REMARK  Name = BDB002791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.880  -0.487   0.596  0.00  0.00    +0.066 C 
ATOM      2  N   LIG    1       -0.130   0.107   0.028  0.00  0.00    -0.185 NA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.261  -0.019   0.218  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1        3.416  -0.743   0.531  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        4.674  -0.260   0.154  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        4.804   0.946  -0.539  0.00  0.00    +0.127 A 
ATOM      7  C   LIG    1        3.656   1.661  -0.875  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.396   1.181  -0.496  0.00  0.00    +0.013 A 
BRANCH   6   9
ATOM      9  O   LIG    1        6.089   1.295  -0.841  0.00  0.00    -0.434 OA
BRANCH   9  10
ATOM     10  C   LIG    1        6.295   2.617  -1.310  0.00  0.00    +0.541 C 
ATOM     11  F   LIG    1        7.636   2.821  -1.363  0.00  0.00    -0.166 F 
ATOM     12  F   LIG    1        5.839   2.715  -2.583  0.00  0.00    -0.166 F 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   1   3
BRANCH   1  14
ATOM     13  C   LIG    1        0.612  -2.962   0.935  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1        0.742  -1.611   1.618  0.00  0.00    +0.054 C 
ENDBRANCH   1  14
BRANCH   2  15
ATOM     15  N   LIG    1       -1.404  -0.282   0.302  0.00  0.00    -0.218 N 
ATOM     16  H   LIG    1       -1.554  -1.155   0.786  0.00  0.00    +0.176 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -2.498   0.319  -0.320  0.00  0.00    +0.150 C 
ATOM     18  S   LIG    1       -2.395   1.572  -1.427  0.00  0.00    -0.017 S 
BRANCH  17  19
ATOM     19  N   LIG    1       -3.681  -0.279   0.102  0.00  0.00    -0.323 N 
ATOM     20  H   LIG    1       -3.612  -0.814   0.955  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -5.044   0.126  -0.261  0.00  0.00    +0.066 C 
ATOM     22  C   LIG    1       -5.973  -1.083  -0.183  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -5.538   1.238   0.662  0.00  0.00    +0.027 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 8