REMARK  Name = BDB059811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.278  -2.687   1.783  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        3.383  -2.246   0.732  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1        3.181  -3.053  -0.455  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        3.938  -0.643   0.224  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1        4.060  -0.297  -1.126  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        4.522   0.987  -1.452  0.00  0.00    +0.085 A 
ATOM      7 CL   LIG    1        4.692   1.492  -3.097  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1        4.859   1.903  -0.452  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        4.740   1.536   0.885  0.00  0.00    +0.021 A 
ATOM     10 BR   LIG    1        5.198   2.770   2.241  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        4.287   0.267   1.233  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     12  O   LIG    1        3.755  -1.143  -2.159  0.00  0.00    -0.503 OA
ATOM     13  H   LIG    1        3.325  -1.962  -1.826  0.00  0.00    +0.292 HD
ENDBRANCH   5  12
ENDBRANCH   2   4
BRANCH   2  14
ATOM     14  N   LIG    1        1.915  -1.954   1.465  0.00  0.00    -0.198 N 
ATOM     15  H   LIG    1        1.864  -2.196   2.449  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  C   LIG    1        0.846  -1.365   0.827  0.00  0.00    +0.156 A 
ATOM     17  N   LIG    1        0.898  -0.915  -0.459  0.00  0.00    -0.220 NA
ATOM     18  C   LIG    1       -0.291  -0.417  -0.712  0.00  0.00    +0.201 A 
ATOM     19  N   LIG    1       -1.112  -0.520   0.373  0.00  0.00    -0.332 N 
ATOM     20  C   LIG    1       -0.392  -1.119   1.371  0.00  0.00    +0.132 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -2.498  -0.080   0.461  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1       -2.615   1.456   0.440  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -3.971   1.954  -0.068  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.093   0.978   0.256  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.866  -0.390  -0.389  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.389  -0.731  -0.603  0.00  0.00    +0.025 C 
ENDBRANCH  19  21
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 5