REMARK  Name = BDB000955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.851  -0.081  -0.496  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        3.704  -0.601   0.116  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        3.750  -1.667   1.006  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        2.493  -1.972   1.467  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        1.673  -1.145   0.853  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        4.984  -2.265   1.305  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        6.141  -1.782   0.680  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        2.368  -0.306   0.015  0.00  0.00    -0.341 N 
ATOM      9  H   LIG    1        1.965   0.396  -0.591  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        6.073  -0.709  -0.211  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        0.183  -1.098   1.013  0.00  0.00    +0.057 C 
ATOM     12  C   LIG    1       -0.540  -1.367  -0.305  0.00  0.00    +0.026 C 
ATOM     13  C   LIG    1       -2.057  -1.248  -0.141  0.00  0.00    +0.085 C 
ATOM     14  N   LIG    1       -2.446   0.070   0.394  0.00  0.00    -0.299 NA
ATOM     15  C   LIG    1       -1.802   0.279   1.708  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -0.279   0.234   1.601  0.00  0.00    +0.026 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.922   0.220   0.515  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1       -4.726  -0.088  -0.764  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -4.490   1.114  -1.672  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -4.257   2.290  -0.725  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -4.322   1.700   0.684  0.00  0.00    +0.019 C 
ENDBRANCH  14  17
ENDBRANCH   5  11
BRANCH   1  25
ATOM     22  N   LIG    1        3.886   2.041  -1.152  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        3.602   2.183  -0.191  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        4.015   2.887  -1.697  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1        4.810   1.067  -1.424  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        5.592   1.174  -2.358  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 3