COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.414  -1.721  -0.333  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.549  -0.536  -0.136  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.780  -0.007  -0.048  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.901  -0.916  -0.199  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.211  -0.136  -0.069  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.325   0.787  -1.154  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.391  -1.111  -0.103  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.605  -0.397   0.134  1.00  0.00           O  
HETATM    9  P   UNL     1      -9.049  -1.109   0.169  1.00  0.00           P  
HETATM   10  O   UNL     1      -9.031  -2.212   1.156  1.00  0.00           O  
HETATM   11  O   UNL     1     -10.169  -0.032   0.589  1.00  0.00           O  
HETATM   12  O   UNL     1      -9.391  -1.699  -1.289  1.00  0.00           O  
HETATM   13  C   UNL     1     -11.538  -0.378   0.809  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.337   0.345   0.016  1.00  0.00           C  
HETATM   15  C   UNL     1       0.930  -0.502  -0.119  1.00  0.00           C  
HETATM   16  C   UNL     1       2.161   0.393   0.035  1.00  0.00           C  
HETATM   17  C   UNL     1       3.428  -0.454  -0.100  1.00  0.00           C  
HETATM   18  C   UNL     1       4.659   0.441   0.055  1.00  0.00           C  
HETATM   19  C   UNL     1       5.926  -0.407  -0.080  1.00  0.00           C  
HETATM   20  C   UNL     1       7.157   0.488   0.074  1.00  0.00           C  
HETATM   21  C   UNL     1       8.424  -0.359  -0.061  1.00  0.00           C  
HETATM   22  C   UNL     1       9.655   0.536   0.094  1.00  0.00           C  
HETATM   23  C   UNL     1      10.922  -0.311  -0.041  1.00  0.00           C  
HETATM   24  C   UNL     1      12.153   0.584   0.113  1.00  0.00           C  
HETATM   25  C   UNL     1      13.420  -0.264  -0.022  1.00  0.00           C  
HETATM   26  C   UNL     1      14.651   0.631   0.133  1.00  0.00           C  
HETATM   27  C   UNL     1      15.918  -0.216  -0.002  1.00  0.00           C  
HETATM   28  C   UNL     1      17.149   0.679   0.152  1.00  0.00           C  
HETATM   29  C   UNL     1      18.416  -0.168   0.017  1.00  0.00           C  
HETATM   30  C   UNL     1      19.647   0.727   0.172  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.326   0.876   1.192  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.903   1.090  -1.126  1.00  0.00           C  
HETATM   33  C   UNL     1     -13.237   2.937   0.368  1.00  0.00           C  
HETATM   34  N   UNL     1     -12.370   1.795   0.047  1.00  0.00           N1+
HETATM   35  C   UNL     1     -11.014   2.277  -0.247  1.00  0.00           C  
HETATM   36  H   UNL     1      19.638   1.493  -0.603  1.00  0.00           H  
HETATM   37  H   UNL     1      19.630   1.202   1.153  1.00  0.00           H  
HETATM   38  H   UNL     1      20.549   0.123   0.076  1.00  0.00           H  
HETATM   39  H   UNL     1      18.424  -0.935   0.792  1.00  0.00           H  
HETATM   40  H   UNL     1      18.432  -0.643  -0.964  1.00  0.00           H  
HETATM   41  H   UNL     1      17.140   1.446  -0.623  1.00  0.00           H  
HETATM   42  H   UNL     1      17.132   1.154   1.133  1.00  0.00           H  
HETATM   43  H   UNL     1      15.926  -0.983   0.772  1.00  0.00           H  
HETATM   44  H   UNL     1      15.934  -0.691  -0.983  1.00  0.00           H  
HETATM   45  H   UNL     1      14.642   1.398  -0.642  1.00  0.00           H  
HETATM   46  H   UNL     1      14.634   1.106   1.114  1.00  0.00           H  
HETATM   47  H   UNL     1      13.428  -1.030   0.753  1.00  0.00           H  
HETATM   48  H   UNL     1      13.436  -0.738  -1.003  1.00  0.00           H  
HETATM   49  H   UNL     1      12.144   1.350  -0.661  1.00  0.00           H  
HETATM   50  H   UNL     1      12.136   1.058   1.094  1.00  0.00           H  
HETATM   51  H   UNL     1      10.930  -1.078   0.734  1.00  0.00           H  
HETATM   52  H   UNL     1      10.938  -0.786  -1.022  1.00  0.00           H  
HETATM   53  H   UNL     1       9.646   1.303  -0.681  1.00  0.00           H  
HETATM   54  H   UNL     1       9.638   1.011   1.075  1.00  0.00           H  
HETATM   55  H   UNL     1       8.432  -1.126   0.714  1.00  0.00           H  
HETATM   56  H   UNL     1       8.441  -0.834  -1.042  1.00  0.00           H  
HETATM   57  H   UNL     1       7.148   1.255  -0.701  1.00  0.00           H  
HETATM   58  H   UNL     1       7.140   0.963   1.055  1.00  0.00           H  
HETATM   59  H   UNL     1       5.934  -1.173   0.695  1.00  0.00           H  
HETATM   60  H   UNL     1       5.943  -0.881  -1.061  1.00  0.00           H  
HETATM   61  H   UNL     1       4.650   1.207  -0.720  1.00  0.00           H  
HETATM   62  H   UNL     1       4.642   0.915   1.036  1.00  0.00           H  
HETATM   63  H   UNL     1       3.437  -1.221   0.675  1.00  0.00           H  
HETATM   64  H   UNL     1       3.445  -0.929  -1.081  1.00  0.00           H  
HETATM   65  H   UNL     1       2.152   1.160  -0.739  1.00  0.00           H  
HETATM   66  H   UNL     1       2.144   0.868   1.016  1.00  0.00           H  
HETATM   67  H   UNL     1       0.938  -1.269   0.656  1.00  0.00           H  
HETATM   68  H   UNL     1       0.947  -0.977  -1.100  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.345   1.112  -0.759  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.354   0.820   0.997  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.856  -1.390  -1.179  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.856  -1.681   0.576  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.218   0.409   0.874  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.326   0.370  -2.027  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.437  -1.592  -1.080  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.258  -1.869   0.669  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.420  -1.030  -1.987  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.956  -0.806  -0.102  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.602  -1.108   1.617  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.341   0.596   1.472  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.839   1.368   2.034  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.910   0.732  -0.909  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.936   1.772  -1.976  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.260   0.243  -1.365  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.841   3.460   1.238  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.269   3.619  -0.482  1.00  0.00           H  
HETATM   87  H   UNL     1     -14.243   2.579   0.586  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.424   1.466  -0.672  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.067   3.100  -0.959  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.544   2.624   0.674  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   14    3                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   71   72                                       
CONECT    5    4    6    7   73                                       
CONECT    6    5   74                                                 
CONECT    7    5    8   75   76                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   10   12                                       
CONECT    9   11                                                      
CONECT   10    9    9                                                 
CONECT   11    9   13                                                 
CONECT   12    9   77                                                 
CONECT   13   11   31   78   79                                       
CONECT   14    2   15   69   70                                       
CONECT   15   14   16   67   68                                       
CONECT   16   15   17   65   66                                       
CONECT   17   16   18   63   64                                       
CONECT   18   17   19   61   62                                       
CONECT   19   18   20   59   60                                       
CONECT   20   19   21   57   58                                       
CONECT   21   20   22   55   56                                       
CONECT   22   21   23   53   54                                       
CONECT   23   22   24   51   52                                       
CONECT   24   23   25   49   50                                       
CONECT   25   24   26   47   48                                       
CONECT   26   25   27   45   46                                       
CONECT   27   26   28   43   44                                       
CONECT   28   27   29   41   42                                       
CONECT   29   28   30   39   40                                       
CONECT   30   29   36   37   38                                       
CONECT   31   13   34   80   81                                       
CONECT   32   34   82   83   84                                       
CONECT   33   34   85   86   87                                       
CONECT   34   31   32   33   35                                       
CONECT   35   34   88   89   90                                       
CONECT   36   30                                                      
CONECT   37   30                                                      
CONECT   38   30                                                      
CONECT   39   29                                                      
CONECT   40   29                                                      
CONECT   41   28                                                      
CONECT   42   28                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71    4                                                      
CONECT   72    4                                                      
CONECT   73    5                                                      
CONECT   74    6                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   13                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
