COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       9.358  -0.675  -2.203  1.00  0.00           O  
HETATM    2  O   UNL     1       6.251  -2.252   2.362  1.00  0.00           O  
HETATM    3  N   UNL     1       9.411  -0.158  -0.043  1.00  0.00           N  
HETATM    4  C   UNL     1       6.316  -1.149   1.862  1.00  0.00           C  
HETATM    5  N   UNL     1      12.126   0.863  -0.559  1.00  0.00           N  
HETATM    6  C   UNL     1       7.659  -0.506   1.627  1.00  0.00           C  
HETATM    7  N   UNL     1      13.230   1.196  -1.133  1.00  0.00           N  
HETATM    8  C   UNL     1       8.056  -0.676   0.159  1.00  0.00           C  
HETATM    9  N   UNL     1      13.182   0.886  -2.381  1.00  0.00           N  
HETATM   10  C   UNL     1       9.974  -0.203  -1.267  1.00  0.00           C  
HETATM   11  N   UNL     1      12.040   0.344  -2.639  1.00  0.00           N  
HETATM   12  C   UNL     1      11.342   0.320  -1.471  1.00  0.00           C  
HETATM   13  N   UNL     1       8.665  -1.146   2.484  1.00  0.00           N  
HETATM   14  N   UNL     1       5.188  -0.499   1.516  1.00  0.00           N  
HETATM   15  C   UNL     1       3.882  -1.124   1.744  1.00  0.00           C  
HETATM   16  C   UNL     1       2.876  -0.553   0.779  1.00  0.00           C  
HETATM   17  O   UNL     1       3.113   0.486   0.199  1.00  0.00           O  
HETATM   18  C   UNL     1       3.428  -0.846   3.178  1.00  0.00           C  
HETATM   19  C   UNL     1       3.194   0.655   3.358  1.00  0.00           C  
HETATM   20  C   UNL     1       2.127  -1.602   3.457  1.00  0.00           C  
HETATM   21  N   UNL     1       1.712  -1.196   0.560  1.00  0.00           N  
HETATM   22  C   UNL     1       0.677  -0.576  -0.271  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.661  -1.187   0.054  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.717  -2.257   0.622  1.00  0.00           O  
HETATM   25  C   UNL     1       1.000  -0.810  -1.748  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.031  -0.088  -2.617  1.00  0.00           C  
HETATM   27  C   UNL     1       0.084   1.422  -2.396  1.00  0.00           C  
HETATM   28  C   UNL     1       0.228  -0.410  -4.090  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.201  -0.165  -1.850  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.602  -1.392   1.061  1.00  0.00           O  
HETATM   31  N   UNL     1      -1.796  -0.544  -0.287  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.213  -0.192  -0.422  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.097  -1.110   0.080  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.989   1.223   0.116  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.949   3.506   0.249  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.283   4.441  -0.521  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.081   5.719  -0.034  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.544   6.062   1.222  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.210   5.126   1.992  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.418   3.850   1.503  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.543  -0.708   0.061  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.169   2.112  -0.281  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.269  -1.917  -1.394  1.00  0.00           C  
HETATM   44  O   UNL     1     -11.088  -1.893  -2.595  1.00  0.00           O  
HETATM   45  O   UNL     1     -12.466  -2.288  -0.901  1.00  0.00           O  
HETATM   46  C   UNL     1     -10.176  -1.538  -0.475  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.935  -1.153  -0.984  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.915  -0.799  -0.115  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.131  -0.823   1.258  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.361  -1.205   1.762  1.00  0.00           C  
HETATM   51  C   UNL     1     -10.381  -1.564   0.906  1.00  0.00           C  
HETATM   52  N   UNL     1      -6.668  -0.411  -0.620  1.00  0.00           N  
HETATM   53  H   UNL     1       9.903   0.219   0.703  1.00  0.00           H  
HETATM   54  H   UNL     1       7.600   0.556   1.866  1.00  0.00           H  
HETATM   55  H   UNL     1       7.358  -0.126  -0.472  1.00  0.00           H  
HETATM   56  H   UNL     1       8.028  -1.734  -0.104  1.00  0.00           H  
HETATM   57  H   UNL     1      11.736   0.020  -3.501  1.00  0.00           H  
HETATM   58  H   UNL     1       8.460  -0.992   3.460  1.00  0.00           H  
HETATM   59  H   UNL     1       8.739  -2.132   2.282  1.00  0.00           H  
HETATM   60  H   UNL     1       5.239   0.383   1.115  1.00  0.00           H  
HETATM   61  H   UNL     1       3.963  -2.200   1.590  1.00  0.00           H  
HETATM   62  H   UNL     1       4.198  -1.179   3.875  1.00  0.00           H  
HETATM   63  H   UNL     1       2.424   0.988   2.662  1.00  0.00           H  
HETATM   64  H   UNL     1       2.870   0.853   4.379  1.00  0.00           H  
HETATM   65  H   UNL     1       4.120   1.194   3.159  1.00  0.00           H  
HETATM   66  H   UNL     1       2.278  -2.665   3.269  1.00  0.00           H  
HETATM   67  H   UNL     1       1.837  -1.455   4.497  1.00  0.00           H  
HETATM   68  H   UNL     1       1.341  -1.225   2.803  1.00  0.00           H  
HETATM   69  H   UNL     1       1.559  -2.070   0.952  1.00  0.00           H  
HETATM   70  H   UNL     1       0.645   0.496  -0.072  1.00  0.00           H  
HETATM   71  H   UNL     1       1.995  -0.424  -1.968  1.00  0.00           H  
HETATM   72  H   UNL     1       0.970  -1.879  -1.961  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.033  -0.420  -2.343  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.581   1.941  -3.086  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.197   1.661  -1.371  1.00  0.00           H  
HETATM   76  H   UNL     1       1.111   1.738  -2.575  1.00  0.00           H  
HETATM   77  H   UNL     1       0.146  -1.485  -4.247  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.507   0.105  -4.709  1.00  0.00           H  
HETATM   79  H   UNL     1       1.229  -0.078  -4.364  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.337  -1.030  -2.261  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.752   0.293  -0.775  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.205  -2.095  -0.374  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.161  -1.201   1.164  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.909   1.190   1.203  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.069   1.630  -0.303  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.921   4.173  -1.503  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.561   6.450  -0.636  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.386   7.060   1.602  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.572   5.394   2.974  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.938   3.119   2.105  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.249   2.145  -1.368  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.089   1.705   0.139  1.00  0.00           H  
HETATM   93  H   UNL     1     -13.150  -2.527  -1.541  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.770  -1.130  -2.051  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.336  -0.543   1.933  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.522  -1.222   2.830  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.340  -1.862   1.304  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.614   0.071  -1.459  1.00  0.00           H  
CONECT    1   10   10                                                 
CONECT    2    4    4                                                 
CONECT    3    8   10   53                                            
CONECT    4    2    2    6   14                                       
CONECT    5    7   12   12                                            
CONECT    6    4    8   13   54                                       
CONECT    7    5    9    9                                            
CONECT    8    3    6   55   56                                       
CONECT    9    7    7   11                                            
CONECT   10    1    1    3   12                                       
CONECT   11    9   12   57                                            
CONECT   12    5    5   10   11                                       
CONECT   13    6   58   59                                            
CONECT   14   15   60    4                                            
CONECT   15   14   16   18   61                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   20   62                                       
CONECT   19   18   63   64   65                                       
CONECT   20   18   66   67   68                                       
CONECT   21   22   69   16                                            
CONECT   22   21   23   25   70                                       
CONECT   23   22   24   24   31                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   71   72                                       
CONECT   26   25   27   28   73                                       
CONECT   27   26   74   75   76                                       
CONECT   28   26   77   78   79                                       
CONECT   29   32   80                                                 
CONECT   30   41   41                                                 
CONECT   31   33   81   23                                            
CONECT   32   29   33   34   41                                       
CONECT   33   31   32   82   83                                       
CONECT   34   32   42   84   85                                       
CONECT   35   36   36   40   42                                       
CONECT   36   35   35   37   86                                       
CONECT   37   36   38   38   87                                       
CONECT   38   37   37   39   88                                       
CONECT   39   38   40   40   89                                       
CONECT   40   35   39   39   90                                       
CONECT   41   30   30   32   52                                       
CONECT   42   34   35   91   92                                       
CONECT   43   44   44   45   46                                       
CONECT   44   43   43                                                 
CONECT   45   43   93                                                 
CONECT   46   43   47   51   51                                       
CONECT   47   46   48   48   94                                       
CONECT   48   47   47   49   52                                       
CONECT   49   48   50   50   95                                       
CONECT   50   49   49   51   96                                       
CONECT   51   46   46   50   97                                       
CONECT   52   48   98   41                                            
CONECT   53    3                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   31                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   45                                                      
CONECT   94   47                                                      
CONECT   95   49                                                      
CONECT   96   50                                                      
CONECT   97   51                                                      
CONECT   98   52                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
