REMARK  Name = BDB055172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.055  -0.238  -0.703  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.512   0.292   0.463  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.859   0.570   0.542  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.705   0.320  -0.543  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1        1.161  -0.228  -1.708  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.206  -0.504  -1.782  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.360  -0.562  -0.932  0.00  0.00    -0.475 OA
BRANCH   7   9
ATOM      8  C   LIG    1       -4.687  -0.717  -0.734  0.00  0.00    +0.067 C 
ATOM      9  C   LIG    1       -3.421  -0.140  -0.069  0.00  0.00    +0.200 C 
ATOM     10  C   LIG    1       -3.552   1.392  -0.067  0.00  0.00    +0.067 C 
BRANCH   9  11
ATOM     11  C   LIG    1       -3.401  -0.746   1.348  0.00  0.00    +0.348 C 
ATOM     12  O   LIG    1       -2.776  -1.725   1.726  0.00  0.00    -0.247 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -4.214  -0.112   2.222  0.00  0.00    -0.478 OA
ATOM     14  H   LIG    1       -4.111  -0.629   3.049  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  C   LIG    1        3.184   0.603  -0.442  0.00  0.00    +0.037 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.939  -0.571   0.189  0.00  0.00    +0.032 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.441  -0.326   0.231  0.00  0.00    +0.156 C 
BRANCH  17  18
ATOM     18  O   LIG    1        5.726   0.805   1.041  0.00  0.00    -0.395 OA
ATOM     19  H   LIG    1        6.694   0.898   1.070  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 8