REMARK  Name = BDB016226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.652   1.340  -0.460  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -1.686   0.636   0.206  0.00  0.00    +0.150 A 
ATOM      3  O   LIG    1       -1.731  -0.703  -0.075  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -3.028  -1.292  -0.074  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1       -3.363  -1.665   1.351  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -4.002  -0.511   2.059  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1       -3.554   0.760   1.891  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1       -4.075   1.401   2.480  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -4.928  -0.702   2.853  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.933  -2.538  -0.951  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -2.525   1.314   1.105  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -2.339   2.698   1.287  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -1.330   3.393   0.622  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -0.484   2.714  -0.244  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -0.194   0.385  -2.634  0.00  0.00    +0.018 C 
ATOM     16  C   LIG    1        0.282   0.680  -1.409  0.00  0.00    -0.014 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.685   0.338  -1.075  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        2.748   0.708  -1.909  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        4.065   0.394  -1.561  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        4.346  -0.289  -0.376  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        3.294  -0.654   0.464  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        1.974  -0.339   0.117  0.00  0.00    +0.012 A 
BRANCH  20  23
ATOM     23  O   LIG    1        5.673  -0.533  -0.157  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1        6.009  -1.235   1.033  0.00  0.00    +0.277 C 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 3