REMARK  Name = BDB002239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.749  -0.302  -1.069  0.00  0.00    -0.174 NA
ATOM      2  C   LIG    1       -0.543  -0.606  -1.781  0.00  0.00    +0.128 C 
ATOM      3  C   LIG    1       -1.506   0.591  -1.673  0.00  0.00    +0.125 C 
ATOM      4  N   LIG    1       -1.720   0.946  -0.266  0.00  0.00    -0.299 N 
ATOM      5  C   LIG    1       -2.802   0.513   0.497  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -2.754   0.503   1.726  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -0.472   1.269   0.432  0.00  0.00    +0.125 C 
ATOM      8  C   LIG    1        0.496   0.075   0.370  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   9
ATOM      9  S   LIG    1        1.913  -1.538  -1.287  0.00  0.00    +0.061 S 
ATOM     10  O   LIG    1        1.550  -2.630  -0.410  0.00  0.00    -0.153 OA
ATOM     11  O   LIG    1        2.080  -1.743  -2.711  0.00  0.00    -0.153 OA
BRANCH   9  16
ATOM     12  C   LIG    1        6.990   1.077   0.758  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        5.750   0.410   0.240  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1        5.197  -0.684   0.922  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.029  -1.290   0.459  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1        3.402  -0.788  -0.683  0.00  0.00    +0.105 A 
ATOM     17  C   LIG    1        3.936   0.305  -1.370  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        5.105   0.906  -0.902  0.00  0.00    +0.005 A 
ENDBRANCH   9  16
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1       -4.039   0.064  -0.274  0.00  0.00    +0.099 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.297  -0.258   0.553  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1       -5.115  -1.469   1.468  0.00  0.00    +0.008 C 
ATOM     22  C   LIG    1       -5.820   0.951   1.329  0.00  0.00    +0.008 C 
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 4