REMARK  Name = BDB059819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.885  -1.101  -3.506  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        2.476  -0.109  -2.532  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1        2.625   1.305  -2.809  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        3.344  -0.474  -1.033  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1        3.976   0.524  -0.283  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        4.659   0.157   0.885  0.00  0.00    +0.085 A 
ATOM      7 CL   LIG    1        5.458   1.333   1.870  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1        4.714  -1.179   1.294  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        4.088  -2.158   0.529  0.00  0.00    +0.021 A 
ATOM     10 BR   LIG    1        4.163  -3.966   1.075  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        3.407  -1.818  -0.636  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     12  O   LIG    1        3.970   1.851  -0.625  0.00  0.00    -0.503 OA
ATOM     13  H   LIG    1        3.364   2.015  -1.381  0.00  0.00    +0.292 HD
ENDBRANCH   5  12
ENDBRANCH   2   4
BRANCH   2  14
ATOM     14  N   LIG    1        0.884  -0.444  -2.171  0.00  0.00    -0.198 N 
ATOM     15  H   LIG    1        0.460  -1.186  -2.717  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  C   LIG    1        0.182   0.180  -1.164  0.00  0.00    +0.156 A 
ATOM     17  N   LIG    1        0.735   1.102  -0.326  0.00  0.00    -0.220 NA
ATOM     18  C   LIG    1       -0.225   1.463   0.495  0.00  0.00    +0.201 A 
ATOM     19  N   LIG    1       -1.385   0.797   0.223  0.00  0.00    -0.332 N 
ATOM     20  C   LIG    1       -1.135  -0.037  -0.834  0.00  0.00    +0.132 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -2.637   0.961   0.939  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1       -3.049  -0.299   1.718  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -4.553  -0.415   1.514  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -4.756   0.105   0.101  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -3.829   1.311   0.031  0.00  0.00    +0.025 C 
ENDBRANCH  19  21
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 5