REMARK  Name = BDB003228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.467  -0.199   0.461  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.404   0.815   0.631  0.00  0.00    +0.230 C 
ATOM      3  C   LIG    1        0.742  -0.061   1.241  0.00  0.00    +0.278 C 
ATOM      4  C   LIG    1        1.811  -0.090   0.184  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        1.479   0.687  -0.921  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        2.305   0.824  -2.022  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        3.519   0.137  -2.003  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.874  -0.655  -0.897  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.020  -0.772   0.205  0.00  0.00    +0.011 A 
ATOM     10  O   LIG    1        0.230  -1.386   1.474  0.00  0.00    -0.457 OA
ATOM     11  C   LIG    1        0.176   1.301  -0.692  0.00  0.00    +0.207 C 
ATOM     12  O   LIG    1       -0.348   2.121  -1.430  0.00  0.00    -0.288 OA
ATOM     13  C   LIG    1       -1.060  -1.379   0.938  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -1.780  -2.683   0.970  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -3.509   1.289   0.079  0.00  0.00    +0.091 C 
ATOM     16  C   LIG    1       -2.733   0.044  -0.252  0.00  0.00    +0.163 C 
ATOM     17  O   LIG    1       -3.124  -0.754  -1.100  0.00  0.00    -0.292 OA
ENDBRANCH   1  16
BRANCH   3  18
ATOM     18  O   LIG    1        1.275   0.497   2.435  0.00  0.00    -0.349 OA
ATOM     19  H   LIG    1        0.542   1.019   2.815  0.00  0.00    +0.214 HD
ENDBRANCH   3  18
BRANCH   2  20
ATOM     20  O   LIG    1       -0.811   1.859   1.507  0.00  0.00    -0.371 OA
ATOM     21  H   LIG    1       -1.057   2.615   0.936  0.00  0.00    +0.211 HD
ENDBRANCH   2  20
TORSDOF 3