REMARK  Name = BDB050022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.081  -0.823  -0.153  0.00  0.00    +0.072 A 
ATOM      2  N   LIG    1       -1.124   0.032   0.011  0.00  0.00    -0.246 NA
ATOM      3  C   LIG    1       -2.392  -0.440   0.150  0.00  0.00    +0.084 A 
ATOM      4  C   LIG    1       -2.636  -1.832   0.116  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -3.937  -2.348   0.247  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -5.021  -1.497   0.414  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.807  -0.126   0.455  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -1.554  -2.701  -0.055  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -3.507   0.402   0.328  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1       -0.266  -2.196  -0.189  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.779   1.051  -0.586  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        3.648  -0.117   0.162  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        2.394  -0.729   0.304  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.242  -0.190  -0.296  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        1.395   0.992  -1.040  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        2.646   1.601  -1.185  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.117   1.233  -0.199  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        4.936   1.744  -0.804  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   9  19
ATOM     19  C   LIG    1       -3.397   1.891   0.398  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -4.392   2.607   0.445  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1       -2.152   2.448   0.420  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -2.059   3.452   0.436  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -1.323   1.864   0.333  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 3