REMARK  Name = BDB059823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.364  -2.569  -2.384  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1       -2.664  -1.982  -1.256  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1       -2.038  -2.815  -0.252  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -3.800  -0.840  -0.517  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1       -4.556  -1.204   0.597  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1       -5.409  -0.263   1.188  0.00  0.00    +0.085 A 
ATOM      7 CL   LIG    1       -6.349  -0.686   2.574  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1       -5.524   1.025   0.666  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -4.785   1.370  -0.462  0.00  0.00    +0.021 A 
ATOM     10 BR   LIG    1       -4.940   3.109  -1.187  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1       -3.930   0.448  -1.061  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -4.500  -2.476   1.092  0.00  0.00    -0.503 OA
ATOM     13  H   LIG    1       -5.035  -2.517   1.907  0.00  0.00    +0.292 HD
ENDBRANCH   5  12
ENDBRANCH   2   4
BRANCH   2  14
ATOM     14  N   LIG    1       -1.467  -1.033  -1.946  0.00  0.00    -0.198 N 
ATOM     15  H   LIG    1       -1.302  -1.225  -2.928  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -0.599  -0.249  -1.217  0.00  0.00    +0.156 A 
ATOM     17  N   LIG    1       -0.823   0.120   0.079  0.00  0.00    -0.220 NA
ATOM     18  C   LIG    1        0.200   0.871   0.418  0.00  0.00    +0.201 A 
ATOM     19  N   LIG    1        1.081   1.002  -0.616  0.00  0.00    -0.335 N 
ATOM     20  C   LIG    1        0.558   0.328  -1.685  0.00  0.00    +0.132 A 
BRANCH  19  21
ATOM     21  C   LIG    1        2.289   1.797  -0.607  0.00  0.00    +0.126 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.576   1.072  -0.203  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1        3.578   0.456   1.194  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        4.810  -0.446   1.192  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        5.064  -0.813  -0.272  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        3.972  -0.114  -1.079  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 6