REMARK  Name = BDB059550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.155  -1.714  -0.514  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -3.969  -0.596  -0.764  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -3.400   0.652  -1.012  0.00  0.00    +0.109 A 
ATOM      4  C   LIG    1       -2.014   0.806  -1.017  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -1.177  -0.297  -0.776  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -1.756  -1.555  -0.538  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   3   7
ATOM      7  S   LIG    1       -4.683   1.706  -1.257  0.00  0.00    +0.312 S 
ATOM      8  F   LIG    1       -1.643   0.219   2.485  0.00  0.00    -0.093 F 
ATOM      9  F   LIG    1       -1.643   0.217   2.486  0.00  0.00    -0.093 F 
ATOM     10  F   LIG    1       -4.844   2.636  -1.711  0.00  0.00    -0.093 F 
ATOM     11  F   LIG    1       -1.643   0.217   2.486  0.00  0.00    -0.093 F 
ATOM     12  F   LIG    1       -1.643   0.218   2.486  0.00  0.00    -0.093 F 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     13  O   LIG    1       -4.946  -3.267  -0.647  0.00  0.00    -0.245 OA
ATOM     14  C   LIG    1       -3.772  -3.036  -0.251  0.00  0.00    +0.337 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -3.095  -4.037   0.444  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -2.196  -3.885   0.881  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   5  17
ATOM     17  N   LIG    1        0.255  -0.173  -0.773  0.00  0.00    -0.216 N 
ATOM     18  H   LIG    1        0.840  -1.039  -0.751  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  S   LIG    1        1.088   1.343  -0.634  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        0.480   2.174   0.461  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        0.979   2.085  -1.938  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.786   1.040  -0.245  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1        3.164   0.360   0.937  0.00  0.00    +0.143 A 
ATOM     24  C   LIG    1        4.521   0.138   1.204  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        5.501   0.581   0.315  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        5.133   1.251  -0.853  0.00  0.00    +0.020 A 
ATOM     27 BR   LIG    1        6.476   1.856  -2.070  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1        3.783   1.479  -1.132  0.00  0.00    +0.047 A 
BRANCH  23  29
ATOM     29  O   LIG    1        2.229  -0.107   1.863  0.00  0.00    -0.505 OA
ATOM     30  H   LIG    1        1.231   0.007   1.752  0.00  0.00    +0.292 HD
ENDBRANCH  23  29
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 7