REMARK  Name = BDB030113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.182  -0.331   0.124  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.811  -0.329   1.088  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.658   0.138   1.988  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.082  -0.527  -1.061  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.944   0.113  -0.049  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.603  -0.122  -0.398  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.579  -0.073   0.563  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.910   0.213   1.886  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.954   0.273   2.828  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.237   0.446   2.245  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.647   0.798   3.882  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.251   0.397   1.287  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.224   0.345  -2.562  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        6.848   0.151  -2.183  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        6.306   0.367  -0.946  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.970   0.049  -1.079  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        4.706  -0.351  -2.370  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.852  -0.280  -3.007  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.249  -0.241   0.553  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -2.235  -0.327  -0.478  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.055   1.196   0.989  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -3.201   1.984  -0.213  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.376   1.715   2.159  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.655   0.579   1.494  0.00  0.00    +0.192 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.529   0.085   0.351  0.00  0.00    +0.039 C 
ATOM     26  C   LIG    1       -5.105  -1.241  -0.258  0.00  0.00    +0.165 C 
ATOM     27  O   LIG    1       -6.290  -1.850  -0.792  0.00  0.00    -0.379 OA
ATOM     28  C   LIG    1       -7.432  -1.113  -0.338  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1       -6.946  -0.231   0.790  0.00  0.00    +0.035 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6