REMARK  Name = BDB028826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.887  -0.584  -2.357  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.212  -0.032  -1.212  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -2.667  -1.144  -0.270  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -2.795  -2.322  -0.599  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -3.043  -0.750   0.995  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -3.378  -1.489   1.597  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -3.322   0.525   1.418  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -3.909   0.729   2.476  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.954   1.642   0.472  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1       -1.811   1.226  -0.441  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  13
ATOM     11  C   LIG    1        2.490  -0.325  -0.093  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1        1.442  -0.038  -0.981  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        0.433  -0.976  -1.224  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        0.494  -2.225  -0.603  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        1.529  -2.518   0.285  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        2.518  -1.570   0.545  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1        3.150   1.644   1.311  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        3.556   0.704   0.187  0.00  0.00    +0.032 C 
ENDBRANCH  11  18
ENDBRANCH   1  13
TORSDOF 3