REMARK  Name = BDB029766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.090  -0.737  -1.430  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.614  -1.667  -2.168  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.362  -2.658  -2.196  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.369   0.380  -1.198  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.421  -0.506   0.369  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.154  -0.196  -0.157  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -1.423  -1.135  -0.903  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -1.971  -2.398  -1.119  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.293  -3.321  -1.821  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.226  -2.718  -0.603  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.904  -4.280  -0.870  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -3.950  -1.781   0.137  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -6.836   1.981   2.980  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -5.636   1.596   2.283  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -5.416   0.403   1.650  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -4.138   0.500   1.137  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -3.594   1.725   1.452  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -4.517   2.359   2.139  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        2.044  -1.341  -2.520  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        2.234  -0.339  -2.626  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.238  -2.191  -1.665  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        2.670  -3.488  -1.350  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        4.473  -2.074  -2.407  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.370  -1.264  -0.134  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.351  -0.099  -0.184  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        4.521   0.562   1.184  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        5.181   1.900   0.873  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        4.781   2.242  -0.562  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        3.920   1.081  -1.050  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6