REMARK  Name = BDB037160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.234   0.843  -1.587  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.916   1.803  -1.515  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.631  -0.179  -0.830  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.205  -1.218  -0.540  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.779   0.097  -0.389  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.198  -0.606   0.694  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.453  -0.389   1.135  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.327   0.527   0.560  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.874   1.234  -0.560  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.586   1.020  -1.045  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        2.909  -1.103   2.225  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        1.977  -2.073   2.697  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.725   0.726   1.076  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.685  -0.041   0.295  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.300   0.528  -0.764  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.099  -0.440  -1.221  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.007  -1.618  -0.458  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.087  -1.328   0.522  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.811   0.781  -2.138  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.867  -0.307  -3.089  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.118   2.136  -2.556  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.720  -0.578  -0.662  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.774   0.450  -0.694  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -3.592   1.252   0.443  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -4.309   0.988   1.616  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -5.252  -0.036   1.641  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -5.469  -0.806   0.499  0.00  0.00    +0.048 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -4.457  -2.626  -1.683  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -5.029  -1.318  -1.769  0.00  0.00    -0.493 OA
ENDBRANCH  22  29
BRANCH  24  30
ATOM     30  O   LIG    1       -2.666   2.265   0.446  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -3.306   3.543   0.529  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8