REMARK  Name = BDB059831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.763  -2.482  -0.403  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        2.489  -1.058  -0.347  0.00  0.00    +0.076 S 
ATOM      3  O   LIG    1        2.121  -0.324  -1.536  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        3.910  -0.274   0.365  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1        3.888   1.077   0.711  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        5.036   1.665   1.255  0.00  0.00    +0.085 A 
ATOM      7 CL   LIG    1        5.034   3.335   1.695  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1        6.196   0.917   1.453  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        6.206  -0.430   1.102  0.00  0.00    +0.021 A 
ATOM     10 BR   LIG    1        7.774  -1.453   1.364  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        5.073  -1.033   0.557  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     12  O   LIG    1        2.758   1.822   0.528  0.00  0.00    -0.503 OA
ATOM     13  H   LIG    1        2.949   2.746   0.779  0.00  0.00    +0.292 HD
ENDBRANCH   5  12
ENDBRANCH   2   4
BRANCH   2  14
ATOM     14  N   LIG    1        1.325  -0.906   0.890  0.00  0.00    -0.208 N 
ATOM     15  H   LIG    1        1.358  -1.781   1.417  0.00  0.00    +0.174 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -0.021  -0.684   0.346  0.00  0.00    +0.105 A 
ATOM     17  S   LIG    1       -0.730   0.848   0.154  0.00  0.00    -0.056 S 
ATOM     18  C   LIG    1       -2.162   0.091  -0.445  0.00  0.00    +0.083 A 
ATOM     19  N   LIG    1       -2.132  -1.228  -0.467  0.00  0.00    -0.250 NA
ATOM     20  C   LIG    1       -0.902  -1.674  -0.022  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.331   0.941  -0.873  0.00  0.00    +0.045 C 
ATOM     22  C   LIG    1       -4.392   1.051   0.222  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1       -5.237  -0.209   0.074  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1       -5.158  -0.594  -1.401  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1       -4.113   0.326  -2.036  0.00  0.00    +0.010 C 
ENDBRANCH  18  21
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 5