REMARK  Name = BDB058881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.504  -0.813   0.907  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.683  -1.694   1.416  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1        2.897  -1.713   1.835  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.951  -0.649   1.218  0.00  0.00    +0.260 C 
ATOM      5  N   LIG    1        1.800   0.009   0.833  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1        1.829   0.702   0.082  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1        4.266  -0.074   0.808  0.00  0.00    +0.056 A 
ATOM      8  C   LIG    1        4.504   1.265   0.460  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1        3.298   2.503   0.490  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        5.792   1.673   0.082  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        6.848   0.762   0.053  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.626  -0.564   0.407  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.346  -0.977   0.783  0.00  0.00    +0.014 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1       -0.145  -1.203  -0.628  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        0.066  -2.619  -0.831  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.342  -0.213  -1.569  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -1.870  -0.912  -0.355  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1       -2.347   0.403  -0.357  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -3.713   0.656  -0.160  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -4.600  -0.431   0.032  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -5.966  -0.173   0.229  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -6.452   1.136   0.237  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.579   2.203   0.047  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.100  -1.744   0.020  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.218   1.966  -0.151  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -2.740  -1.988  -0.177  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4