REMARK  Name = BDB028769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.135   1.293   1.628  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.186  -0.120   1.107  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -3.393  -0.230   2.041  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -3.327  -0.127   3.265  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -4.594  -0.558   1.455  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -5.371  -0.666   2.093  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -4.795  -1.050   0.191  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -5.864  -1.559  -0.131  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.606  -1.013  -0.736  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1       -2.639   0.090  -0.339  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  14
ATOM     11  C   LIG    1        2.804   0.193  -0.465  0.00  0.00    -0.048 A 
ATOM     12  C   LIG    1        2.074   1.321  -0.859  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        0.878   1.651  -0.216  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        0.393   0.855   0.823  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        1.129  -0.259   1.234  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        2.326  -0.590   0.593  0.00  0.00    +0.005 A 
BRANCH  11  18
ATOM     17  C   LIG    1        5.291   0.520  -0.466  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        4.106  -0.151  -1.143  0.00  0.00    +0.032 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
TORSDOF 3