COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.646   0.530   3.484  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.351   0.153   2.375  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.365   0.217   1.262  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.675   0.796   1.799  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.705   0.861   0.669  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.016   1.440   1.206  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.045   1.505   0.076  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.356   2.084   0.613  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.385   2.149  -0.517  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.696   2.727   0.020  1.00  0.00           C  
HETATM   11  C   UNL     1     -11.725   2.793  -1.110  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.036   3.372  -0.573  1.00  0.00           C  
HETATM   13  C   UNL     1     -14.066   3.437  -1.703  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.118  -0.319   2.132  1.00  0.00           O  
HETATM   15  C   UNL     1       0.809  -0.347   3.250  1.00  0.00           C  
HETATM   16  C   UNL     1       2.152  -0.912   2.785  1.00  0.00           C  
HETATM   17  C   UNL     1       1.934  -2.282   2.140  1.00  0.00           C  
HETATM   18  O   UNL     1       0.970  -2.166   1.091  1.00  0.00           O  
HETATM   19  P   UNL     1       0.496  -3.416   0.194  1.00  0.00           P  
HETATM   20  O   UNL     1       2.747  -0.010   1.815  1.00  0.00           O  
HETATM   21  C   UNL     1       4.088   0.029   1.761  1.00  0.00           C  
HETATM   22  O   UNL     1       4.742  -0.668   2.499  1.00  0.00           O  
HETATM   23  C   UNL     1       4.776   0.941   0.779  1.00  0.00           C  
HETATM   24  C   UNL     1       6.292   0.794   0.922  1.00  0.00           C  
HETATM   25  C   UNL     1       6.991   1.720  -0.075  1.00  0.00           C  
HETATM   26  C   UNL     1       8.507   1.572   0.068  1.00  0.00           C  
HETATM   27  C   UNL     1       9.206   2.499  -0.929  1.00  0.00           C  
HETATM   28  C   UNL     1      10.722   2.351  -0.786  1.00  0.00           C  
HETATM   29  C   UNL     1      11.422   3.277  -1.783  1.00  0.00           C  
HETATM   30  C   UNL     1      12.938   3.130  -1.640  1.00  0.00           C  
HETATM   31  C   UNL     1      13.637   4.056  -2.637  1.00  0.00           C  
HETATM   32  O   UNL     1       0.003  -4.497   1.076  1.00  0.00           O  
HETATM   33  O   UNL     1       1.740  -3.957  -0.673  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.685  -2.950  -0.795  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.390  -3.855  -1.647  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.442  -3.086  -2.450  1.00  0.00           C  
HETATM   37  N   UNL     1      -1.772  -2.167  -3.380  1.00  0.00           N1+
HETATM   38  C   UNL     1      -1.052  -1.138  -2.619  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.820  -2.918  -4.210  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.775  -1.528  -4.242  1.00  0.00           C  
HETATM   41  H   UNL     1      -1.987   0.855   0.462  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.542  -0.785   0.873  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.053   0.158   2.598  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.498   1.798   2.187  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.327   1.499  -0.131  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.393   0.802   2.005  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.667   2.143  -0.723  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.223   0.502  -0.313  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.734   1.446   1.412  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.178   3.086   1.002  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.007   2.787  -1.316  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.563   1.146  -0.905  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.074   2.090   0.819  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.518   3.730   0.409  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.347   3.431  -1.909  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.903   1.790  -1.498  1.00  0.00           H  
HETATM   57  H   UNL     1     -13.414   2.734   0.227  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.858   4.374  -0.184  1.00  0.00           H  
HETATM   59  H   UNL     1     -14.999   3.849  -1.320  1.00  0.00           H  
HETATM   60  H   UNL     1     -13.688   4.075  -2.502  1.00  0.00           H  
HETATM   61  H   UNL     1     -14.243   2.434  -2.091  1.00  0.00           H  
HETATM   62  H   UNL     1       0.952   0.665   3.629  1.00  0.00           H  
HETATM   63  H   UNL     1       0.404  -0.977   4.042  1.00  0.00           H  
HETATM   64  H   UNL     1       2.819  -1.016   3.641  1.00  0.00           H  
HETATM   65  H   UNL     1       2.876  -2.645   1.730  1.00  0.00           H  
HETATM   66  H   UNL     1       1.570  -2.983   2.891  1.00  0.00           H  
HETATM   67  H   UNL     1       4.479   0.674  -0.235  1.00  0.00           H  
HETATM   68  H   UNL     1       4.491   1.974   0.981  1.00  0.00           H  
HETATM   69  H   UNL     1       6.589   1.061   1.936  1.00  0.00           H  
HETATM   70  H   UNL     1       6.577  -0.239   0.720  1.00  0.00           H  
HETATM   71  H   UNL     1       6.694   1.453  -1.089  1.00  0.00           H  
HETATM   72  H   UNL     1       8.804   1.839   1.082  1.00  0.00           H  
HETATM   73  H   UNL     1       8.909   2.232  -1.943  1.00  0.00           H  
HETATM   74  H   UNL     1       8.921   3.531  -0.727  1.00  0.00           H  
HETATM   75  H   UNL     1      11.020   2.618   0.228  1.00  0.00           H  
HETATM   76  H   UNL     1      11.008   1.318  -0.988  1.00  0.00           H  
HETATM   77  H   UNL     1      11.124   3.010  -2.797  1.00  0.00           H  
HETATM   78  H   UNL     1      11.136   4.310  -1.581  1.00  0.00           H  
HETATM   79  H   UNL     1      13.235   3.397  -0.626  1.00  0.00           H  
HETATM   80  H   UNL     1      13.223   2.097  -1.842  1.00  0.00           H  
HETATM   81  H   UNL     1      13.340   3.789  -3.651  1.00  0.00           H  
HETATM   82  H   UNL     1      13.351   5.089  -2.435  1.00  0.00           H  
HETATM   83  H   UNL     1      14.717   3.951  -2.535  1.00  0.00           H  
HETATM   84  H   UNL     1       2.115  -3.300  -1.275  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.688  -4.332  -2.331  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.881  -4.617  -1.041  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.055  -3.790  -3.012  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.074  -2.516  -1.768  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.185  -1.585  -2.132  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.722  -0.350  -3.296  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.714  -0.715  -1.864  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.355  -3.682  -4.775  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.324  -2.237  -4.900  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.077  -3.393  -3.570  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.481  -0.970  -3.627  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.278  -0.846  -4.933  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.309  -2.291  -4.807  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.882  -0.141   0.280  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.838   2.443   1.594  1.00  0.00           H  
HETATM  100  H   UNL     1       6.706   2.752   0.127  1.00  0.00           H  
HETATM  101  H   UNL     1       8.792   0.540  -0.134  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   14                                       
CONECT    3    4    2   41   42                                       
CONECT    4    5    3   43   44                                       
CONECT    5    6    4   45   98                                       
CONECT    6    7    5   46   99                                       
CONECT    7    8    6   47   48                                       
CONECT    8    9    7   49   50                                       
CONECT    9   10    8   51   52                                       
CONECT   10   11    9   53   54                                       
CONECT   11   12   10   55   56                                       
CONECT   12   13   11   57   58                                       
CONECT   13   12   59   60   61                                       
CONECT   14    2   15                                                 
CONECT   15   14   16   62   63                                       
CONECT   16   20   15   17   64                                       
CONECT   17   16   18   65   66                                       
CONECT   18   17   19                                                 
CONECT   19   18   34   32   32                                       
CONECT   19   33                                                      
CONECT   20   21   16                                                 
CONECT   21   23   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   67   68                                       
CONECT   24   25   23   69   70                                       
CONECT   25   26   24   71  100                                       
CONECT   26   27   25   72  101                                       
CONECT   27   28   26   73   74                                       
CONECT   28   29   27   75   76                                       
CONECT   29   30   28   77   78                                       
CONECT   30   31   29   79   80                                       
CONECT   31   30   81   82   83                                       
CONECT   32   19   19                                                 
CONECT   33   19   84                                                 
CONECT   34   35   19                                                 
CONECT   35   36   34   85   86                                       
CONECT   36   37   35   87   88                                       
CONECT   37   38   36   39   40                                       
CONECT   38   37   89   90   91                                       
CONECT   39   37   92   93   94                                       
CONECT   40   37   95   96   97                                       
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   33                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98    5                                                      
CONECT   99    6                                                      
CONECT  100   25                                                      
CONECT  101   26                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
