REMARK  Name = BDB059610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.830  -0.222   0.008  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1       -1.870  -0.721   0.918  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1       -0.945   0.161   1.516  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.032   1.535   1.265  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -1.989   2.029   0.382  0.00  0.00    +0.109 A 
ATOM      6  C   LIG    1       -2.873   1.159  -0.254  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  S   LIG    1       -0.833   3.536   1.150  0.00  0.00    +0.312 S 
ATOM      8  F   LIG    1       -4.276   0.590   2.974  0.00  0.00    -0.093 F 
ATOM      9  F   LIG    1        0.237   0.121  -1.764  0.00  0.00    -0.093 F 
ATOM     10  F   LIG    1        0.237   0.121  -1.764  0.00  0.00    -0.093 F 
ATOM     11  F   LIG    1        0.237   0.121  -1.764  0.00  0.00    -0.093 F 
ATOM     12  F   LIG    1        0.237   0.121  -1.764  0.00  0.00    -0.093 F 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     13  C   LIG    1       -6.022  -1.474  -1.839  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1       -5.102  -0.686  -1.023  0.00  0.00    -0.314 N 
ATOM     15  H   LIG    1       -5.452   0.225  -0.651  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -3.781  -1.132  -0.676  0.00  0.00    +0.247 C 
ATOM     17  O   LIG    1       -3.424  -2.311  -0.951  0.00  0.00    -0.270 OA
ENDBRANCH   1  16
BRANCH   2  18
ATOM     18  O   LIG    1       -1.874  -2.079   1.248  0.00  0.00    -0.504 OA
ATOM     19  H   LIG    1       -1.280  -2.466   1.971  0.00  0.00    +0.292 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  N   LIG    1        0.091  -0.326   2.374  0.00  0.00    -0.213 N 
ATOM     21  H   LIG    1        0.212   0.127   3.308  0.00  0.00    +0.174 HD
BRANCH  20  22
ATOM     22  S   LIG    1        1.476  -1.120   1.698  0.00  0.00    +0.075 S 
ATOM     23  O   LIG    1        2.269  -1.760   2.801  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        1.012  -2.189   0.748  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        2.488   0.063   0.859  0.00  0.00    +0.135 A 
ATOM     26  C   LIG    1        3.216  -0.269  -0.303  0.00  0.00    +0.098 A 
ATOM     27  C   LIG    1        3.983   0.723  -0.960  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        4.689   0.381  -2.121  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        4.631  -0.925  -2.610  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        3.870  -1.878  -1.932  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        4.029   2.026  -0.447  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1        3.325   2.343   0.717  0.00  0.00    +0.020 A 
ATOM     33 BR   LIG    1        3.396   4.118   1.419  0.00  0.00    -0.050 Br
ATOM     34  N   LIG    1        3.188  -1.534  -0.808  0.00  0.00    -0.253 NA
ATOM     35  C   LIG    1        2.566   1.367   1.368  0.00  0.00    +0.046 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 6