REMARK  Name = BDB046141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.612  -1.207   0.192  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.404  -1.028   0.336  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -2.829   0.326   0.152  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.463   0.616   0.007  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -0.997   1.915  -0.175  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -1.899   2.988  -0.224  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.263   2.728  -0.089  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.367   1.941  -0.292  0.00  0.00    -0.227 NA
ATOM      9  C   LIG    1        0.771   0.693  -0.156  0.00  0.00    +0.143 A 
ATOM     10  N   LIG    1       -0.317  -0.146  -0.020  0.00  0.00    -0.321 N 
ATOM     11  C   LIG    1       -0.293  -1.593   0.055  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -1.249  -2.115   1.115  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -3.715   1.421   0.093  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -2.627  -2.106   0.671  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -3.189  -2.933   0.844  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        2.172   0.275  -0.205  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        2.871  -0.193   0.919  0.00  0.00    +0.052 A 
ATOM     18 CL   LIG    1        2.127  -0.329   2.476  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        4.214  -0.570   0.810  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        4.873  -0.472  -0.416  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.194   0.009  -1.533  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.854   0.386  -1.427  0.00  0.00    +0.013 A 
ENDBRANCH   9  16
TORSDOF 1