REMARK  Name = BDB000971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.367  -0.367  -0.635  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.393   0.014   0.445  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.086   0.120   1.404  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.672   0.273   0.018  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.630   0.037  -1.345  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.791   0.222  -2.108  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.958   0.652  -1.462  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.973   0.884  -0.081  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        2.822   0.688   0.701  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.375  -0.358  -1.732  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -2.463   1.439  -1.649  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -2.747   0.469  -0.599  0.00  0.00    -0.293 NA
ATOM     13  C   LIG    1       -1.850  -0.707  -0.548  0.00  0.00    +0.077 C 
ATOM     14  C   LIG    1       -2.214  -1.711  -1.657  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -2.239  -1.304   0.820  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1       -2.699  -0.123   1.675  0.00  0.00    +0.018 C 
ATOM     17  C   LIG    1       -2.766   1.069   0.731  0.00  0.00    +0.085 C 
ENDBRANCH   1  13
BRANCH   9  18
ATOM     18  C   LIG    1        2.754   0.907   2.168  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        1.678   0.904   2.758  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        3.924   1.077   2.851  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        4.829   0.859   2.461  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        3.852   1.120   3.860  0.00  0.00    +0.145 HD
ENDBRANCH   9  18
TORSDOF 2