REMARK  Name = BDB055033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.110  -0.648   0.141  0.00  0.00    +0.327 C 
ATOM      2  O   LIG    1       -0.672  -1.367   0.753  0.00  0.00    -0.249 OA
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -0.186   0.282  -0.829  0.00  0.00    -0.367 OA
BRANCH   3   5
ATOM      4  C   LIG    1       -2.013   1.702  -0.663  0.00  0.00    +0.151 C 
ATOM      5  N   LIG    1       -1.628   0.356  -1.078  0.00  0.00    -0.145 NA
ATOM      6  C   LIG    1       -1.772   0.186  -2.520  0.00  0.00    +0.151 C 
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1   7
ATOM      7  C   LIG    1        1.608  -0.704   0.331  0.00  0.00    +0.133 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.950  -1.111   1.761  0.00  0.00    +0.131 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.563  -0.023   2.733  0.00  0.00    +0.305 C 
ATOM     10  O   LIG    1        1.435   1.154   2.433  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1        1.414  -0.469   3.999  0.00  0.00    -0.481 OA
ATOM     12  H   LIG    1        1.503  -1.436   4.096  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
TORSDOF 6