COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.611   4.868  -0.304  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.448   2.454  -1.365  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.631   1.574  -1.679  1.00  0.00           C  
HETATM    4  N   UNL     1       6.593   3.032  -1.291  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.911   2.238  -1.168  1.00  0.00           C  
HETATM    6  O   UNL     1       6.461  -1.214  -0.169  1.00  0.00           O  
HETATM    7  C   UNL     1       4.305   3.417   0.269  1.00  0.00           C  
HETATM    8  C   UNL     1       0.734   3.521   0.034  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.459   4.404  -0.336  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.636   3.544  -0.569  1.00  0.00           N  
HETATM   11  C   UNL     1       2.032   4.186  -0.427  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.350   2.194  -1.808  1.00  0.00           O  
HETATM   13  C   UNL     1       3.049   4.168   0.716  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.075  -0.642  -3.027  1.00  0.00           O  
HETATM   15  C   UNL     1       6.576   4.082  -0.403  1.00  0.00           C  
HETATM   16  N   UNL     1      -8.843   1.878  -1.022  1.00  0.00           N  
HETATM   17  N   UNL     1       5.468   4.301   0.380  1.00  0.00           N  
HETATM   18  C   UNL     1       4.508   2.207   1.147  1.00  0.00           C  
HETATM   19  O   UNL     1       4.067   2.178   2.276  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.122   1.407  -1.595  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.403   2.071  -1.084  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.614   1.240  -1.512  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.190  -0.794  -1.829  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.040  -2.160  -1.210  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.618  -2.016   0.254  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.673  -1.249   1.008  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.982  -1.598   0.872  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.968  -0.885   1.574  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.329  -1.217   1.459  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.257  -0.504   2.155  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.878   0.553   2.981  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.570   0.902   3.117  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.583   0.189   2.415  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.222   0.521   2.530  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.294  -0.196   1.839  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.311  -3.834  -1.229  1.00  0.00           C  
HETATM   37  C   UNL     1       0.763  -4.636  -1.922  1.00  0.00           C  
HETATM   38  C   UNL     1       1.861  -4.938  -0.934  1.00  0.00           C  
HETATM   39  C   UNL     1       2.985  -4.137  -0.880  1.00  0.00           C  
HETATM   40  C   UNL     1       3.985  -4.410   0.036  1.00  0.00           C  
HETATM   41  C   UNL     1       5.212  -3.537   0.098  1.00  0.00           C  
HETATM   42  C   UNL     1       5.632  -1.240   0.716  1.00  0.00           C  
HETATM   43  C   UNL     1       5.366  -0.011   1.549  1.00  0.00           C  
HETATM   44  C   UNL     1       3.861  -5.488   0.892  1.00  0.00           C  
HETATM   45  C   UNL     1       2.740  -6.295   0.830  1.00  0.00           C  
HETATM   46  C   UNL     1       1.740  -6.018  -0.082  1.00  0.00           C  
HETATM   47  N   UNL     1      -2.456   0.268  -1.018  1.00  0.00           N  
HETATM   48  N   UNL     1      -1.006  -2.909  -1.957  1.00  0.00           N  
HETATM   49  N   UNL     1       4.930  -2.378   0.969  1.00  0.00           N  
HETATM   50  N   UNL     1       5.200   1.144   0.637  1.00  0.00           N  
HETATM   51  O   UNL     1      -0.552  -4.006  -0.053  1.00  0.00           O  
HETATM   52  H   UNL     1       7.599   5.609   0.322  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.701   1.430  -2.757  1.00  0.00           H  
HETATM   54  H   UNL     1       7.375   2.877  -1.844  1.00  0.00           H  
HETATM   55  H   UNL     1       5.823   2.447  -1.365  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.879   2.301  -0.080  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.992   3.241  -1.587  1.00  0.00           H  
HETATM   58  H   UNL     1       4.188   3.099  -0.767  1.00  0.00           H  
HETATM   59  H   UNL     1       0.761   3.383   1.115  1.00  0.00           H  
HETATM   60  H   UNL     1       0.632   2.551  -0.453  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.668   5.096   0.479  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.231   4.964  -1.243  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.500   3.745  -0.176  1.00  0.00           H  
HETATM   64  H   UNL     1       2.435   3.643  -1.281  1.00  0.00           H  
HETATM   65  H   UNL     1       1.829   5.218  -0.715  1.00  0.00           H  
HETATM   66  H   UNL     1       2.615   3.666   1.581  1.00  0.00           H  
HETATM   67  H   UNL     1       3.314   5.191   0.984  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.658   1.347  -1.291  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.810   2.006  -0.021  1.00  0.00           H  
HETATM   70  H   UNL     1       5.456   5.042   1.007  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.155   1.345  -2.683  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.041   0.404  -1.176  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.371   2.134   0.003  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.484   3.074  -1.504  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.533   0.237  -1.093  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.646   1.178  -2.600  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.990  -2.692  -1.266  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.501  -3.005   0.697  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.671  -1.479   0.308  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.260  -2.419   0.228  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.637  -2.032   0.822  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.302  -0.760   2.065  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.635   1.102   3.522  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.291   1.724   3.761  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.914   1.334   3.170  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.249   0.061   1.929  1.00  0.00           H  
HETATM   87  H   UNL     1       0.339  -5.569  -2.293  1.00  0.00           H  
HETATM   88  H   UNL     1       1.167  -4.062  -2.756  1.00  0.00           H  
HETATM   89  H   UNL     1       3.084  -3.298  -1.554  1.00  0.00           H  
HETATM   90  H   UNL     1       6.046  -4.107   0.509  1.00  0.00           H  
HETATM   91  H   UNL     1       5.464  -3.188  -0.903  1.00  0.00           H  
HETATM   92  H   UNL     1       4.456  -0.153   2.132  1.00  0.00           H  
HETATM   93  H   UNL     1       6.208   0.168   2.219  1.00  0.00           H  
HETATM   94  H   UNL     1       4.639  -5.699   1.610  1.00  0.00           H  
HETATM   95  H   UNL     1       2.647  -7.142   1.494  1.00  0.00           H  
HETATM   96  H   UNL     1       0.863  -6.647  -0.128  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.526   0.169  -0.055  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.833  -2.754  -2.899  1.00  0.00           H  
HETATM   99  H   UNL     1       4.276  -2.425   1.684  1.00  0.00           H  
HETATM  100  H   UNL     1       5.559   1.146  -0.264  1.00  0.00           H  
CONECT    1   15   15   52                                            
CONECT    2    3   12   12   10                                       
CONECT    3    5   47    2   53                                       
CONECT    4   15   54   55                                            
CONECT    5   20    3   56   57                                       
CONECT    6   42   42                                                 
CONECT    7   18   17   13   58                                       
CONECT    8   11    9   59   60                                       
CONECT    9   10    8   61   62                                       
CONECT   10    2    9   63                                            
CONECT   11   13    8   64   65                                       
CONECT   12    2    2                                                 
CONECT   13    7   11   66   67                                       
CONECT   14   23   23                                                 
CONECT   15    1    1    4   17                                       
CONECT   16   22   68   69                                            
CONECT   17   15    7   70                                            
CONECT   18   19   19   50    7                                       
CONECT   19   18   18                                                 
CONECT   20   21    5   71   72                                       
CONECT   21   22   20   73   74                                       
CONECT   22   16   21   75   76                                       
CONECT   23   24   47   14   14                                       
CONECT   24   48   25   23   77                                       
CONECT   25   26   24   78   79                                       
CONECT   26   35   25   27   27                                       
CONECT   27   26   26   28   80                                       
CONECT   28   33   27   29   29                                       
CONECT   29   28   28   30   81                                       
CONECT   30   31   31   29   82                                       
CONECT   31   32   30   30   83                                       
CONECT   32   33   33   31   84                                       
CONECT   33   34   32   32   28                                       
CONECT   34   35   35   33   85                                       
CONECT   35   34   34   26   86                                       
CONECT   36   37   48   51   51                                       
CONECT   37   38   36   87   88                                       
CONECT   38   46   37   39   39                                       
CONECT   39   38   38   40   89                                       
CONECT   40   44   44   39   41                                       
CONECT   41   40   49   90   91                                       
CONECT   42    6    6   49   43                                       
CONECT   43   42   50   92   93                                       
CONECT   44   45   40   40   94                                       
CONECT   45   46   46   44   95                                       
CONECT   46   45   45   38   96                                       
CONECT   47   23    3   97                                            
CONECT   48   36   24   98                                            
CONECT   49   41   42   99                                            
CONECT   50   43   18  100                                            
CONECT   51   36   36                                                 
CONECT   52    1                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   27                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   39                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
CONECT   98   48                                                      
CONECT   99   49                                                      
CONECT  100   50                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
