COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1       2.894  -0.488  17.204  1.00  0.00           N  
HETATM    2  C   UNK     1       1.467  -0.362  17.529  1.00  0.00           C  
HETATM    3  C   UNK     1       1.128  -1.288  18.668  1.00  0.00           C  
HETATM    4  O   UNK     1       1.742  -2.319  18.811  1.00  0.00           O  
HETATM    5  O   UNK     1       0.144  -0.969  19.523  1.00  0.00           O  
HETATM    6  C   UNK     1       0.630  -0.732  16.304  1.00  0.00           C  
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      -0.109   0.370  -9.153  1.00  0.00           N  
HETATM   21  C   UNK     1      -0.907   0.017  -7.976  1.00  0.00           C  
HETATM   22  C   UNK     1      -0.136   0.357  -6.727  1.00  0.00           C  
HETATM   23  O   UNK     1       0.970   0.847  -6.811  1.00  0.00           O  
HETATM   24  C   UNK     1      -0.600   0.153 -10.390  1.00  0.00           C  
HETATM   25  O   UNK     1      -1.702  -0.334 -10.528  1.00  0.00           O  
HETATM   26  C   UNK     1       0.220   0.515 -11.601  1.00  0.00           C  
HETATM   27  N   UNK     1      -0.529   0.184 -12.815  1.00  0.00           N  
HETATM   28  C   UNK     1       0.522   2.015 -11.581  1.00  0.00           C  
HETATM   29  S   UNK     1       1.510   2.452 -13.038  1.00  0.00           S  
HETATM   30  C   UNK     1      -0.446  -1.204 -17.579  1.00  0.00           C  
HETATM   31  C   UNK     1       0.517  -1.555 -18.683  1.00  0.00           C  
HETATM   32  O   UNK     1       0.873  -2.700 -18.833  1.00  0.00           O  
HETATM   33  O   UNK     1       0.979  -0.596 -19.500  1.00  0.00           O  
HETATM   34  N   UNK     1      -1.326  -2.350 -17.314  1.00  0.00           N  
HETATM   35  C   UNK     1       0.336  -0.859 -16.310  1.00  0.00           C  
HETATM   36  C   UNK     1      -0.641  -0.502 -15.189  1.00  0.00           C  
HETATM   37  C   UNK     1       0.128  -0.162 -13.939  1.00  0.00           C  
HETATM   38  O   UNK     1       1.341  -0.200 -13.945  1.00  0.00           O  
HETATM   39  N   UNK     1      -0.677   0.118  -5.516  1.00  0.00           N  
HETATM   40  C   UNK     1       0.072   0.449  -4.301  1.00  0.00           C  
HETATM   41  C   UNK     1      -0.760   0.081  -3.072  1.00  0.00           C  
HETATM   42  N   UNK     1      -0.778   0.073  -0.623  1.00  0.00           N  
HETATM   43  C   UNK     1       0.021   0.427  -1.803  1.00  0.00           C  
HETATM   44  C   UNK     1       0.026   0.429   0.553  1.00  0.00           C  
HETATM   45  C   UNK     1      -0.751   0.085   1.825  1.00  0.00           C  
HETATM   46  C   UNK     1       0.085   0.455   3.051  1.00  0.00           C  
HETATM   47  C   UNK     1      -0.691   0.111   4.323  1.00  0.00           C  
HETATM   48  N   UNK     1       0.110   0.465   5.496  1.00  0.00           N  
HETATM   49  H   UNK     1       3.053   0.066  16.376  1.00  0.00           H  
HETATM   50  H   UNK     1       3.047  -1.450  16.941  1.00  0.00           H  
HETATM   51  H   UNK     1       1.251   0.665  17.820  1.00  0.00           H  
HETATM   52  H   UNK     1      -0.073  -1.563  20.254  1.00  0.00           H  
HETATM   53  H   UNK     1       0.846  -1.759  16.012  1.00  0.00           H  
HETATM   54  H   UNK     1      -0.428  -0.638  16.545  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       0.771   0.759  -9.043  1.00  0.00           H  
HETATM   66  H   UNK     1      -1.122  -1.051  -7.990  1.00  0.00           H  
HETATM   67  H   UNK     1      -1.842   0.577  -7.990  1.00  0.00           H  
HETATM   68  H   UNK     1       1.155  -0.043 -11.587  1.00  0.00           H  
HETATM   69  H   UNK     1      -1.498   0.215 -12.811  1.00  0.00           H  
HETATM   70  H   UNK     1      -0.412   2.575 -11.595  1.00  0.00           H  
HETATM   71  H   UNK     1       1.080   2.261 -10.677  1.00  0.00           H  
HETATM   72  H   UNK     1       1.660   3.772 -12.832  1.00  0.00           H  
HETATM   73  H   UNK     1      -1.047  -0.346 -17.880  1.00  0.00           H  
HETATM   74  H   UNK     1       1.598  -0.821 -20.208  1.00  0.00           H  
HETATM   75  H   UNK     1      -0.729  -3.117 -17.040  1.00  0.00           H  
HETATM   76  H   UNK     1      -1.879  -2.110 -16.505  1.00  0.00           H  
HETATM   77  H   UNK     1       0.989  -0.008 -16.506  1.00  0.00           H  
HETATM   78  H   UNK     1       0.937  -1.716 -16.009  1.00  0.00           H  
HETATM   79  H   UNK     1      -1.294  -1.353 -14.992  1.00  0.00           H  
HETATM   80  H   UNK     1      -1.243   0.355 -15.490  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       0.287   1.518  -4.287  1.00  0.00           H  
HETATM   83  H   UNK     1       1.007  -0.109  -4.287  1.00  0.00           H  
HETATM   84  H   UNK     1      -0.976  -0.986  -3.086  1.00  0.00           H  
HETATM   85  H   UNK     1      -1.696   0.641  -3.086  1.00  0.00           H  
HETATM   86  H   UNK     1      -0.864  -0.931  -0.622  1.00  0.00           H  
HETATM   87  H   UNK     1       0.237   1.495  -1.789  1.00  0.00           H  
HETATM   88  H   UNK     1       0.956  -0.132  -1.789  1.00  0.00           H  
HETATM   89  H   UNK     1       0.241   1.497   0.537  1.00  0.00           H  
HETATM   90  H   UNK     1       0.961  -0.130   0.537  1.00  0.00           H  
HETATM   91  H   UNK     1      -0.967  -0.983   1.841  1.00  0.00           H  
HETATM   92  H   UNK     1      -1.686   0.644   1.842  1.00  0.00           H  
HETATM   93  H   UNK     1       0.301   1.523   3.034  1.00  0.00           H  
HETATM   94  H   UNK     1       1.021  -0.104   3.034  1.00  0.00           H  
HETATM   95  H   UNK     1      -0.907  -0.957   4.339  1.00  0.00           H  
HETATM   96  H   UNK     1      -1.627   0.671   4.339  1.00  0.00           H  
HETATM   97  H   UNK     1       0.991   0.855   5.382  1.00  0.00           H  
CONECT    1    2   49   50                                            
CONECT    2    1    3    6   51                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   52                                                 
CONECT    6    2    7   53   54                                       
CONECT    7    6    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   48                                       
CONECT   19   18   18                                                 
CONECT   20   21   24   65                                            
CONECT   21   20   22   66   67                                       
CONECT   22   21   23   23   39                                       
CONECT   23   22   22                                                 
CONECT   24   20   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   28   68                                       
CONECT   27   26   37   69                                            
CONECT   28   26   29   70   71                                       
CONECT   29   28   72                                                 
CONECT   30   31   34   35   73                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   74                                                 
CONECT   34   30   75   76                                            
CONECT   35   30   36   77   78                                       
CONECT   36   35   37   79   80                                       
CONECT   37   27   36   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   22   40   81                                            
CONECT   40   39   41   82   83                                       
CONECT   41   40   43   84   85                                       
CONECT   42   43   44   86                                            
CONECT   43   41   42   87   88                                       
CONECT   44   42   45   89   90                                       
CONECT   45   44   46   91   92                                       
CONECT   46   45   47   93   94                                       
CONECT   47   46   48   95   96                                       
CONECT   48   18   47   97                                            
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
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   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
