REMARK  Name = BDB000837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.105  -0.102  -0.015  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.087  -0.501  -0.935  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -1.409   0.032   0.382  0.00  0.00    +0.322 C 
ATOM      4  O   LIG    1       -1.805   0.489   1.447  0.00  0.00    -0.263 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.457  -0.453  -0.638  0.00  0.00    +0.392 C 
ATOM      6  O   LIG    1       -2.161  -0.921  -1.720  0.00  0.00    -0.240 OA
BRANCH   5   7
ATOM      7  O   LIG    1       -3.702  -0.281  -0.157  0.00  0.00    -0.474 OA
ATOM      8  H   LIG    1       -3.641   0.119   0.744  0.00  0.00    +0.296 HD
ENDBRANCH   5   7
ENDBRANCH   3   5
BRANCH   1   9
ATOM      9  C   LIG    1        1.000   0.307   0.829  0.00  0.00    +0.225 C 
BRANCH   9  11
ATOM     10  O   LIG    1        2.476  -0.441  -0.973  0.00  0.00    -0.249 OA
ATOM     11  C   LIG    1        2.324   0.044   0.138  0.00  0.00    +0.322 C 
BRANCH  11  12
ATOM     12  O   LIG    1        3.384   0.408   0.884  0.00  0.00    -0.480 OA
ATOM     13  H   LIG    1        4.162   0.188   0.328  0.00  0.00    +0.295 HD
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   9
TORSDOF 5