REMARK  Name = BDB000188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.504   0.041  -0.222  0.00  0.00    +0.166 A 
ATOM      2  S   LIG    1        0.777  -1.492  -0.158  0.00  0.00    -0.051 S 
ATOM      3  C   LIG    1       -0.779  -0.760  -0.057  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.626   0.621  -0.107  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1        0.689   1.065  -0.179  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.710   1.596  -0.066  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.573   2.737   0.737  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -2.591   3.693   0.796  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -3.749   3.514   0.044  0.00  0.00    +0.018 A 
ATOM     10 BR   LIG    1       -5.128   4.804   0.123  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1       -3.895   2.394  -0.772  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1       -2.875   1.440  -0.831  0.00  0.00    +0.011 A 
ENDBRANCH   4   6
BRANCH   3  13
ATOM     13  C   LIG    1       -1.962  -1.609   0.101  0.00  0.00    -0.009 A 
ATOM     14  C   LIG    1       -2.274  -2.597  -0.844  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.413  -3.391  -0.693  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.252  -3.206   0.404  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.953  -2.229   1.351  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.814  -1.435   1.202  0.00  0.00    +0.009 A 
ENDBRANCH   3  13
BRANCH   1  20
ATOM     19  C   LIG    1        3.845  -0.741  -0.306  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1        2.855   0.217  -0.323  0.00  0.00    -0.263 N 
ATOM     21  H   LIG    1        3.169   1.183  -0.327  0.00  0.00    +0.157 HD
ATOM     22  O   LIG    1        3.702  -1.955  -0.213  0.00  0.00    -0.274 OA
BRANCH  19  24
ATOM     23  C   LIG    1        6.353  -0.985   0.043  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1        5.239  -0.093  -0.492  0.00  0.00    +0.135 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.274   1.237   0.163  0.00  0.00    -0.320 NA
ATOM     26  H   LIG    1        6.183   1.664  -0.024  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1        5.254   1.099   1.177  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5