REMARK  Name = BDB004099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.785   1.536   1.663  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.947   0.906   1.017  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -1.912   0.311   1.682  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -1.991   0.674   2.628  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -0.610   0.467   1.266  0.00  0.00    +0.244 C 
ATOM      6  O   LIG    1        0.127   1.259   1.851  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1       -0.164  -0.485   0.141  0.00  0.00    +0.197 C 
ATOM      8  C   LIG    1       -0.833  -0.200  -1.204  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -2.353  -0.327  -1.156  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1       -2.999   0.877  -0.492  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1        1.305  -0.460   0.063  0.00  0.00    -0.217 N 
ATOM     12  C   LIG    1        2.027  -1.211   0.989  0.00  0.00    +0.269 A 
ATOM     13  O   LIG    1        1.520  -1.974   1.808  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1        3.494  -1.071   0.958  0.00  0.00    +0.093 A 
ATOM     15  C   LIG    1        4.061  -0.233   0.096  0.00  0.00    +0.066 A 
ATOM     16 CL   LIG    1        5.749   0.008  -0.018  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        3.175   0.519  -0.801  0.00  0.00    +0.153 A 
ATOM     18  N   LIG    1        1.885   0.423  -0.831  0.00  0.00    -0.174 NA
ENDBRANCH   7  11
TORSDOF 1