REMARK  Name = BDB059816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.858   1.099   2.043  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1        2.984   1.039   2.951  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.166   2.353   1.815  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        2.418   0.506   0.468  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1        2.943  -0.780   0.338  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        3.363  -1.224  -0.921  0.00  0.00    +0.085 A 
ATOM      7 CL   LIG    1        4.011  -2.812  -1.112  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1        3.260  -0.397  -2.039  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        2.732   0.884  -1.895  0.00  0.00    +0.021 A 
ATOM     10 BR   LIG    1        2.578   2.007  -3.408  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        2.313   1.346  -0.649  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     12  O   LIG    1        3.033  -1.605   1.427  0.00  0.00    -0.503 OA
ATOM     13  H   LIG    1        3.436  -2.447   1.138  0.00  0.00    +0.292 HD
ENDBRANCH   5  12
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  N   LIG    1        0.740  -0.049   2.514  0.00  0.00    -0.198 N 
ATOM     15  H   LIG    1        1.136  -0.794   3.083  0.00  0.00    +0.175 HD
BRANCH  14  18
ATOM     16  N   LIG    1       -2.101  -0.476   0.445  0.00  0.00    -0.332 N 
ATOM     17  C   LIG    1       -1.086   0.343   0.854  0.00  0.00    +0.132 A 
ATOM     18  C   LIG    1       -0.379  -0.386   1.781  0.00  0.00    +0.156 A 
ATOM     19  N   LIG    1       -0.943  -1.622   1.943  0.00  0.00    -0.220 NA
ATOM     20  C   LIG    1       -1.976  -1.651   1.130  0.00  0.00    +0.201 A 
BRANCH  16  22
ATOM     21  C   LIG    1       -4.020   0.989  -0.076  0.00  0.00    +0.030 C 
ATOM     22  C   LIG    1       -3.135  -0.170  -0.535  0.00  0.00    +0.082 C 
ATOM     23  C   LIG    1       -2.536   0.099  -1.916  0.00  0.00    +0.030 C 
ENDBRANCH  16  22
ENDBRANCH  14  18
ENDBRANCH   1  14
TORSDOF 5