REMARK  Name = BDB002242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.227   0.041   0.425  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -3.080   0.993  -0.602  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -1.797   1.389  -0.999  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.652   0.849  -0.390  0.00  0.00    -0.023 A 
ATOM      5  C   LIG    1        0.713   1.320  -0.842  0.00  0.00    +0.143 C 
ATOM      6  N   LIG    1        1.815   0.541  -0.291  0.00  0.00    -0.290 N 
ATOM      7  C   LIG    1        1.654   0.165   1.112  0.00  0.00    +0.113 C 
ATOM      8  C   LIG    1        0.410  -0.700   1.301  0.00  0.00    +0.054 C 
ATOM      9  C   LIG    1        3.078   0.782  -0.858  0.00  0.00    +0.282 C 
ATOM     10  O   LIG    1        3.225   1.676  -1.693  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -0.803  -0.086   0.647  0.00  0.00    -0.038 A 
ATOM     12  C   LIG    1       -2.088  -0.494   1.038  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        4.171  -0.090  -0.464  0.00  0.00    +0.189 A 
ATOM     14  O   LIG    1        5.438   0.431  -0.441  0.00  0.00    -0.458 OA
ATOM     15  C   LIG    1        6.283  -0.565  -0.075  0.00  0.00    +0.196 A 
ATOM     16  C   LIG    1        5.591  -1.734   0.127  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1        4.232  -1.434  -0.134  0.00  0.00    +0.054 A 
ENDBRANCH   9  13
BRANCH   1  19
ATOM     18  C   LIG    1       -4.707  -1.258   1.780  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -4.516  -0.298   0.752  0.00  0.00    -0.491 OA
ENDBRANCH   1  19
BRANCH   2  20
ATOM     20  O   LIG    1       -4.244   1.474  -1.150  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1       -4.138   2.415  -2.208  0.00  0.00    +0.277 C 
ENDBRANCH   2  20
TORSDOF 3