REMARK  Name = BDB002657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.422  -1.865  -1.485  0.00  0.00    +0.314 C 
ATOM      2  O   LIG    1        0.221  -0.806  -2.066  0.00  0.00    -0.250 OA
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -0.459  -2.523  -0.633  0.00  0.00    -0.426 OA
BRANCH   3   9
ATOM      4  C   LIG    1       -6.265   0.502   0.097  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1       -4.954   0.599   0.818  0.00  0.00    -0.033 A 
ATOM      6  C   LIG    1       -3.816  -0.232   0.401  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -2.607  -0.111   1.096  0.00  0.00    +0.143 A 
ATOM      8  C   LIG    1       -1.479  -0.859   0.763  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -1.565  -1.742  -0.307  0.00  0.00    +0.135 A 
ATOM     10  C   LIG    1       -2.754  -1.909  -1.012  0.00  0.00    +0.047 A 
ATOM     11  O   LIG    1       -2.466   0.779   2.178  0.00  0.00    -0.422 OA
ATOM     12  C   LIG    1       -3.520   1.575   2.590  0.00  0.00    +0.337 A 
ATOM     13  O   LIG    1       -3.425   2.360   3.526  0.00  0.00    -0.245 OA
ATOM     14  C   LIG    1       -3.875  -1.149  -0.660  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -4.784   1.440   1.849  0.00  0.00    +0.096 A 
ENDBRANCH   3   9
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        1.674  -2.693  -1.619  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.865  -1.847  -2.053  0.00  0.00    +0.128 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.217  -0.715  -1.207  0.00  0.00    -0.234 N 
ATOM     19  C   LIG    1        2.978  -0.588   0.135  0.00  0.00    +0.254 C 
ATOM     20  O   LIG    1        2.400  -1.345   0.892  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1        3.572   0.679   0.553  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.190   1.234  -0.551  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        4.860   2.441  -0.486  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        4.886   3.090   0.753  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.253   2.524   1.880  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.586   1.299   1.788  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        3.990   0.320  -1.672  0.00  0.00    +0.254 C 
ATOM     28  O   LIG    1        4.473   0.480  -2.776  0.00  0.00    -0.270 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5