REMARK  Name = BDB048268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.463   3.162  -0.054  0.00  0.00    -0.246 OA
ATOM      2  C   LIG    1        1.196   2.185  -0.022  0.00  0.00    +0.334 A 
ATOM      3  N   LIG    1        0.836   0.821  -0.032  0.00  0.00    -0.230 N 
ATOM      4  C   LIG    1        1.992   0.033   0.017  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        3.082   0.911   0.058  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        4.388   0.478   0.111  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        4.585  -0.904   0.123  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        3.499  -1.803   0.083  0.00  0.00    +0.022 A 
ATOM      9 CL   LIG    1        6.190  -1.526   0.189  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        2.180  -1.334   0.029  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1        2.602   2.219   0.034  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        3.144   3.068   0.053  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -0.452   0.355  -0.081  0.00  0.00    +0.218 A 
ATOM     14  N   LIG    1       -1.524   1.217  -0.127  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1       -1.444   2.225  -0.127  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1       -2.678   0.481  -0.170  0.00  0.00    +0.068 A 
ATOM     17  C   LIG    1       -2.238  -0.836  -0.148  0.00  0.00    +0.091 A 
ATOM     18  C   LIG    1       -3.181  -1.873  -0.182  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1       -4.541  -1.542  -0.237  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.953  -0.207  -0.258  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.026   0.842  -0.225  0.00  0.00    +0.028 A 
ATOM     22  N   LIG    1       -0.866  -0.896  -0.093  0.00  0.00    -0.212 NA
ENDBRANCH   3  13
TORSDOF 1