REMARK  Name = BDB003259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.766   0.667   0.262  0.00  0.00    +0.119 C 
ATOM      2  C   LIG    1        0.463   1.292  -0.281  0.00  0.00    +0.233 C 
ATOM      3  C   LIG    1        1.446   1.119   0.923  0.00  0.00    +0.278 C 
ATOM      4  C   LIG    1        2.579   0.292   0.389  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        2.369  -0.093  -0.930  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        3.267  -0.875  -1.636  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        4.428  -1.280  -0.976  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.659  -0.899   0.356  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.733  -0.110   1.047  0.00  0.00    +0.011 A 
ATOM     10  O   LIG    1        0.762   0.394   1.964  0.00  0.00    -0.457 OA
ATOM     11  C   LIG    1        1.097   0.452  -1.390  0.00  0.00    +0.207 C 
ATOM     12  O   LIG    1        0.639   0.249  -2.503  0.00  0.00    -0.288 OA
ATOM     13  C   LIG    1       -0.540   0.203   1.493  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1       -1.477  -0.448   2.452  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -1.978   0.652  -0.557  0.00  0.00    +0.342 C 
ATOM     16  O   LIG    1       -2.196   1.503  -1.407  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -2.749  -0.420  -0.273  0.00  0.00    -0.462 OA
BRANCH  17  19
ATOM     18  C   LIG    1       -4.691  -1.760  -0.640  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -3.929  -0.524  -1.078  0.00  0.00    +0.229 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  20
ATOM     20  O   LIG    1        1.947   2.360   1.406  0.00  0.00    -0.349 OA
ATOM     21  H   LIG    1        1.334   3.033   1.049  0.00  0.00    +0.214 HD
ENDBRANCH   3  20
BRANCH   2  22
ATOM     22  O   LIG    1        0.264   2.661  -0.611  0.00  0.00    -0.370 OA
ATOM     23  H   LIG    1       -0.401   2.666  -1.334  0.00  0.00    +0.211 HD
ENDBRANCH   2  22
TORSDOF 5