REMARK  Name = BDB029755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.244   0.440   0.503  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.894   1.089   0.055  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.927   1.511  -0.877  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.196  -0.359   1.436  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.946   0.357  -0.314  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.700   0.124   0.293  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.528   0.732  -0.188  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.613   1.581  -1.290  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.510   2.173  -1.777  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.843   1.821  -1.900  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        2.949   2.873  -3.261  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.005   1.215  -1.419  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.563  -1.328   0.415  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        7.159  -1.033   0.542  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        6.403  -0.284  -0.317  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        5.132  -0.293   0.222  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        5.117  -1.033   1.383  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        6.347  -1.463   1.548  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.225   0.507   0.549  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -2.039  -0.213   1.268  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.176  -0.172  -0.697  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -3.019  -1.607  -0.611  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.854   0.555  -1.909  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.828   0.277  -0.164  0.00  0.00    +0.154 C 
ATOM     25  C   LIG    1       -5.855  -0.132  -1.228  0.00  0.00    +0.056 C 
ATOM     26  C   LIG    1       -7.221  -0.418  -0.619  0.00  0.00    +0.161 C 
ATOM     27  O   LIG    1       -7.428   0.426   0.507  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -6.590   0.083   1.612  0.00  0.00    +0.161 C 
ATOM     29  C   LIG    1       -5.184  -0.332   1.189  0.00  0.00    +0.056 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5