REMARK  Name = BDB046111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.395   0.051   0.157  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        0.722  -0.863  -0.168  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.359   0.984   0.476  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        1.181   2.099   0.953  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.758   0.523   0.297  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        3.247  -0.017  -0.899  0.00  0.00    +0.054 A 
ATOM      7 CL   LIG    1        2.285  -0.152  -2.327  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        4.580  -0.435  -0.982  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        5.421  -0.299   0.121  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1        7.059  -0.811   0.013  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        4.949   0.257   1.308  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        3.619   0.673   1.396  0.00  0.00    +0.016 A 
ENDBRANCH   3   5
BRANCH   1  17
ATOM     13  C   LIG    1       -5.318   0.667  -0.090  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -3.833   0.494   0.041  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -3.238  -0.753  -0.169  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -1.842  -0.902  -0.077  0.00  0.00    +0.080 A 
ATOM     17  C   LIG    1       -1.013   0.214   0.163  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1       -1.622   1.456   0.369  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -3.014   1.594   0.309  0.00  0.00    +0.005 A 
BRANCH  16  20
ATOM     20  C   LIG    1       -1.242  -2.252  -0.235  0.00  0.00    +0.339 C 
ATOM     21  O   LIG    1       -0.154  -2.438  -0.756  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -1.968  -3.243   0.324  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1       -2.703  -2.945   0.893  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  16  20
ENDBRANCH   1  17
TORSDOF 4