REMARK  Name = BDB002602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.528   0.874   0.582  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.165   1.867   1.498  0.00  0.00    +0.158 A 
ATOM      3  C   LIG    1        0.928   1.860   2.130  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.021   0.842   1.841  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.353  -0.154   0.912  0.00  0.00    -0.021 A 
ATOM      6  C   LIG    1        1.615  -0.142   0.294  0.00  0.00    +0.057 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.210  -0.007  -0.851  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1        3.782   1.011   0.047  0.00  0.00    -0.491 OA
ENDBRANCH   1   8
BRANCH   2   9
ATOM      9  O   LIG    1        3.036   2.878   1.798  0.00  0.00    -0.503 OA
ATOM     10  H   LIG    1        3.834   2.693   1.266  0.00  0.00    +0.292 HD
ENDBRANCH   2   9
BRANCH   5  11
ATOM     11  C   LIG    1       -0.585  -1.239   0.596  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1       -1.831  -1.106   0.099  0.00  0.00    +0.060 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.405   0.227  -0.229  0.00  0.00    +0.163 C 
ATOM     14  O   LIG    1       -3.437   0.603   0.323  0.00  0.00    -0.292 OA
ATOM     15  C   LIG    1       -1.719   1.066  -1.276  0.00  0.00    +0.092 C 
ENDBRANCH  12  13
BRANCH  12  16
ATOM     16  C   LIG    1       -2.646  -2.352  -0.071  0.00  0.00    +0.163 C 
ATOM     17  O   LIG    1       -2.142  -3.466   0.084  0.00  0.00    -0.292 OA
ATOM     18  C   LIG    1       -4.099  -2.214  -0.447  0.00  0.00    +0.092 C 
ENDBRANCH  12  16
ENDBRANCH   5  11
TORSDOF 5