REMARK  Name = BDB051425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.069  -0.971   0.904  0.00  0.00    +0.137 A 
ATOM      2  S   LIG    1        1.092  -2.338   1.044  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1        2.394  -1.434   0.374  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.949  -0.140   0.097  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        2.851   0.788  -0.461  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        4.164   0.390  -0.723  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.593  -0.904  -0.442  0.00  0.00    +0.016 A 
ATOM      8 BR   LIG    1        5.378   1.633  -1.472  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        3.713  -1.839   0.113  0.00  0.00    +0.018 A 
ATOM     10  N   LIG    1        0.623   0.108   0.408  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1  11
ATOM     11  S   LIG    1       -1.595  -1.025   1.431  0.00  0.00    -0.081 S 
BRANCH  11  13
ATOM     12  C   LIG    1       -2.193   0.185  -1.048  0.00  0.00    +0.034 C 
ATOM     13  C   LIG    1       -2.437   0.303   0.463  0.00  0.00    +0.114 C 
ATOM     14  C   LIG    1       -2.032   1.696   0.965  0.00  0.00    +0.034 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -3.937   0.123   0.743  0.00  0.00    +0.321 C 
ATOM     16  O   LIG    1       -4.619   0.763   1.531  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -4.512  -0.884   0.049  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -5.437  -0.896   0.376  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 4