REMARK  Name = BDB029773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.237   0.147  -1.121  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -2.066   0.290  -0.362  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -0.798   0.251  -0.969  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -0.710   0.063  -2.348  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1        0.489   0.014  -2.950  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -1.867  -0.080  -3.113  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -1.760  -0.309  -4.817  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -3.122  -0.037  -2.506  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -7.029   0.375   2.078  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1       -6.226   0.283   0.886  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1       -4.861   0.296   0.825  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1       -4.560   0.185  -0.517  0.00  0.00    +0.089 A 
ATOM     13  N   LIG    1       -5.720   0.106  -1.257  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1       -6.702   0.168  -0.386  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1        0.399   0.413  -0.103  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1        1.643   0.391  -0.706  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1        1.770   0.014  -1.649  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1        0.275   0.558   1.112  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1        2.837   0.212   0.234  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        2.538   0.352   1.214  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.618  -1.288   0.066  0.00  0.00    +0.050 S 
ATOM     22  O   LIG    1        3.654  -1.580  -1.354  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.985  -2.204   0.988  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        5.285  -0.969   0.624  0.00  0.00    +0.177 C 
ATOM     25  C   LIG    1        5.322  -0.514   2.061  0.00  0.00    +0.187 C 
ATOM     26  O   LIG    1        5.362   0.920   2.055  0.00  0.00    -0.378 OA
ATOM     27  C   LIG    1        5.689   1.375   0.736  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1        5.974   0.153  -0.113  0.00  0.00    +0.058 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 5