REMARK  Name = BDB029808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.246   0.415   1.915  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.414   1.285   2.605  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.544   2.291   2.478  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.952  -0.760   1.705  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.641   0.544   0.220  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.411   0.093   0.731  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.534   0.961   1.403  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.902   2.296   1.561  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        2.084   3.155   2.192  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.120   2.756   1.061  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.574   4.407   1.259  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.987   1.889   0.394  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.387  -1.565  -2.273  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        7.157  -1.322  -1.563  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        6.737  -0.127  -1.047  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        5.513  -0.395  -0.469  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        5.197  -1.726  -0.631  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        6.202  -2.255  -1.290  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.016   0.846   2.798  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.416   0.954   3.734  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.103   1.227   1.558  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -3.330   1.628   2.211  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.426   2.103   0.624  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.352  -0.376   0.803  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.296  -0.297  -0.390  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -4.734   0.078  -0.029  0.00  0.00    +0.114 C 
ATOM     27  N   LIG    1       -5.541  -0.427  -1.170  0.00  0.00    -0.181 NA
ATOM     28  C   LIG    1       -4.740  -1.445  -1.904  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -3.487  -1.649  -1.064  0.00  0.00    +0.023 C 
BRANCH  27  30
ATOM     30  S   LIG    1       -7.150  -0.853  -0.862  0.00  0.00    +0.029 S 
ATOM     31  O   LIG    1       -7.157  -1.747   0.276  0.00  0.00    -0.158 OA
ATOM     32  O   LIG    1       -7.745  -1.244  -2.122  0.00  0.00    -0.158 OA
ATOM     33  C   LIG    1       -7.858   0.707  -0.376  0.00  0.00    +0.215 C 
ENDBRANCH  27  30
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7