REMARK  Name = BDB002168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.338  -1.086  -0.570  0.00  0.00    +0.142 C 
ATOM      2  S   LIG    1       -0.300  -2.697  -0.745  0.00  0.00    -0.040 S 
ATOM      3  C   LIG    1       -1.885  -2.087  -0.313  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1       -2.998  -2.833  -0.217  0.00  0.00    +0.180 C 
ATOM      5  O   LIG    1       -1.886  -0.717  -0.074  0.00  0.00    -0.446 OA
ATOM      6  C   LIG    1       -0.604  -0.190  -0.249  0.00  0.00    +0.157 C 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -0.489   1.261  -0.077  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        0.121   2.063  -1.052  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        0.208   3.446  -0.880  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.322   4.043   0.262  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -0.944   3.259   1.231  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.032   1.875   1.060  0.00  0.00    +0.011 A 
ENDBRANCH   6   7
BRANCH   4  13
ATOM     13  C   LIG    1       -4.329  -2.293   0.157  0.00  0.00    +0.431 C 
ATOM     14  F   LIG    1       -4.832  -2.917   1.255  0.00  0.00    -0.165 F 
ATOM     15  F   LIG    1       -4.335  -0.967   0.448  0.00  0.00    -0.165 F 
ATOM     16  F   LIG    1       -5.237  -2.465  -0.839  0.00  0.00    -0.165 F 
ENDBRANCH   4  13
BRANCH   1  17
ATOM     17  C   LIG    1        1.782  -0.869  -0.795  0.00  0.00    +0.350 C 
ATOM     18  O   LIG    1        2.435  -1.435  -1.658  0.00  0.00    -0.244 OA
BRANCH  17  19
ATOM     19  O   LIG    1        2.265   0.011   0.118  0.00  0.00    -0.461 OA
BRANCH  19  21
ATOM     20  C   LIG    1        4.471  -0.699   0.816  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        3.665   0.311   0.022  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   4  22
ATOM     22  C   LIG    1       -2.988  -4.230  -0.467  0.00  0.00    +0.108 C 
ATOM     23  N   LIG    1       -2.990  -5.372  -0.667  0.00  0.00    -0.191 NA
ENDBRANCH   4  22
TORSDOF 6