REMARK  Name = BDB028792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.956   0.585   0.391  0.00  0.00    +0.138 C 
ATOM      2  C   LIG    1        2.204   0.991   1.176  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1        2.275   1.992   1.886  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        3.327   0.219   0.983  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1        4.154   0.525   1.478  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1        3.535  -0.722   0.007  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1        4.656  -1.167  -0.219  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        2.333  -1.104  -0.820  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1        1.044  -0.879  -0.044  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  10
ATOM     10  S   LIG    1       -0.528   0.824   1.434  0.00  0.00    -0.109 S 
BRANCH  10  13
ATOM     11  C   LIG    1       -3.112  -1.357   0.638  0.00  0.00    +0.087 C 
ATOM     12  C   LIG    1       -2.758  -0.074  -0.002  0.00  0.00    +0.115 A 
ATOM     13  C   LIG    1       -1.774   0.865   0.218  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -1.978   1.900  -0.723  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1       -3.066   1.517  -1.474  0.00  0.00    +0.196 A 
ATOM     16  O   LIG    1       -3.542   0.319  -1.048  0.00  0.00    -0.467 OA
ENDBRANCH  10  13
ENDBRANCH   1  10
TORSDOF 2