REMARK  Name = BDB028790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.590   1.479   1.552  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.080   0.720   0.732  0.00  0.00    +0.227 C 
ATOM      3  N   LIG    1       -2.429  -0.607   0.726  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1       -3.042  -0.882   1.484  0.00  0.00    +0.149 HD
ATOM      5  C   LIG    1       -1.689  -1.618   0.001  0.00  0.00    +0.119 C 
ATOM      6  C   LIG    1       -0.860  -1.035  -1.152  0.00  0.00    +0.105 C 
ATOM      7  N   LIG    1       -0.110   0.188  -0.779  0.00  0.00    -0.273 NA
ATOM      8  C   LIG    1       -1.125   1.204  -0.368  0.00  0.00    +0.181 C 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        0.904  -0.030   0.283  0.00  0.00    +0.212 C 
ATOM     10  C   LIG    1        1.779   1.222   0.488  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1        1.439   2.239   1.083  0.00  0.00    -0.273 OA
ATOM     12  N   LIG    1        3.025   1.077  -0.038  0.00  0.00    -0.245 N 
ATOM     13  H   LIG    1        3.707   1.808   0.090  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1        3.454  -0.182  -0.260  0.00  0.00    +0.280 C 
ATOM     15  O   LIG    1        4.613  -0.510  -0.445  0.00  0.00    -0.263 OA
ATOM     16  S   LIG    1        2.135  -1.313  -0.161  0.00  0.00    -0.039 S 
ENDBRANCH   7   9
TORSDOF 1