COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.970  -2.767   0.720  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.309  -1.137   0.592  1.00  0.00           C  
HETATM    3  C   UNL     1       0.973   2.773   0.724  1.00  0.00           C  
HETATM    4  C   UNL     1       3.314   1.144   0.599  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.020   0.159  -1.974  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.122   0.414   1.595  1.00  0.00           C  
HETATM    7  C   UNL     1       1.655   2.590  -0.597  1.00  0.00           C  
HETATM    8  C   UNL     1       4.063  -0.173   0.500  1.00  0.00           C  
HETATM    9  C   UNL     1       6.066  -1.461   0.928  1.00  0.00           C  
HETATM   10  C   UNL     1       5.738   1.209  -0.784  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.408  -0.042   1.793  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.654   0.022   3.096  1.00  0.00           C  
HETATM   13  C   UNL     1       0.655  -0.019   3.097  1.00  0.00           C  
HETATM   14  C   UNL     1       1.413   0.047   1.796  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.705  -2.652  -1.794  1.00  0.00           C  
HETATM   16  C   UNL     1       0.346  -3.747  -1.617  1.00  0.00           C  
HETATM   17  C   UNL     1       1.105  -3.444  -0.340  1.00  0.00           C  
HETATM   18  C   UNL     1       0.296  -3.165   0.851  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.763  -2.509   1.988  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.459  -1.152   1.866  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.382  -1.232  -0.628  1.00  0.00           C  
HETATM   22  C   UNL     1       0.723   2.671  -1.793  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.334   3.760  -1.614  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.099   3.445  -0.344  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.295   3.164   0.850  1.00  0.00           C  
HETATM   26  C   UNL     1       1.763   2.513   1.994  1.00  0.00           C  
HETATM   27  C   UNL     1       2.462   1.158   1.871  1.00  0.00           C  
HETATM   28  C   UNL     1       2.390   1.244  -0.623  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.644  -2.576  -0.603  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.156  -1.112  -1.938  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.961   0.095  -0.771  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.076   0.170   0.502  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.082   1.441   0.934  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.927   1.263  -0.599  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.739  -1.222  -0.790  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.685  -3.688  -0.751  1.00  0.00           C  
HETATM   37  C   UNL     1       3.164   1.121  -1.932  1.00  0.00           C  
HETATM   38  C   UNL     1       4.020  -0.155  -1.969  1.00  0.00           C  
HETATM   39  C   UNL     1       4.950  -0.103  -0.772  1.00  0.00           C  
HETATM   40  C   UNL     1       5.108  -0.428   1.592  1.00  0.00           C  
HETATM   41  C   UNL     1       5.907  -1.279  -0.603  1.00  0.00           C  
HETATM   42  C   UNL     1       2.697   3.700  -0.751  1.00  0.00           C  
HETATM   43  O   UNL     1       2.318  -3.435  -0.305  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.312   3.427  -0.316  1.00  0.00           O  
HETATM   45  O   UNL     1      -7.188   0.954  -1.196  1.00  0.00           O  
HETATM   46  O   UNL     1       7.170  -0.979  -1.199  1.00  0.00           O  
HETATM   47  H   UNL     1      -4.004  -1.976   0.599  1.00  0.00           H  
HETATM   48  H   UNL     1       4.020   1.974   0.614  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.387   1.044  -1.904  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.598   0.187  -2.897  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.651  -0.508   1.835  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.658   0.835   2.487  1.00  0.00           H  
HETATM   53  H   UNL     1       3.361  -1.005   0.445  1.00  0.00           H  
HETATM   54  H   UNL     1       7.095  -1.264   1.228  1.00  0.00           H  
HETATM   55  H   UNL     1       5.780  -2.474   1.212  1.00  0.00           H  
HETATM   56  H   UNL     1       5.046   2.049  -0.726  1.00  0.00           H  
HETATM   57  H   UNL     1       6.413   1.235   0.071  1.00  0.00           H  
HETATM   58  H   UNL     1       6.316   1.277  -1.705  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.901   0.913   1.611  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.713  -0.253   0.980  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.193   0.101   4.029  1.00  0.00           H  
HETATM   62  H   UNL     1       1.192  -0.099   4.031  1.00  0.00           H  
HETATM   63  H   UNL     1       1.907  -0.908   1.615  1.00  0.00           H  
HETATM   64  H   UNL     1       0.719   0.257   0.982  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.202  -1.692  -1.911  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.286  -2.859  -2.693  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.141  -4.719  -1.537  1.00  0.00           H  
HETATM   68  H   UNL     1       1.031  -3.743  -2.465  1.00  0.00           H  
HETATM   69  H   UNL     1       0.725  -3.281   1.835  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.509  -3.292   2.118  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.089  -2.500   2.845  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.100  -0.992   2.733  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.651  -0.425  -0.582  1.00  0.00           H  
HETATM   74  H   UNL     1       1.309   2.888  -2.686  1.00  0.00           H  
HETATM   75  H   UNL     1       0.224   1.711  -1.921  1.00  0.00           H  
HETATM   76  H   UNL     1       0.148   4.733  -1.525  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.014   3.760  -2.466  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.730   3.275   1.833  1.00  0.00           H  
HETATM   79  H   UNL     1       2.507   3.298   2.128  1.00  0.00           H  
HETATM   80  H   UNL     1       1.086   2.500   2.848  1.00  0.00           H  
HETATM   81  H   UNL     1       3.101   0.998   2.740  1.00  0.00           H  
HETATM   82  H   UNL     1       1.656   0.439  -0.579  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.801  -1.983  -2.051  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.449  -1.084  -2.767  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.389   1.015   0.439  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.110   1.238   1.232  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.803   2.454   1.224  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.510   2.167  -1.043  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.041  -2.057  -0.733  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.417  -1.257   0.062  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.313  -1.292  -1.714  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.183  -4.655  -0.774  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.374  -3.656   0.094  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.241  -3.545  -1.678  1.00  0.00           H  
HETATM   95  H   UNL     1       2.458   1.100  -2.762  1.00  0.00           H  
HETATM   96  H   UNL     1       3.814   1.989  -2.043  1.00  0.00           H  
HETATM   97  H   UNL     1       3.379  -1.034  -1.903  1.00  0.00           H  
HETATM   98  H   UNL     1       4.602  -0.186  -2.890  1.00  0.00           H  
HETATM   99  H   UNL     1       5.646   0.489   1.834  1.00  0.00           H  
HETATM  100  H   UNL     1       4.640  -0.848   2.483  1.00  0.00           H  
HETATM  101  H   UNL     1       5.482  -2.178  -1.048  1.00  0.00           H  
HETATM  102  H   UNL     1       3.423   3.632   0.060  1.00  0.00           H  
HETATM  103  H   UNL     1       3.209   3.588  -1.707  1.00  0.00           H  
HETATM  104  H   UNL     1       2.202   4.670  -0.715  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.844   1.661  -1.118  1.00  0.00           H  
HETATM  106  H   UNL     1       7.820  -1.691  -1.123  1.00  0.00           H  
CONECT    1   29   19   18   18                                       
CONECT    2   32   21   20   47                                       
CONECT    3    7   25   25   26                                       
CONECT    4   28   27    8   48                                       
CONECT    5   31   30   49   50                                       
CONECT    6   33   32   51   52                                       
CONECT    7   42   22    3   28                                       
CONECT    8    4   39   40   53                                       
CONECT    9   41   40   54   55                                       
CONECT   10   39   56   57   58                                       
CONECT   11   12   20   59   60                                       
CONECT   12   13   13   11   61                                       
CONECT   13   14   12   12   62                                       
CONECT   14   27   13   63   64                                       
CONECT   15   29   16   65   66                                       
CONECT   16   15   17   67   68                                       
CONECT   17   16   43   43   18                                       
CONECT   18    1    1   17   69                                       
CONECT   19   20    1   70   71                                       
CONECT   20    2   11   19   72                                       
CONECT   21   30    2   29   73                                       
CONECT   22   23    7   74   75                                       
CONECT   23   24   22   76   77                                       
CONECT   24   23   44   44   25                                       
CONECT   25   24    3    3   78                                       
CONECT   26    3   27   79   80                                       
CONECT   27   26    4   14   81                                       
CONECT   28    7   37    4   82                                       
CONECT   29   21   15   36    1                                       
CONECT   30    5   21   83   84                                       
CONECT   31   34    5   35   32                                       
CONECT   32   31    6    2   85                                       
CONECT   33   34    6   86   87                                       
CONECT   34   45   31   33   88                                       
CONECT   35   31   89   90   91                                       
CONECT   36   29   92   93   94                                       
CONECT   37   28   38   95   96                                       
CONECT   38   37   39   97   98                                       
CONECT   39   10   38    8   41                                       
CONECT   40    8    9   99  100                                       
CONECT   41   39   46    9  101                                       
CONECT   42    7  102  103  104                                       
CONECT   43   17   17                                                 
CONECT   44   24   24                                                 
CONECT   45   34  105                                                 
CONECT   46   41  106                                                 
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   37                                                      
CONECT   97   38                                                      
CONECT   98   38                                                      
CONECT   99   40                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   42                                                      
CONECT  105   45                                                      
CONECT  106   46                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
