REMARK  Name = BDB058839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.012  -0.076   0.434  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        1.398  -0.719   1.146  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1       -0.299  -1.158   2.565  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.992  -0.454   1.832  0.00  0.00    +0.262 C 
ATOM      5  N   LIG    1       -0.433   0.293   0.810  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1       -1.016   0.617   0.033  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1       -2.466  -0.390   2.010  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1       -3.298   0.353   1.170  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1       -2.793   1.052   0.141  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.677   0.387   1.371  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -5.242  -0.330   2.424  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.427  -1.078   3.272  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.044  -1.110   3.067  0.00  0.00    +0.016 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1        1.153  -0.830  -1.096  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        1.480  -2.219  -0.858  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.007  -0.435  -1.889  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.583  -0.012  -1.747  0.00  0.00    +0.108 A 
ATOM     18  C   LIG    1        2.450   1.282  -2.258  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1        3.571   1.918  -2.786  0.00  0.00    +0.020 A 
ATOM     20 BR   LIG    1        3.415   3.671  -3.475  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        4.808   1.272  -2.813  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        4.929  -0.025  -2.309  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        3.814  -0.674  -1.777  0.00  0.00    +0.028 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4