REMARK  Name = BDB051432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.253   1.346   0.086  0.00  0.00    +0.137 A 
ATOM      2  S   LIG    1        1.493   2.275   0.815  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1        2.498   0.879   0.880  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.807  -0.200   0.326  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        2.443  -1.458   0.269  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        3.743  -1.601   0.766  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        4.407  -0.509   1.315  0.00  0.00    +0.042 A 
ATOM      8 CL   LIG    1        6.006  -0.708   1.921  0.00  0.00    -0.084 Cl
ATOM      9  C   LIG    1        3.804   0.749   1.383  0.00  0.00    +0.037 A 
ATOM     10  N   LIG    1        0.531   0.082  -0.127  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1  11
ATOM     11  S   LIG    1       -1.283   2.056  -0.364  0.00  0.00    -0.081 S 
BRANCH  11  13
ATOM     12  C   LIG    1       -3.826   1.116  -0.572  0.00  0.00    +0.034 C 
ATOM     13  C   LIG    1       -2.383   0.589  -0.554  0.00  0.00    +0.114 C 
ATOM     14  C   LIG    1       -2.090  -0.109  -1.888  0.00  0.00    +0.034 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -2.262  -0.334   0.661  0.00  0.00    +0.321 C 
ATOM     16  O   LIG    1       -2.087  -0.002   1.825  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -2.468  -1.639   0.379  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -2.356  -2.079   1.248  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 4