REMARK  Name = BDB002162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.800  -4.816  -0.247  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -0.792  -3.343  -0.524  0.00  0.00    +0.042 A 
ATOM      3  N   LIG    1        0.159  -2.603   0.080  0.00  0.00    -0.216 NA
ATOM      4  C   LIG    1        0.203  -1.278  -0.202  0.00  0.00    +0.250 A 
ATOM      5  C   LIG    1       -0.726  -0.625  -1.004  0.00  0.00    +0.158 A 
ATOM      6  C   LIG    1       -1.731  -1.399  -1.617  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1       -2.779  -0.844  -2.539  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -1.739  -2.782  -1.373  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   5   9
ATOM      9  S   LIG    1       -0.634   1.134  -1.215  0.00  0.00    +0.030 S 
ATOM     10  O   LIG    1        0.632   1.635  -0.709  0.00  0.00    -0.164 OA
ATOM     11  O   LIG    1       -1.008   1.428  -2.587  0.00  0.00    -0.164 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -1.881   1.837  -0.155  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -2.891   2.636  -0.698  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -3.866   3.172   0.142  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.826   2.914   1.514  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.808   2.124   2.052  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -1.828   1.585   1.220  0.00  0.00    +0.027 A 
ENDBRANCH   9  12
ENDBRANCH   5   9
BRANCH   4  18
ATOM     18  O   LIG    1        1.193  -0.599   0.492  0.00  0.00    -0.402 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.370  -0.663  -0.215  0.00  0.00    +0.347 C 
ATOM     20  O   LIG    1        2.571  -1.107  -1.335  0.00  0.00    -0.244 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.401   0.065   0.544  0.00  0.00    +0.081 A 
ATOM     22  C   LIG    1        3.770  -0.280   1.853  0.00  0.00    +0.058 A 
ATOM     23 CL   LIG    1        3.082  -1.619   2.696  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        4.759   0.457   2.510  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        5.375   1.520   1.855  0.00  0.00    +0.160 A 
ATOM     26  F   LIG    1        6.323   2.219   2.493  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        5.020   1.850   0.553  0.00  0.00    +0.159 A 
ATOM     28  F   LIG    1        5.623   2.870  -0.071  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        4.038   1.127  -0.113  0.00  0.00    +0.057 A 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5