REMARK  Name = BDB000774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.147  -1.845   1.272  0.00  0.00    +0.137 C 
ATOM      2  N   LIG    1        0.347  -0.935   0.139  0.00  0.00    -0.283 N 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.818  -0.162  -0.111  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1       -0.923   1.183   0.283  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -2.088   1.912   0.031  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -3.155   1.298  -0.613  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -4.272   1.997  -0.853  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -3.081  -0.031  -1.007  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -1.917  -0.759  -0.754  0.00  0.00    +0.026 A 
ENDBRANCH   2   3
BRANCH   2  10
ATOM     10  C   LIG    1        1.617  -0.438  -0.011  0.00  0.00    +0.166 A 
ATOM     11  S   LIG    1        2.071   0.566  -1.365  0.00  0.00    -0.045 S 
ATOM     12  C   LIG    1        3.656   0.632  -0.780  0.00  0.00    +0.076 A 
ATOM     13 BR   LIG    1        5.070   1.592  -1.618  0.00  0.00    -0.041 Br
ATOM     14  C   LIG    1        3.787  -0.100   0.369  0.00  0.00    +0.136 A 
ATOM     15  N   LIG    1        2.626  -0.718   0.797  0.00  0.00    -0.232 NA
ENDBRANCH   2  10
TORSDOF 2