COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -2.651  -1.304   0.140  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.406  -2.681   0.128  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.136  -3.192   0.110  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.611  -0.364   0.118  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.322  -0.874   0.092  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.083  -2.263   0.100  1.00  0.00           C  
HETATM    7  C   UNL     1       1.309  -2.419   0.104  1.00  0.00           C  
HETATM    8  C   UNL     1       1.887  -1.178  -0.008  1.00  0.00           C  
HETATM    9  N   UNL     1       0.908  -0.226   0.052  1.00  0.00           N  
HETATM   10  C   UNL     1       0.916   1.230   0.094  1.00  0.00           C  
HETATM   11  C   UNL     1       1.984  -3.755   0.280  1.00  0.00           C  
HETATM   12  C   UNL     1       1.552  -4.697  -0.846  1.00  0.00           C  
HETATM   13  C   UNL     1       2.237  -6.053  -0.668  1.00  0.00           C  
HETATM   14  C   UNL     1       1.836  -6.654   0.681  1.00  0.00           C  
HETATM   15  C   UNL     1       2.267  -5.712   1.807  1.00  0.00           C  
HETATM   16  C   UNL     1       1.582  -4.356   1.629  1.00  0.00           C  
HETATM   17  C   UNL     1       4.078   0.068   0.278  1.00  0.00           C  
HETATM   18  C   UNL     1       3.343  -1.019  -0.200  1.00  0.00           C  
HETATM   19  C   UNL     1       4.006  -1.978  -0.983  1.00  0.00           C  
HETATM   20  C   UNL     1       5.368  -1.945  -1.166  1.00  0.00           C  
HETATM   21  C   UNL     1       6.107  -0.911  -0.608  1.00  0.00           C  
HETATM   22  C   UNL     1       5.459   0.085   0.095  1.00  0.00           C  
HETATM   23  O   UNL     1       7.457  -0.878  -0.747  1.00  0.00           O  
HETATM   24  C   UNL     1       8.059  -1.943  -1.484  1.00  0.00           C  
HETATM   25  C   UNL     1       2.242   1.906   0.383  1.00  0.00           C  
HETATM   26  C   UNL     1       3.471   1.216   0.924  1.00  0.00           C  
HETATM   27  C   UNL     1       2.578   1.767   1.908  1.00  0.00           C  
HETATM   28  C   UNL     1       2.433   3.260  -0.250  1.00  0.00           C  
HETATM   29  N   UNL     1       1.657   4.296   0.127  1.00  0.00           N  
HETATM   30  O   UNL     1       3.286   3.419  -1.097  1.00  0.00           O  
HETATM   31  C   UNL     1       1.613   5.669  -0.435  1.00  0.00           C  
HETATM   32  C   UNL     1       0.283   5.800  -1.196  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.828   5.665  -0.244  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.738   4.411   0.517  1.00  0.00           C  
HETATM   35  C   UNL     1       0.632   4.338   1.200  1.00  0.00           C  
HETATM   36  C   UNL     1       1.532   6.582   0.812  1.00  0.00           C  
HETATM   37  C   UNL     1       0.879   5.696   1.901  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.123   5.774  -0.927  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.046  -0.826   0.184  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.280   0.367   0.194  1.00  0.00           O  
HETATM   41  N   UNL     1      -5.062  -1.713   0.211  1.00  0.00           N  
HETATM   42  S   UNL     1      -6.628  -1.176   0.259  1.00  0.00           S  
HETATM   43  N   UNL     1      -6.918  -0.380  -1.163  1.00  0.00           N  
HETATM   44  O   UNL     1      -7.449  -2.336   0.245  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.684  -0.196   1.286  1.00  0.00           O  
HETATM   46  C   UNL     1      -7.434  -1.115  -2.321  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.658   1.058  -1.265  1.00  0.00           C  
HETATM   48  H   UNL     1      -3.242  -3.363   0.129  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.956  -4.256   0.097  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.804   0.697   0.121  1.00  0.00           H  
HETATM   51  H   UNL     1       0.545   1.602  -0.863  1.00  0.00           H  
HETATM   52  H   UNL     1       0.206   1.545   0.864  1.00  0.00           H  
HETATM   53  H   UNL     1       3.065  -3.623   0.249  1.00  0.00           H  
HETATM   54  H   UNL     1       0.471  -4.829  -0.815  1.00  0.00           H  
HETATM   55  H   UNL     1       1.838  -4.269  -1.807  1.00  0.00           H  
HETATM   56  H   UNL     1       1.930  -6.724  -1.470  1.00  0.00           H  
HETATM   57  H   UNL     1       3.319  -5.921  -0.699  1.00  0.00           H  
HETATM   58  H   UNL     1       0.754  -6.786   0.712  1.00  0.00           H  
HETATM   59  H   UNL     1       2.324  -7.620   0.808  1.00  0.00           H  
HETATM   60  H   UNL     1       1.981  -6.140   2.768  1.00  0.00           H  
HETATM   61  H   UNL     1       3.349  -5.580   1.776  1.00  0.00           H  
HETATM   62  H   UNL     1       1.889  -3.685   2.431  1.00  0.00           H  
HETATM   63  H   UNL     1       0.501  -4.489   1.660  1.00  0.00           H  
HETATM   64  H   UNL     1       3.447  -2.738  -1.509  1.00  0.00           H  
HETATM   65  H   UNL     1       5.857  -2.718  -1.742  1.00  0.00           H  
HETATM   66  H   UNL     1       6.037   0.893   0.519  1.00  0.00           H  
HETATM   67  H   UNL     1       9.139  -1.796  -1.520  1.00  0.00           H  
HETATM   68  H   UNL     1       7.839  -2.893  -0.997  1.00  0.00           H  
HETATM   69  H   UNL     1       7.660  -1.954  -2.499  1.00  0.00           H  
HETATM   70  H   UNL     1       4.293   1.927   0.972  1.00  0.00           H  
HETATM   71  H   UNL     1       2.907   2.664   2.436  1.00  0.00           H  
HETATM   72  H   UNL     1       1.988   1.066   2.498  1.00  0.00           H  
HETATM   73  H   UNL     1       2.474   5.887  -1.066  1.00  0.00           H  
HETATM   74  H   UNL     1       0.234   6.777  -1.678  1.00  0.00           H  
HETATM   75  H   UNL     1       0.216   5.016  -1.950  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.525   4.385   1.272  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.852   3.564  -0.160  1.00  0.00           H  
HETATM   78  H   UNL     1       0.707   3.490   1.880  1.00  0.00           H  
HETATM   79  H   UNL     1       2.530   6.893   1.120  1.00  0.00           H  
HETATM   80  H   UNL     1       0.908   7.452   0.606  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.065   6.131   2.228  1.00  0.00           H  
HETATM   82  H   UNL     1       1.554   5.569   2.747  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.207   4.987  -1.676  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.928   5.670  -0.199  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.197   6.747  -1.413  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.875  -2.664   0.202  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.524  -1.101  -2.303  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.080  -0.643  -3.238  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.083  -2.146  -2.284  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.280   1.426  -0.311  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.917   1.239  -2.043  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.582   1.577  -1.515  1.00  0.00           H  
CONECT    1    2    2    4   39                                       
CONECT    2    1    1    3   48                                       
CONECT    3    2    6    6   49                                       
CONECT    4    1    5    5   50                                       
CONECT    5    4    4    6    9                                       
CONECT    6    3    3    5    7                                       
CONECT    7    6    8    8   11                                       
CONECT    8    7    7    9   18                                       
CONECT    9    5    8   10                                            
CONECT   10    9   25   51   52                                       
CONECT   11    7   12   16   53                                       
CONECT   12   11   13   54   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14   13   15   58   59                                       
CONECT   15   14   16   60   61                                       
CONECT   16   11   15   62   63                                       
CONECT   17   18   18   22   26                                       
CONECT   18    8   17   17   19                                       
CONECT   19   18   20   20   64                                       
CONECT   20   19   19   21   65                                       
CONECT   21   20   22   22   23                                       
CONECT   22   17   21   21   66                                       
CONECT   23   21   24                                                 
CONECT   24   23   67   68   69                                       
CONECT   25   10   26   27   28                                       
CONECT   26   17   25   27   70                                       
CONECT   27   25   26   71   72                                       
CONECT   28   25   29   30   30                                       
CONECT   29   28   31   35                                            
CONECT   30   28   28                                                 
CONECT   31   29   32   36   73                                       
CONECT   32   31   33   74   75                                       
CONECT   33   32   34   38                                            
CONECT   34   33   35   76   77                                       
CONECT   35   29   34   37   78                                       
CONECT   36   31   37   79   80                                       
CONECT   37   35   36   81   82                                       
CONECT   38   33   83   84   85                                       
CONECT   39    1   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   86                                            
CONECT   42   41   43   44   44                                       
CONECT   42   45   45                                                 
CONECT   43   42   46   47                                            
CONECT   44   42   42                                                 
CONECT   45   42   42                                                 
CONECT   46   43   87   88   89                                       
CONECT   47   43   90   91   92                                       
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   41                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
CONECT   91   47                                                      
CONECT   92   47                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
