REMARK  Name = BDB002266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.764  -0.475  -1.462  0.00  0.00    +0.251 A 
ATOM      2  O   LIG    1        0.137   0.250  -0.723  0.00  0.00    -0.417 OA
ATOM      3  C   LIG    1        1.229  -0.578  -0.719  0.00  0.00    +0.248 A 
ATOM      4  N   LIG    1        1.015  -1.697  -1.383  0.00  0.00    -0.107 NA
ATOM      5  N   LIG    1       -0.276  -1.631  -1.866  0.00  0.00    -0.109 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.414  -0.122  -0.004  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        2.454   1.119   0.649  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.603   1.533   1.328  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.728   0.711   1.362  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        4.705  -0.524   0.718  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.556  -0.937   0.040  0.00  0.00    +0.013 A 
ENDBRANCH   3   6
BRANCH   1  12
ATOM     12  C   LIG    1       -2.120   0.101  -1.691  0.00  0.00    +0.238 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.033  -0.025  -0.497  0.00  0.00    +0.027 A 
ATOM     14  S   LIG    1       -2.907   1.035   0.851  0.00  0.00    -0.099 S 
ATOM     15  C   LIG    1       -4.192   0.262   1.668  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -4.714  -0.782   0.941  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -4.047  -0.949  -0.307  0.00  0.00    +0.014 A 
ENDBRANCH  12  13
BRANCH  12  18
ATOM     18  O   LIG    1       -1.994   1.483  -2.045  0.00  0.00    -0.377 OA
ATOM     19  H   LIG    1       -2.851   1.899  -1.855  0.00  0.00    +0.211 HD
ENDBRANCH  12  18
ENDBRANCH   1  12
TORSDOF 4