REMARK  Name = BDB032583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.349  -1.579  -1.506  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.197  -2.422  -2.056  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.839  -1.000  -1.080  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        1.962  -1.720  -1.146  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        2.961  -0.907  -0.644  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        2.434   0.295  -0.270  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        1.083   0.272  -0.529  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        3.360   1.275   0.288  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.921   2.573   0.591  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.798   3.520   1.129  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.127   3.183   1.371  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.580   1.900   1.077  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.703   0.953   0.539  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1       -1.690  -0.722  -2.018  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1       -1.520   0.706  -1.869  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -2.021  -1.288  -3.312  0.00  0.00    -0.150 OA
BRANCH  14  18
ATOM     17  C   LIG    1       -2.850  -0.961   0.493  0.00  0.00    +0.147 A 
ATOM     18  C   LIG    1       -2.949  -1.250  -0.876  0.00  0.00    +0.151 A 
ATOM     19  C   LIG    1       -4.051  -1.953  -1.389  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -5.056  -2.376  -0.527  0.00  0.00    +0.020 A 
ATOM     21 BR   LIG    1       -6.542  -3.324  -1.206  0.00  0.00    -0.050 Br
ATOM     22  C   LIG    1       -4.974  -2.103   0.835  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -3.876  -1.399   1.341  0.00  0.00    +0.049 A 
BRANCH  17  25
ATOM     24  C   LIG    1       -1.647   0.038   2.304  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -1.751  -0.273   0.919  0.00  0.00    -0.493 OA
ENDBRANCH  17  25
ENDBRANCH  14  18
ENDBRANCH   1  14
TORSDOF 5