REMARK  Name = BDB059817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.853  -2.546   2.030  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1       -1.565  -2.430   0.772  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1       -2.671  -3.313   0.470  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -2.172  -0.766   0.655  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1       -2.716  -0.290  -0.538  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1       -3.177   1.029  -0.601  0.00  0.00    +0.085 A 
ATOM      7 CL   LIG    1       -3.851   1.646  -2.065  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1       -3.094   1.867   0.511  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -2.547   1.379   1.695  0.00  0.00    +0.021 A 
ATOM     10 BR   LIG    1       -2.421   2.511   3.204  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1       -2.086   0.067   1.779  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -2.787  -1.100  -1.639  0.00  0.00    -0.503 OA
ATOM     13  H   LIG    1       -3.219  -0.599  -2.358  0.00  0.00    +0.292 HD
ENDBRANCH   5  12
ENDBRANCH   2   4
BRANCH   2  14
ATOM     14  N   LIG    1       -0.459  -2.527  -0.475  0.00  0.00    -0.198 N 
ATOM     15  H   LIG    1       -0.853  -2.884  -1.344  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  C   LIG    1        0.652  -1.718  -0.600  0.00  0.00    +0.156 A 
ATOM     17  N   LIG    1        1.218  -1.542  -1.839  0.00  0.00    -0.220 NA
ATOM     18  C   LIG    1        2.246  -0.742  -1.646  0.00  0.00    +0.201 A 
ATOM     19  N   LIG    1        2.342  -0.396  -0.336  0.00  0.00    -0.332 N 
ATOM     20  C   LIG    1        1.349  -1.013   0.355  0.00  0.00    +0.132 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.382   0.462   0.251  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1        3.046   1.639   1.136  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1        3.622   1.874  -0.228  0.00  0.00    +0.027 C 
ENDBRANCH  19  21
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 5