REMARK  Name = BDB054504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.037  -0.256   1.023  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -1.779   0.671  -0.005  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -0.605   0.556  -0.761  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        0.321  -0.473  -0.515  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1        0.046  -1.391   0.505  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.121  -1.283   1.268  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.499  -0.994   2.763  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1       -3.205  -0.074   1.722  0.00  0.00    -0.491 OA
ENDBRANCH   1   8
BRANCH   2   9
ATOM      9  O   LIG    1       -2.727   1.648  -0.189  0.00  0.00    -0.491 OA
ATOM     10  C   LIG    1       -2.545   2.540  -1.279  0.00  0.00    +0.277 C 
ENDBRANCH   2   9
BRANCH   4  11
ATOM     11  C   LIG    1        1.590  -0.589  -1.325  0.00  0.00    +0.175 C 
BRANCH  11  12
ATOM     12  O   LIG    1        1.225  -0.537  -2.718  0.00  0.00    -0.385 OA
ATOM     13  H   LIG    1        1.983  -0.123  -3.174  0.00  0.00    +0.210 HD
ENDBRANCH  11  12
BRANCH  11  14
ATOM     14  C   LIG    1        2.657   0.503  -1.058  0.00  0.00    +0.173 C 
BRANCH  14  15
ATOM     15  O   LIG    1        3.628   0.443  -2.130  0.00  0.00    -0.387 OA
ATOM     16  H   LIG    1        4.110  -0.400  -2.046  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1        3.385   0.358   0.284  0.00  0.00    +0.190 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.532   0.606   1.386  0.00  0.00    -0.392 OA
ATOM     19  H   LIG    1        3.080   0.626   2.189  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  11  14
ENDBRANCH   4  11
TORSDOF 8