COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.993   0.304   3.300  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.865   5.935   1.801  1.00  0.00           C  
HETATM    3  C   UNL     1       4.516   4.574   3.415  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.644   2.172  -2.424  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.823   5.160  -1.080  1.00  0.00           C  
HETATM    6  C   UNL     1       6.095   0.560   0.663  1.00  0.00           C  
HETATM    7  O   UNL     1       2.646   3.515   2.448  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.518  -0.464   0.433  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.257  -5.809   1.664  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.962  -5.535  -0.757  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.580  -2.796  -2.777  1.00  0.00           O  
HETATM   12  O   UNL     1       0.651  -4.992   2.423  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.053  -3.615  -0.864  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.701  -0.768  -2.818  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.916  -1.368   2.562  1.00  0.00           O  
HETATM   16  O   UNL     1       0.372  -4.043  -0.711  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.517   1.241  -1.152  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.781   1.574  -0.902  1.00  0.00           C  
HETATM   19  C   UNL     1       7.277   0.750  -4.233  1.00  0.00           C  
HETATM   20  C   UNL     1       5.895   0.746  -4.267  1.00  0.00           C  
HETATM   21  C   UNL     1       7.939   1.225  -3.116  1.00  0.00           C  
HETATM   22  C   UNL     1       5.175   1.220  -3.187  1.00  0.00           C  
HETATM   23  C   UNL     1       7.219   1.699  -2.036  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.092   5.401   1.058  1.00  0.00           C  
HETATM   25  C   UNL     1       2.531  -0.645   1.590  1.00  0.00           C  
HETATM   26  C   UNL     1       1.094  -0.176   1.828  1.00  0.00           C  
HETATM   27  C   UNL     1       5.052   2.214  -0.893  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.873   3.789  -0.683  1.00  0.00           C  
HETATM   29  O   UNL     1       4.584   2.554   1.996  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.605  -0.196  -0.663  1.00  0.00           O  
HETATM   31  O   UNL     1       0.277  -2.495   1.771  1.00  0.00           O  
HETATM   32  O   UNL     1       0.295  -1.299  -0.221  1.00  0.00           O  
HETATM   33  C   UNL     1       3.847   3.509   2.584  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.885   0.141  -0.410  1.00  0.00           C  
HETATM   35  C   UNL     1       3.491   0.402   2.095  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.396  -4.797   1.852  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.023  -4.200  -0.625  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.086  -1.877  -2.167  1.00  0.00           C  
HETATM   39  C   UNL     1       5.837   1.696  -2.071  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.428   2.702  -1.663  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.644   4.417  -0.024  1.00  0.00           C  
HETATM   42  C   UNL     1       4.774   1.065   0.079  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.353  -0.756   1.399  1.00  0.00           C  
HETATM   44  C   UNL     1       3.873   1.562   1.211  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.734  -3.416   1.351  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.047  -1.292   0.108  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.805  -3.431  -0.181  1.00  0.00           C  
HETATM   48  C   UNL     1       0.121  -1.182   1.210  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.901  -1.977  -0.674  1.00  0.00           C  
HETATM   50  H   UNL     1       4.681   1.054   3.662  1.00  0.00           H  
HETATM   51  H   UNL     1       3.716  -0.525   3.935  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.331   5.106   2.263  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.207   6.444   1.097  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.185   6.636   2.572  1.00  0.00           H  
HETATM   55  H   UNL     1       3.762   5.255   3.808  1.00  0.00           H  
HETATM   56  H   UNL     1       5.050   4.106   4.243  1.00  0.00           H  
HETATM   57  H   UNL     1       5.220   5.129   2.796  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.317   1.459  -3.181  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.321   1.676  -1.728  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.162   3.001  -2.906  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.569   4.476  -1.890  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.406   5.991  -1.476  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.908   5.541  -0.627  1.00  0.00           H  
HETATM   64  H   UNL     1       5.902  -0.294   1.312  1.00  0.00           H  
HETATM   65  H   UNL     1       6.759   0.258  -0.147  1.00  0.00           H  
HETATM   66  H   UNL     1       6.565   1.356   1.240  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.858  -1.190   2.683  1.00  0.00           H  
HETATM   68  H   UNL     1       0.498  -4.960  -0.431  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.955   1.780  -1.901  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.343   1.036  -0.153  1.00  0.00           H  
HETATM   71  H   UNL     1       7.839   0.375  -5.075  1.00  0.00           H  
HETATM   72  H   UNL     1       5.378   0.375  -5.140  1.00  0.00           H  
HETATM   73  H   UNL     1       9.018   1.228  -3.089  1.00  0.00           H  
HETATM   74  H   UNL     1       4.095   1.218  -3.214  1.00  0.00           H  
HETATM   75  H   UNL     1       7.736   2.071  -1.163  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.750   4.892   1.762  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.627   6.231   0.596  1.00  0.00           H  
HETATM   78  H   UNL     1       2.701  -1.580   2.124  1.00  0.00           H  
HETATM   79  H   UNL     1       2.691  -0.801   0.524  1.00  0.00           H  
HETATM   80  H   UNL     1       0.909  -0.102   2.899  1.00  0.00           H  
HETATM   81  H   UNL     1       0.950   0.800   1.366  1.00  0.00           H  
HETATM   82  H   UNL     1       5.627   2.988  -0.385  1.00  0.00           H  
HETATM   83  H   UNL     1       4.108   2.632  -1.241  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.430   4.557  -1.221  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.511   3.349   0.083  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.712   3.121  -2.370  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.034   3.634   0.426  1.00  0.00           H  
HETATM   88  H   UNL     1       4.277   0.253  -0.451  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.442   0.329   1.459  1.00  0.00           H  
HETATM   90  H   UNL     1       2.973   2.009   0.789  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.698  -3.108   1.757  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.823  -2.014   0.362  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.996  -6.676   2.003  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.769  -5.984  -1.045  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.840  -0.751  -3.775  1.00  0.00           H  
CONECT    1   35   35   50   51                                       
CONECT    2   24   52   53   54                                       
CONECT    3   33   55   56   57                                       
CONECT    4   40   58   59   60                                       
CONECT    5   41   61   62   63                                       
CONECT    6   42   64   65   66                                       
CONECT    7   33   33                                                 
CONECT    8   34   34                                                 
CONECT    9   36   93                                                 
CONECT   10   37   94                                                 
CONECT   11   38   38                                                 
CONECT   12   36   36                                                 
CONECT   13   37   37                                                 
CONECT   14   38   95                                                 
CONECT   15   43   67                                                 
CONECT   16   47   68                                                 
CONECT   17   18   18   34   69                                       
CONECT   18   17   17   40   70                                       
CONECT   19   20   20   21   71                                       
CONECT   20   19   19   22   72                                       
CONECT   21   19   23   23   73                                       
CONECT   22   20   39   39   74                                       
CONECT   23   21   21   39   75                                       
CONECT   24    2   41   76   77                                       
CONECT   25   26   35   78   79                                       
CONECT   26   25   48   80   81                                       
CONECT   27   39   42   82   83                                       
CONECT   28   40   41   84   85                                       
CONECT   29   33   44                                                 
CONECT   30   34   46                                                 
CONECT   31   45   48                                                 
CONECT   32   48   49                                                 
CONECT   33    3    7    7   29                                       
CONECT   34    8    8   17   30                                       
CONECT   35    1    1   25   44                                       
CONECT   36    9   12   12   45                                       
CONECT   37   10   13   13   47                                       
CONECT   38   11   11   14   49                                       
CONECT   39   22   22   23   27                                       
CONECT   40    4   18   28   86                                       
CONECT   41    5   24   28   87                                       
CONECT   42    6   27   44   88                                       
CONECT   43   15   46   48   89                                       
CONECT   44   29   35   42   90                                       
CONECT   45   31   36   47   91                                       
CONECT   46   30   43   49   92                                       
CONECT   47   16   37   45   49                                       
CONECT   48   26   31   32   43                                       
CONECT   49   32   38   46   47                                       
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   28                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
CONECT   93    9                                                      
CONECT   94   10                                                      
CONECT   95   14                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
