0.00           H  
HETATM   60  H   UNK     1      -2.426   0.710  10.772  1.00  0.00           H  
HETATM   61  H   UNK     1      -3.837   1.340  12.979  1.00  0.00           H  
HETATM   62  H   UNK     1      -1.181  -0.105   9.096  1.00  0.00           H  
HETATM   63  H   UNK     1       0.664   1.683   7.926  1.00  0.00           H  
HETATM   64  H   UNK     1       1.384   0.055   7.925  1.00  0.00           H  
HETATM   65  H   UNK     1       0.991   0.855   5.382  1.00  0.00           H  
HETATM   66  H   UNK     1      -0.907  -0.957   4.339  1.00  0.00           H  
HETATM   67  H   UNK     1      -1.627   0.671   4.339  1.00  0.00           H  
HETATM   68  H   UNK     1       0.301   1.523   3.034  1.00  0.00           H  
HETATM   69  H   UNK     1       1.021  -0.104   3.034  1.00  0.00           H  
HETATM   70  H   UNK     1      -0.967  -0.983   1.841  1.00  0.00           H  
HETATM   71  H   UNK     1      -1.686   0.644   1.842  1.00  0.00           H  
HETATM   72  H   UNK     1       0.241   1.497   0.537  1.00  0.00           H  
HETATM   73  H   UNK     1       0.961  -0.130   0.537  1.00  0.00           H  
HETATM   74  H   UNK     1       0.237   1.495  -1.789  1.00  0.00           H  
HETATM   75  H   UNK     1       0.956  -0.132  -1.789  1.00  0.00           H  
HETATM   76  H   UNK     1      -0.864  -0.931  -0.622  1.00  0.00           H  
HETATM   77  H   UNK     1      -0.976  -0.986  -3.086  1.00  0.00           H  
HETATM   78  H   UNK     1      -1.696   0.641  -3.086  1.00  0.00           H  
HETATM   79  H   UNK     1       0.287   1.518  -4.287  1.00  0.00           H  
HETATM   80  H   UNK     1       1.007  -0.109  -4.287  1.00  0.00           H  
HETATM   81  H   UNK     1      -1.562  -0.272  -5.448  1.00  0.00           H  
HETATM   82  H   UNK     1       0.771   0.759  -9.043  1.00  0.00           H  
HETATM   83  H   UNK     1      -1.122  -1.051  -7.990  1.00  0.00           H  
HETATM   84  H   UNK     1      -1.842   0.577  -7.990  1.00  0.00           H  
HETATM   85  H   UNK     1      -1.498   0.215 -12.811  1.00  0.00           H  
HETATM   86  H   UNK     1       1.155  -0.043 -11.587  1.00  0.00           H  
HETATM   87  H   UNK     1      -0.412   2.575 -11.595  1.00  0.00           H  
HETATM   88  H   UNK     1       1.080   2.261 -10.677  1.00  0.00           H  
HETATM   89  H   UNK     1       1.660   3.772 -12.832  1.00  0.00           H  
HETATM   90  H   UNK     1      -1.047  -0.346 -17.880  1.00  0.00           H  
HETATM   91  H   UNK     1       1.598  -0.821 -20.208  1.00  0.00           H  
HETATM   92  H   UNK     1       0.989  -0.008 -16.506  1.00  0.00           H  
HETATM   93  H   UNK     1       0.937  -1.716 -16.009  1.00  0.00           H  
HETATM   94  H   UNK     1      -0.729  -3.117 -17.040  1.00  0.00           H  
HETATM   95  H   UNK     1      -1.879  -2.110 -16.505  1.00  0.00           H  
HETATM   96  H   UNK     1      -1.294  -1.353 -14.992  1.00  0.00           H  
HETATM   97  H   UNK     1      -1.243   0.355 -15.490  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1    5    6   49                                       
CONECT    3    1   50                                                 
CONECT    4    1    1                                                 
CONECT    5    2    7   51   52                                       
CONECT    6    2   53   54                                            
CONECT    7    5    8   55   56                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   57                                            
CONECT   11   10   12   14   58                                       
CONECT   12   11   13   13   16                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   59   60                                       
CONECT   15   14   61                                                 
CONECT   16   12   17   62                                            
CONECT   17   16   18   63   64                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   65                                            
CONECT   21   20   22   66   67                                       
CONECT   22   21   23   68   69                                       
CONECT   23   22   24   70   71                                       
CONECT   24   23   26   72   73                                       
CONECT   25   26   27   74   75                                       
CONECT   26   24   25   76                                            
CONECT   27   25   28   77   78                                       
CONECT   28   27   29   79   80                                       
CONECT   29   28   30   81                                            
CONECT   30   29   32   33   33                                       
CONECT   31   32   34   82                                            
CONECT   32   30   31   83   84                                       
CONECT   33   30   30                                                 
CONECT   34   31   36   37   37                                       
CONECT   35   36   40   85                                            
CONECT   36   34   35   38   86                                       
CONECT   37   34   34                                                 
CONECT   38   36   39   87   88                                       
CONECT   39   38   89                                                 
CONECT   40   35   47   48   48                                       
CONECT   41   42   43   44   44                                       
CONECT   42   41   45   46   90                                       
CONECT   43   41   91                                                 
CONECT   44   41   41                                                 
CONECT   45   42   47   92   93                                       
CONECT   46   42   94   95                                            
CONECT   47   40   45   96   97                                       
CONECT   48   40   40                                                 
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   45                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   47                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
