REMARK  Name = BDB033404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.855   1.244  -0.460  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.997  -0.148  -0.495  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        1.962  -0.831   0.256  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1        1.792  -2.222  -0.035  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        0.760  -2.346  -0.940  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        2.839  -0.084   1.089  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        3.908  -0.718   1.940  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        2.684   1.317   1.125  0.00  0.00    +0.006 A 
ATOM      9  N   LIG    1        0.299  -1.091  -1.221  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -0.450  -0.874  -1.865  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1        1.710   1.967   0.371  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -0.194   1.901  -1.177  0.00  0.00    -0.214 N 
ATOM     13  H   LIG    1        0.099   2.809  -1.547  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -1.625   2.180  -0.294  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1       -1.289   2.720   1.004  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -2.523   2.881  -1.185  0.00  0.00    -0.150 OA
BRANCH  14  19
ATOM     17  C   LIG    1       -3.607   0.283  -2.278  0.00  0.00    +0.071 C 
ATOM     18  C   LIG    1       -3.181  -0.055  -0.899  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1       -2.383   0.684   0.002  0.00  0.00    +0.173 A 
ATOM     20  C   LIG    1       -2.308  -0.092   1.132  0.00  0.00    +0.161 A 
ATOM     21  C   LIG    1       -1.655   0.038   2.448  0.00  0.00    +0.091 C 
ATOM     22  O   LIG    1       -3.011  -1.238   0.918  0.00  0.00    -0.358 OA
ATOM     23  N   LIG    1       -3.548  -1.224  -0.356  0.00  0.00    -0.081 NA
ENDBRANCH  14  19
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   4  24
ATOM     24  C   LIG    1        2.533  -3.324   0.496  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1        3.138  -4.215   0.928  0.00  0.00    -0.191 NA
ENDBRANCH   4  24
TORSDOF 4