REMARK  Name = BDB046870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.358  -1.833   0.970  0.00  0.00    +0.020 C 
ATOM      2  C   LIG    1       -1.300  -0.790   0.135  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1       -0.350   0.357   0.132  0.00  0.00    +0.077 C 
ATOM      4  C   LIG    1       -1.238   1.414  -0.520  0.00  0.00    +0.292 C 
ATOM      5  O   LIG    1       -2.128   0.707  -1.386  0.00  0.00    -0.446 OA
ATOM      6  C   LIG    1       -2.302  -0.565  -0.932  0.00  0.00    +0.336 C 
ATOM      7  O   LIG    1       -3.094  -1.378  -1.367  0.00  0.00    -0.245 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.979   2.227   0.546  0.00  0.00    +0.347 C 
ATOM      9  O   LIG    1       -3.142   2.053   0.875  0.00  0.00    -0.247 OA
BRANCH   8  10
ATOM     10  O   LIG    1       -1.207   3.176   1.133  0.00  0.00    -0.478 OA
ATOM     11  H   LIG    1       -0.306   3.277   0.772  0.00  0.00    +0.295 HD
ENDBRANCH   8  10
ENDBRANCH   4   8
BRANCH   3  12
ATOM     12  C   LIG    1        0.911   0.101  -0.716  0.00  0.00    +0.012 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.861  -0.923  -0.090  0.00  0.00    -0.003 C 
ATOM     14  C   LIG    1        3.143  -1.056  -0.897  0.00  0.00    +0.004 C 
ENDBRANCH  12  13
ENDBRANCH   3  12
TORSDOF 4