REMARK  Name = BDB020229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.102  -0.612   0.589  0.00  0.00    +0.404 C 
ATOM      2  N   LIG    1       -1.793  -0.293   0.365  0.00  0.00    -0.259 N 
ATOM      3  C   LIG    1       -0.709  -1.129   0.855  0.00  0.00    +0.147 C 
ATOM      4  C   LIG    1        0.517  -0.413   0.384  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        0.160   0.749  -0.311  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1        1.123   1.585  -0.844  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.468   1.241  -0.672  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        2.845   0.073   0.032  0.00  0.00    -0.035 A 
ATOM      9  C   LIG    1        1.846  -0.763   0.561  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.328   0.890  -0.350  0.00  0.00    +0.147 C 
ATOM     11  O   LIG    1       -3.456  -1.611   1.199  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        4.308  -0.311   0.194  0.00  0.00    +0.106 C 
ATOM     13  C   LIG    1        5.176   0.806   0.772  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        4.775   1.643   1.578  0.00  0.00    -0.275 OA
ATOM     15  N   LIG    1        6.500   0.803   0.397  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1        7.073   1.527   0.807  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1        7.157  -0.107  -0.391  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        8.370  -0.037  -0.565  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        6.324  -1.227  -0.962  0.00  0.00    +0.097 C 
ATOM     20  C   LIG    1        4.878  -0.793  -1.144  0.00  0.00    +0.026 C 
ENDBRANCH   8  12
BRANCH   1  21
ATOM     21  O   LIG    1       -3.938   0.313   0.052  0.00  0.00    -0.445 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -5.879  -1.086  -0.538  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -5.377   0.176   0.172  0.00  0.00    +0.107 C 
ATOM     24  C   LIG    1       -5.945   1.406  -0.554  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -5.822   0.226   1.637  0.00  0.00    +0.055 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 3