REMARK  Name = BDB037202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.695  -0.311  -1.904  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.013   0.322  -2.317  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.274  -1.171  -0.881  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.014  -1.917  -0.261  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.190  -1.053  -0.595  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.867  -0.119  -1.323  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.187   0.002  -1.068  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.873  -0.768  -0.130  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.136  -1.709   0.604  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.774  -1.860   0.370  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.921   0.937  -1.771  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.151   1.698  -2.696  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.341  -0.577   0.135  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.558   0.345   1.241  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.612  -0.122   2.507  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.830   0.975   3.237  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.924   2.135   2.449  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.750   1.696   1.158  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.228  -0.216  -2.522  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.215   0.929  -3.409  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.571  -1.534  -3.006  0.00  0.00    -0.150 OA
BRANCH  19  26
ATOM     22  C   LIG    1       -4.677   1.049   1.138  0.00  0.00    +0.159 A 
ATOM     23  C   LIG    1       -3.499   1.708   0.771  0.00  0.00    +0.167 A 
ATOM     24  F   LIG    1       -3.052   2.743   1.498  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1       -2.768   1.323  -0.348  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -3.206   0.241  -1.119  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1       -4.375  -0.434  -0.765  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -5.117  -0.019   0.353  0.00  0.00    +0.096 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -6.516   0.897   2.644  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.306   1.533   2.252  0.00  0.00    -0.492 OA
ENDBRANCH  22  30
BRANCH  27  31
ATOM     31  O   LIG    1       -4.896  -1.433  -1.537  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.648  -2.714  -0.951  0.00  0.00    +0.277 C 
ENDBRANCH  27  31
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 8