REMARK  Name = BDB032863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.878   1.565  -0.498  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.493   1.526  -0.464  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.954   2.418  -0.593  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.463   2.642  -0.372  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.909   0.131  -0.099  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.686   0.348  -0.774  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.237  -0.559  -1.750  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -1.960  -1.720  -2.010  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.137  -1.969  -1.310  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.610  -1.049  -0.367  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -4.734   2.354   2.355  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.508   1.065   1.605  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -3.390   1.118   0.797  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -2.872   1.997   0.787  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -5.251   0.104   1.772  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        1.328   0.574   0.067  0.00  0.00    +0.167 A 
ATOM     17  S   LIG    1        0.762  -0.761   0.963  0.00  0.00    -0.029 S 
ATOM     18  C   LIG    1        2.373  -1.248   1.246  0.00  0.00    +0.169 A 
ATOM     19  C   LIG    1        3.238  -0.352   0.652  0.00  0.00    +0.082 A 
ATOM     20  N   LIG    1        2.631   0.710   0.000  0.00  0.00    -0.227 NA
BRANCH  19  21
ATOM     21  C   LIG    1        4.795  -0.457   0.679  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        5.479  -1.399  -0.278  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1        5.588   0.082  -0.484  0.00  0.00    +0.010 C 
ENDBRANCH  19  21
BRANCH  18  24
ATOM     24  N   LIG    1        2.680  -2.465   2.015  0.00  0.00    -0.021 NA
ATOM     25  O   LIG    1        3.846  -2.567   2.411  0.00  0.00    -0.143 OA
ENDBRANCH  18  24
ENDBRANCH   2  16
TORSDOF 5