REMARK  Name = BDB003433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.451  -1.708  -0.914  0.00  0.00    +0.169 A 
ATOM      2  N   LIG    1       -0.903  -0.980  -1.979  0.00  0.00    -0.327 N 
ATOM      3  H   LIG    1       -0.546  -1.016  -2.924  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1       -1.910  -0.191  -1.506  0.00  0.00    +0.150 A 
ATOM      5  C   LIG    1       -2.723   0.764  -2.164  0.00  0.00    +0.282 A 
ATOM      6  N   LIG    1       -3.647   1.364  -1.304  0.00  0.00    -0.262 N 
ATOM      7  C   LIG    1       -3.793   1.083   0.072  0.00  0.00    +0.333 A 
ATOM      8  N   LIG    1       -2.940   0.122   0.622  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -3.028  -0.226   2.029  0.00  0.00    +0.155 C 
ATOM     10  O   LIG    1       -4.642   1.666   0.753  0.00  0.00    -0.246 OA
ATOM     11  C   LIG    1       -4.542   2.363  -1.854  0.00  0.00    +0.157 C 
ATOM     12  O   LIG    1       -2.606   1.013  -3.359  0.00  0.00    -0.265 OA
ATOM     13  C   LIG    1       -2.014  -0.494  -0.184  0.00  0.00    +0.169 A 
ATOM     14  N   LIG    1       -1.113  -1.444   0.192  0.00  0.00    -0.204 NA
ENDROOT
BRANCH   1  15
ATOM     15  S   LIG    1        0.839  -2.827  -1.129  0.00  0.00    -0.083 S 
BRANCH  15  16
ATOM     16  C   LIG    1        1.570  -2.842   0.535  0.00  0.00    +0.112 C 
BRANCH  16  21
ATOM     17  C   LIG    1        4.934   1.816   1.517  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        4.061   0.627   1.243  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1        2.747   0.587   1.721  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        1.944  -0.533   1.493  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        2.444  -1.639   0.793  0.00  0.00    -0.037 A 
ATOM     22  C   LIG    1        3.764  -1.600   0.324  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.567  -0.480   0.553  0.00  0.00    +0.003 A 
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 3