REMARK  Name = BDB037147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.396   0.046   1.093  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -1.104  -1.032   1.628  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -0.977  -1.984   1.304  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.763   1.207   1.176  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        2.441   0.265  -1.375  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.125  -0.943  -1.182  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        2.660  -1.825  -0.192  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.528  -1.515   0.568  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.839  -0.316   0.345  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        1.300   0.574  -0.631  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        3.341   2.345  -1.836  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        2.860   1.108  -2.369  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        4.362  -1.279  -1.980  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.576  -0.871  -1.284  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.147   0.325  -1.544  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.228   0.339  -0.761  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.367  -0.845  -0.017  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.290  -1.616  -0.384  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -2.483  -0.893   2.557  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.999  -2.243   2.672  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.080  -0.168   3.743  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.626   0.037   1.574  0.00  0.00    +0.191 A 
ATOM     23  C   LIG    1       -3.906  -0.364   0.251  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1       -4.921   0.284  -0.486  0.00  0.00    -0.007 A 
ATOM     25  C   LIG    1       -5.362  -0.173  -1.849  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -5.564   1.397   0.074  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -5.256   1.819   1.363  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -4.293   1.142   2.115  0.00  0.00    +0.150 A 
BRANCH  23  29
ATOM     29  O   LIG    1       -3.245  -1.449  -0.272  0.00  0.00    -0.493 OA
ATOM     30  C   LIG    1       -2.465  -1.127  -1.427  0.00  0.00    +0.277 C 
ENDBRANCH  23  29
BRANCH  28  31
ATOM     31  O   LIG    1       -4.130   1.537   3.414  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -3.300   2.698   3.492  0.00  0.00    +0.277 C 
ENDBRANCH  28  31
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 8