REMARK  Name = BDB029998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.410  -1.104   0.435  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -1.375  -0.367  -0.165  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -0.027  -0.706   0.037  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        0.281  -1.794   0.850  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1        1.561  -2.138   1.069  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -0.738  -2.535   1.450  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -0.358  -3.884   2.453  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -2.076  -2.196   1.246  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -7.362  -0.717   0.555  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1       -5.966  -0.546   0.247  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1       -4.920  -1.230   0.802  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1       -3.792  -0.718   0.193  0.00  0.00    +0.089 A 
ATOM     13  N   LIG    1       -4.146   0.257  -0.712  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1       -5.456   0.337  -0.657  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1        1.018   0.118  -0.626  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1        2.337  -0.278  -0.491  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1        2.628  -0.939   0.233  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1        0.719   1.123  -1.269  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1        3.388   0.759  -0.905  0.00  0.00    -0.107 NA
ATOM     20  H   LIG    1        2.932   1.530  -1.421  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.259   1.426   0.408  0.00  0.00    +0.081 S 
ATOM     22  O   LIG    1        4.520   0.350   1.343  0.00  0.00    -0.151 OA
ATOM     23  O   LIG    1        3.592   2.643   0.811  0.00  0.00    -0.151 OA
BRANCH  21  24
ATOM     24  C   LIG    1        5.834   1.916  -0.190  0.00  0.00    +0.163 A 
ATOM     25  S   LIG    1        5.879   2.927  -1.572  0.00  0.00    -0.056 S 
ATOM     26  C   LIG    1        7.592   2.930  -1.489  0.00  0.00    +0.157 A 
ATOM     27  N   LIG    1        8.128   2.230  -0.513  0.00  0.00    -0.254 NA
ATOM     28  C   LIG    1        7.118   1.651   0.234  0.00  0.00    +0.147 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 5