REMARK  Name = BDB051441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.386  -0.987  -0.586  0.00  0.00    +0.136 A 
ATOM      2  S   LIG    1        0.666  -2.272  -0.986  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1        1.970  -1.429  -0.238  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.492  -0.219   0.271  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        2.389   0.641   0.936  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        3.732   0.273   1.073  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        4.180  -0.938   0.554  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1        6.001  -1.415   0.751  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        3.316  -1.813  -0.109  0.00  0.00    +0.032 A 
ATOM     10  N   LIG    1        0.144   0.018   0.065  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1  11
ATOM     11  S   LIG    1       -2.092  -1.008  -0.985  0.00  0.00    -0.084 S 
BRANCH  11  13
ATOM     12  C   LIG    1       -3.855   1.037  -1.416  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -2.517   0.758  -0.740  0.00  0.00    +0.158 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.617   1.148   0.729  0.00  0.00    +0.318 C 
ATOM     15  O   LIG    1       -2.615   2.313   1.110  0.00  0.00    -0.250 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -2.806   0.127   1.597  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -2.759  -0.742   1.151  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 4