REMARK  Name = BDB002524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.625  -0.395  -0.451  0.00  0.00    +0.329 A 
ATOM      2  N   LIG    1       -0.302   0.887  -0.570  0.00  0.00    -0.169 NA
ATOM      3  C   LIG    1       -1.312   1.718  -0.366  0.00  0.00    +0.196 A 
ATOM      4  N   LIG    1       -2.561   1.356  -0.084  0.00  0.00    -0.189 NA
ATOM      5  C   LIG    1       -2.772   0.051   0.004  0.00  0.00    +0.222 A 
ATOM      6  N   LIG    1       -1.837  -0.866  -0.179  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   3   7
ATOM      7  S   LIG    1       -0.937   3.451  -0.515  0.00  0.00    -0.089 S 
ATOM      8  C   LIG    1       -2.354   4.162   0.355  0.00  0.00    +0.093 C 
ENDBRANCH   3   7
BRANCH   5   9
ATOM      9  N   LIG    1       -4.074  -0.316   0.316  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -4.658   0.487   0.108  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -4.543  -1.599  -0.197  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -6.045  -1.497  -0.473  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -4.284  -2.698   0.833  0.00  0.00    +0.027 C 
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  14
ATOM     14  O   LIG    1        0.338  -1.376  -0.665  0.00  0.00    -0.424 OA
BRANCH  14  18
ATOM     15  C   LIG    1        4.341  -0.226  -0.769  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        3.639  -0.197   0.445  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        2.294  -0.572   0.488  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        1.645  -0.960  -0.687  0.00  0.00    +0.132 A 
ATOM     19  C   LIG    1        2.339  -1.016  -1.894  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        3.684  -0.642  -1.937  0.00  0.00    +0.018 A 
BRANCH  15  21
ATOM     21  C   LIG    1        5.775   0.162  -0.872  0.00  0.00    +0.339 C 
ATOM     22  O   LIG    1        6.411   0.123  -1.914  0.00  0.00    -0.245 OA
BRANCH  21  24
ATOM     23  C   LIG    1        7.627   0.948   0.313  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1        6.254   0.555   0.335  0.00  0.00    -0.464 OA
ENDBRANCH  21  24
ENDBRANCH  15  21
ENDBRANCH  14  18
ENDBRANCH   1  14
TORSDOF 7