REMARK  Name = BDB059824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.752  -2.710   0.755  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1       -2.410  -1.712   1.570  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1       -3.179  -2.092   2.740  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -3.479  -0.691   0.592  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1       -4.168  -1.216  -0.500  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1       -4.965  -0.370  -1.282  0.00  0.00    +0.085 A 
ATOM      7 CL   LIG    1       -5.824  -0.994  -2.645  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1       -5.091   0.984  -0.972  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -4.420   1.492   0.136  0.00  0.00    +0.021 A 
ATOM     10 BR   LIG    1       -4.591   3.322   0.576  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1       -3.621   0.665   0.924  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -4.105  -2.550  -0.791  0.00  0.00    -0.503 OA
ATOM     13  H   LIG    1       -4.583  -2.709  -1.625  0.00  0.00    +0.292 HD
ENDBRANCH   5  12
ENDBRANCH   2   4
BRANCH   2  14
ATOM     14  N   LIG    1       -1.226  -0.680   2.157  0.00  0.00    -0.198 N 
ATOM     15  H   LIG    1       -1.112  -0.711   3.164  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -0.309  -0.037   1.353  0.00  0.00    +0.156 A 
ATOM     17  N   LIG    1       -0.473   0.130   0.008  0.00  0.00    -0.220 NA
ATOM     18  C   LIG    1        0.583   0.796  -0.401  0.00  0.00    +0.201 A 
ATOM     19  N   LIG    1        1.424   1.072   0.638  0.00  0.00    -0.332 N 
ATOM     20  C   LIG    1        0.848   0.576   1.775  0.00  0.00    +0.132 A 
BRANCH  19  21
ATOM     21  C   LIG    1        2.678   1.794   0.552  0.00  0.00    +0.154 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.805   1.035  -0.152  0.00  0.00    +0.138 C 
ATOM     23  O   LIG    1        3.527   0.874  -1.556  0.00  0.00    -0.375 OA
ATOM     24  C   LIG    1        3.955  -0.440  -1.952  0.00  0.00    +0.160 C 
ATOM     25  C   LIG    1        4.779  -0.994  -0.809  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1        4.124  -0.350   0.389  0.00  0.00    +0.035 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 6