REMARK  Name = BDB032682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.985  -0.615   2.092  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.863  -1.395   2.730  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.055  -0.182   1.290  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -0.042   0.776   0.370  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        1.209   0.877  -0.207  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        2.056  -0.027   0.364  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        1.356  -0.726   1.321  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        3.426  -0.051  -0.138  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.843   0.811  -1.165  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        5.157   0.780  -1.640  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.076  -0.113  -1.095  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.681  -0.975  -0.076  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.366  -0.945   0.399  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1       -2.497   0.089   2.154  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -2.348   1.494   2.458  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -3.277  -0.766   3.029  0.00  0.00    -0.150 OA
BRANCH  14  19
ATOM     17  C   LIG    1       -3.304   2.351  -0.041  0.00  0.00    +0.046 C 
ATOM     18  C   LIG    1       -3.467   0.895  -0.376  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1       -3.147  -0.158   0.505  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1       -3.359  -1.498   0.121  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -3.866  -1.799  -1.141  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1       -4.165  -0.765  -2.015  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -4.652  -1.049  -3.230  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -3.974   0.564  -1.646  0.00  0.00    +0.043 A 
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 4