COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.781  -5.985  -0.126  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.250  -0.960   0.579  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.317  -1.076  -0.511  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.946  -1.337   0.028  1.00  0.00           N  
HETATM    5  C   UNL     1      -9.027  -0.062  -1.619  1.00  0.00           C  
HETATM    6  O   UNL     1      -9.322  -1.418   2.892  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.518  -0.972  -0.276  1.00  0.00           C  
HETATM    8  O   UNL     1       1.170   1.928   0.434  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.150  -4.648  -0.611  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.860  -0.584   0.292  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.450  -4.202   0.062  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.834  -2.810  -0.443  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.962   0.405   0.985  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.134  -2.364   0.229  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.249   1.189  -1.103  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.508  -0.001   0.153  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.394   0.181  -0.583  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.227  -0.459  -1.600  1.00  0.00           O  
HETATM   19  B   UNL     1      -8.611  -1.918   1.769  1.00  0.00           B  
HETATM   20  C   UNL     1     -10.014  -0.267  -2.770  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.177   1.356  -1.065  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.354   1.179  -0.142  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.983   2.572  -0.072  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.964   3.563   0.494  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.592   4.957   0.563  1.00  0.00           C  
HETATM   26  C   UNL     1       0.980   1.583  -0.713  1.00  0.00           C  
HETATM   27  C   UNL     1       2.117   1.594  -1.701  1.00  0.00           C  
HETATM   28  C   UNL     1       3.373   2.070  -1.018  1.00  0.00           C  
HETATM   29  C   UNL     1       4.216   1.160  -0.409  1.00  0.00           C  
HETATM   30  C   UNL     1       5.368   1.597   0.219  1.00  0.00           C  
HETATM   31  C   UNL     1       5.676   2.944   0.238  1.00  0.00           C  
HETATM   32  C   UNL     1       4.832   3.855  -0.371  1.00  0.00           C  
HETATM   33  C   UNL     1       3.684   3.417  -1.004  1.00  0.00           C  
HETATM   34  O   UNL     1      -8.228  -3.284   1.723  1.00  0.00           O  
HETATM   35  H   UNL     1      -1.529  -6.644  -0.280  1.00  0.00           H  
HETATM   36  H   UNL     1       0.075  -6.302  -0.556  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.209   0.068   0.939  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.303  -2.083  -0.928  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.299  -0.874  -0.082  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.864  -2.129  -0.527  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.009  -0.203  -1.984  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.606  -0.498   2.800  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.573  -0.983  -1.364  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.356  -3.942  -0.369  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.292  -4.679  -1.691  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.245  -4.908  -0.180  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.309  -4.171   1.142  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.040  -2.104  -0.201  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.976  -2.841  -1.523  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.993  -2.333   1.309  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.929  -3.070  -0.013  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.401   0.914  -2.020  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.641   0.510   0.966  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.031  -0.126  -2.406  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.807   0.455  -3.560  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.906  -1.278  -3.165  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.920   2.078  -1.840  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.208   1.515  -0.748  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.511   1.486  -0.212  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.978   0.901   0.842  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.280   2.887  -1.073  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.860   2.543   0.575  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.667   3.248   1.494  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.087   3.592  -0.153  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.469   4.928   1.210  1.00  0.00           H  
HETATM   66  C   UNL     1      -0.574   5.948   1.129  1.00  0.00           C  
HETATM   67  H   UNL     1      -1.889   5.272  -0.437  1.00  0.00           H  
HETATM   68  H   UNL     1       2.273   0.586  -2.087  1.00  0.00           H  
HETATM   69  H   UNL     1       1.875   2.265  -2.526  1.00  0.00           H  
HETATM   70  H   UNL     1       3.975   0.107  -0.423  1.00  0.00           H  
HETATM   71  C   UNL     1       6.287   0.604   0.883  1.00  0.00           C  
HETATM   72  H   UNL     1       6.575   3.286   0.729  1.00  0.00           H  
HETATM   73  H   UNL     1       5.073   4.907  -0.357  1.00  0.00           H  
HETATM   74  H   UNL     1       3.025   4.128  -1.480  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.749  -3.531   0.920  1.00  0.00           H  
HETATM   76  N   UNL     1      -1.177   7.286   1.196  1.00  0.00           N  
HETATM   77  H   UNL     1      -0.277   5.633   2.130  1.00  0.00           H  
HETATM   78  H   UNL     1       0.303   5.977   0.483  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.523   7.959   1.567  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.519   7.574   0.292  1.00  0.00           H  
HETATM   81  C   UNL     1       7.328   0.118  -0.127  1.00  0.00           C  
HETATM   82  C   UNL     1       8.247  -0.874   0.538  1.00  0.00           C  
HETATM   83  O   UNL     1       8.086  -1.163   1.699  1.00  0.00           O  
HETATM   84  C   UNL     1       9.368  -1.506  -0.248  1.00  0.00           C  
HETATM   85  H   UNL     1       6.791   1.082   1.724  1.00  0.00           H  
HETATM   86  H   UNL     1       5.706  -0.244   1.243  1.00  0.00           H  
HETATM   87  H   UNL     1       6.824  -0.359  -0.967  1.00  0.00           H  
HETATM   88  H   UNL     1       7.909   0.967  -0.487  1.00  0.00           H  
HETATM   89  H   UNL     1       9.881  -0.740  -0.829  1.00  0.00           H  
HETATM   90  N   UNL     1      10.316  -2.136   0.675  1.00  0.00           N  
HETATM   91  C   UNL     1       8.794  -2.565  -1.192  1.00  0.00           C  
HETATM   92  C   UNL     1      11.625  -2.318   0.297  1.00  0.00           C  
HETATM   93  N   UNL     1      12.468  -2.878   1.117  1.00  0.00           N  
HETATM   94  N   UNL     1      12.044  -1.909  -0.947  1.00  0.00           N  
HETATM   95  H   UNL     1      10.019  -2.425   1.552  1.00  0.00           H  
HETATM   96  H   UNL     1       8.089  -2.096  -1.878  1.00  0.00           H  
HETATM   97  H   UNL     1       9.605  -3.022  -1.760  1.00  0.00           H  
HETATM   98  H   UNL     1       8.281  -3.331  -0.610  1.00  0.00           H  
HETATM   99  H   UNL     1      13.392  -3.007   0.851  1.00  0.00           H  
HETATM  100  H   UNL     1      11.417  -1.492  -1.558  1.00  0.00           H  
HETATM  101  H   UNL     1      12.968  -2.037  -1.214  1.00  0.00           H  
CONECT    1    9   35   36                                            
CONECT    2    3   19    4   37                                       
CONECT    3    5    2   38   39                                       
CONECT    4    2   10   40                                            
CONECT    5   21   20    3   41                                       
CONECT    6   19   42                                                 
CONECT    7   10   16   14   43                                       
CONECT    8   26   26                                                 
CONECT    9   11    1   44   45                                       
CONECT   10    4   13   13    7                                       
CONECT   11   12    9   46   47                                       
CONECT   12   14   11   48   49                                       
CONECT   13   10   10                                                 
CONECT   14    7   12   50   51                                       
CONECT   15   22   26   52                                            
CONECT   16   17    7   53                                            
CONECT   17   18   18   22   16                                       
CONECT   18   17   17                                                 
CONECT   19    6    2   34                                            
CONECT   20    5   54   55   56                                       
CONECT   21    5   57   58   59                                       
CONECT   22   23   17   15   60                                       
CONECT   23   24   22   61   62                                       
CONECT   24   25   23   63   64                                       
CONECT   25   24   65   66   67                                       
CONECT   26   15    8    8   27                                       
CONECT   27   28   26   68   69                                       
CONECT   28   29   29   33   27                                       
CONECT   29   30   28   28   70                                       
CONECT   30   31   31   29   71                                       
CONECT   31   30   30   32   72                                       
CONECT   32   31   33   33   73                                       
CONECT   33   32   32   28   74                                       
CONECT   34   19   75                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25   76   77   78                                       
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   30   81   85   86                                       
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   66   79   80                                            
CONECT   77   66                                                      
CONECT   78   66                                                      
CONECT   79   76                                                      
CONECT   80   76                                                      
CONECT   81   71   82   87   88                                       
CONECT   82   81   83   83   84                                       
CONECT   83   82   82                                                 
CONECT   84   82   89   90   91                                       
CONECT   85   71                                                      
CONECT   86   71                                                      
CONECT   87   81                                                      
CONECT   88   81                                                      
CONECT   89   84                                                      
CONECT   90   84   92   95                                            
CONECT   91   84   96   97   98                                       
CONECT   92   90   93   93   94                                       
CONECT   93   92   92   99                                            
CONECT   94   92  100  101                                            
CONECT   95   90                                                      
CONECT   96   91                                                      
CONECT   97   91                                                      
CONECT   98   91                                                      
CONECT   99   93                                                      
CONECT  100   94                                                      
CONECT  101   94                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
