REMARK  Name = BDB020225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.031   0.502   1.438  0.00  0.00    +0.156 C 
ATOM      2  N   LIG    1        3.587   0.154   0.120  0.00  0.00    -0.277 N 
ATOM      3  C   LIG    1        2.281  -0.039  -0.261  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        2.324  -0.370  -1.599  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1        1.178  -0.636  -2.313  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.041  -0.557  -1.630  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -0.096  -0.218  -0.252  0.00  0.00    -0.033 A 
ATOM      8  O   LIG    1        3.613  -0.399  -2.105  0.00  0.00    -0.407 OA
ATOM      9  C   LIG    1        1.099   0.048   0.443  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        4.387  -0.064  -0.983  0.00  0.00    +0.421 A 
ATOM     11  O   LIG    1        5.608   0.018  -1.018  0.00  0.00    -0.223 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.428  -0.117   0.478  0.00  0.00    +0.106 C 
ATOM     13  C   LIG    1       -2.261  -1.396   0.396  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -1.779  -2.525   0.341  0.00  0.00    -0.275 OA
ATOM     15  N   LIG    1       -3.627  -1.237   0.459  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -4.170  -2.090   0.435  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -4.339  -0.079   0.643  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.558  -0.099   0.781  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -3.537   1.195   0.738  0.00  0.00    +0.097 C 
ATOM     20  C   LIG    1       -2.234   1.080  -0.037  0.00  0.00    +0.026 C 
ENDBRANCH   7  12
TORSDOF 1