REMARK  Name = BDB029768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.620  -0.725   0.430  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -0.454  -0.429  -0.291  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.793  -0.948   0.104  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        0.864  -1.766   1.231  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1        2.044  -2.266   1.630  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -0.288  -2.066   1.955  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -0.202  -3.076   3.348  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -1.522  -1.550   1.560  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -5.349   1.593  -1.895  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1       -4.561   0.813  -0.976  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1       -3.213   0.593  -1.045  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1       -2.922  -0.203   0.044  0.00  0.00    +0.089 A 
ATOM     13  N   LIG    1       -4.070  -0.462   0.760  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1       -5.035   0.161   0.123  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1        1.988  -0.593  -0.707  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1        3.199  -1.149  -0.349  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1        3.353  -1.652   0.527  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1        1.889   0.184  -1.655  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1        4.428  -0.682  -1.080  0.00  0.00    -0.113 NA
ATOM     20  H   LIG    1        4.266  -0.426  -2.062  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        5.412   0.444  -0.274  0.00  0.00    +0.042 S 
ATOM     22  O   LIG    1        6.592   0.637  -1.087  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        5.492   0.039   1.114  0.00  0.00    -0.157 OA
ATOM     24  C   LIG    1        4.425   1.923  -0.370  0.00  0.00    +0.216 C 
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 4