REMARK  Name = BDB029968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.379  -1.236   0.260  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -1.156  -0.742  -0.226  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.040  -0.924   0.488  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        0.004  -1.608   1.702  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1        1.130  -1.791   2.411  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -1.203  -2.104   2.194  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -1.248  -2.953   3.693  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -2.389  -1.922   1.481  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -7.098  -1.015  -1.276  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1       -5.663  -0.928  -1.191  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1       -4.887  -1.299  -0.128  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1       -3.591  -1.027  -0.516  0.00  0.00    +0.089 A 
ATOM     13  N   LIG    1       -3.580  -0.501  -1.789  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1       -4.837  -0.454  -2.167  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1        1.297  -0.372  -0.082  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1        2.483  -0.658   0.573  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1        2.503  -1.039   1.520  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1        1.280   0.315  -1.101  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1        3.690   0.179   0.157  0.00  0.00    -0.106 NA
ATOM     20  H   LIG    1        3.524   0.638  -0.753  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.151   1.375   1.304  0.00  0.00    +0.097 S 
ATOM     22  O   LIG    1        4.680   0.676   2.459  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        3.048   2.307   1.428  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        5.493   2.292   0.590  0.00  0.00    +0.234 A 
ATOM     25  S   LIG    1        6.314   3.410   1.589  0.00  0.00    -0.056 S 
ATOM     26  C   LIG    1        7.320   3.819   0.259  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        6.954   3.081  -0.848  0.00  0.00    +0.120 A 
ATOM     28  N   LIG    1        5.902   2.205  -0.664  0.00  0.00    -0.229 NA
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 5