REMARK  Name = BDB051427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.209   1.153   0.139  0.00  0.00    +0.136 A 
ATOM      2  S   LIG    1       -1.052   2.283  -0.102  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1       -2.210   1.019   0.066  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.538  -0.182   0.304  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -2.288  -1.362   0.478  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -3.682  -1.300   0.407  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -4.338  -0.096   0.169  0.00  0.00    +0.016 A 
ATOM      8 BR   LIG    1       -4.693  -2.882   0.639  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -3.611   1.086  -0.006  0.00  0.00    +0.018 A 
ATOM     10  N   LIG    1       -0.156  -0.088   0.348  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1  11
ATOM     11  S   LIG    1        1.895   1.628   0.135  0.00  0.00    -0.084 S 
BRANCH  11  13
ATOM     12  C   LIG    1        2.619  -0.456  -1.518  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1        2.723   0.001  -0.066  0.00  0.00    +0.158 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.189   0.095   0.353  0.00  0.00    +0.318 C 
ATOM     15  O   LIG    1        5.073  -0.631  -0.082  0.00  0.00    -0.250 OA
BRANCH  14  16
ATOM     16  O   LIG    1        4.451   1.012   1.316  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        3.658   1.541   1.539  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 4