REMARK  Name = BDB051825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.703  -0.343  -2.542  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.070  -1.380  -3.217  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.158  -1.221  -3.730  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.702  -2.610  -3.352  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.978  -2.797  -2.812  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.634  -1.759  -2.124  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.991  -0.515  -2.021  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1        2.961   1.717   0.622  0.00  0.00    -0.163 NA
ATOM      9  C   LIG    1        1.958   2.714   0.097  0.00  0.00    +0.129 C 
ATOM     10  C   LIG    1        1.590   2.456  -1.368  0.00  0.00    +0.125 C 
ATOM     11  N   LIG    1        1.008   1.123  -1.548  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -0.063   0.975  -2.421  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -0.557   1.895  -3.067  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        1.499   0.089  -0.631  0.00  0.00    +0.125 C 
ATOM     15  C   LIG    1        2.901   0.400  -0.089  0.00  0.00    +0.129 C 
BRANCH   8  16
ATOM     16  S   LIG    1        4.512   2.382   0.815  0.00  0.00    +0.099 S 
ATOM     17  O   LIG    1        4.359   3.602   1.574  0.00  0.00    -0.141 OA
ATOM     18  O   LIG    1        5.155   2.385  -0.477  0.00  0.00    -0.141 OA
BRANCH  16  20
ATOM     19  C   LIG    1        4.720   1.089   3.167  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1        5.250   1.258   1.809  0.00  0.00    -0.172 NA
ATOM     21  C   LIG    1        5.894   0.071   1.246  0.00  0.00    +0.132 C 
ENDBRANCH  16  20
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   6  22
ATOM     22  C   LIG    1       -4.034  -1.999  -1.587  0.00  0.00    +0.090 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.430  -1.167  -0.388  0.00  0.00    +0.046 A 
ATOM     24  N   LIG    1       -3.916  -1.391   0.916  0.00  0.00    -0.296 N 
ATOM     25  C   LIG    1       -4.285  -0.541   1.963  0.00  0.00    +0.114 A 
ATOM     26  C   LIG    1       -3.625  -0.914   3.115  0.00  0.00    +0.054 A 
ATOM     27  C   LIG    1       -2.848  -2.041   2.802  0.00  0.00    +0.078 A 
ATOM     28 CL   LIG    1       -1.869  -2.868   3.918  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -5.218   0.541   1.764  0.00  0.00    +0.273 A 
ATOM     30  O   LIG    1       -5.586   1.314   2.642  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -5.687   0.655   0.473  0.00  0.00    -0.326 N 
ATOM     32  H   LIG    1       -6.339   1.416   0.318  0.00  0.00    +0.168 HD
ATOM     33  C   LIG    1       -3.058  -2.326   1.475  0.00  0.00    +0.133 A 
ATOM     34 CL   LIG    1       -2.412  -3.644   0.601  0.00  0.00    -0.062 Cl
ATOM     35  C   LIG    1       -5.309  -0.157  -0.565  0.00  0.00    +0.108 A 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 5