REMARK  Name = BDB037133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.745  -0.502  -1.258  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -1.492   0.558  -1.779  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -1.166   1.518  -1.763  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -1.233  -1.570  -0.924  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        2.765  -0.816   0.104  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.433   0.229  -0.560  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        2.726   1.031  -1.473  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.374   0.801  -1.730  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.708  -0.232  -1.065  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        1.410  -1.041  -0.156  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        2.897  -2.641   1.640  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        3.521  -1.543   0.984  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        4.889   0.535  -0.291  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.027   1.590   0.704  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.108   2.882   0.315  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.248   3.549   1.464  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.266   2.695   2.582  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.126   1.432   2.059  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -3.123   0.478  -2.125  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -3.253  -0.525  -3.160  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.531   1.846  -2.379  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.897  -0.037  -0.616  0.00  0.00    +0.193 A 
ATOM     23  C   LIG    1       -3.608   0.642   0.586  0.00  0.00    +0.168 A 
ATOM     24  C   LIG    1       -4.306   0.287   1.756  0.00  0.00    +0.085 A 
ATOM     25 CL   LIG    1       -4.156   1.154   3.245  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1       -5.223  -0.767   1.743  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -5.478  -1.454   0.561  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -4.817  -1.094  -0.616  0.00  0.00    +0.150 A 
BRANCH  23  29
ATOM     29  O   LIG    1       -2.724   1.694   0.549  0.00  0.00    -0.492 OA
ATOM     30  C   LIG    1       -1.613   1.560   1.440  0.00  0.00    +0.277 C 
ENDBRANCH  23  29
BRANCH  28  31
ATOM     31  O   LIG    1       -5.202  -1.731  -1.762  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.590  -3.019  -1.863  0.00  0.00    +0.277 C 
ENDBRANCH  28  31
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 8