REMARK  Name = BDB059822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.253  -1.837  -2.721  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        2.516  -0.730  -2.138  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1        1.934   0.299  -2.971  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        3.582  -0.027  -0.908  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1        4.349   1.103  -1.190  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        5.144   1.663  -0.181  0.00  0.00    +0.085 A 
ATOM      7 CL   LIG    1        6.098   3.067  -0.502  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1        5.191   1.096   1.092  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        4.441  -0.047   1.354  0.00  0.00    +0.021 A 
ATOM     10 BR   LIG    1        4.503  -0.833   3.072  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        3.644  -0.617   0.364  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     12  O   LIG    1        4.363   1.643  -2.444  0.00  0.00    -0.503 OA
ATOM     13  H   LIG    1        4.893   2.461  -2.426  0.00  0.00    +0.292 HD
ENDBRANCH   5  12
ENDBRANCH   2   4
BRANCH   2  14
ATOM     14  N   LIG    1        1.270  -1.454  -1.282  0.00  0.00    -0.198 N 
ATOM     15  H   LIG    1        1.121  -2.430  -1.514  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  C   LIG    1        0.358  -0.755  -0.522  0.00  0.00    +0.156 A 
ATOM     17  N   LIG    1        0.553   0.530  -0.102  0.00  0.00    -0.220 NA
ATOM     18  C   LIG    1       -0.512   0.842   0.601  0.00  0.00    +0.201 A 
ATOM     19  N   LIG    1       -1.382  -0.206   0.666  0.00  0.00    -0.335 N 
ATOM     20  C   LIG    1       -0.828  -1.246  -0.025  0.00  0.00    +0.132 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -2.653  -0.214   1.369  0.00  0.00    +0.126 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.766   0.459   0.572  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -4.342  -0.314  -0.646  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.438  -0.861   0.288  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1       -5.179   0.351   1.203  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 6