REMARK  Name = BDB029771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.099   0.709  -0.532  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1       -0.067   2.059  -0.879  0.00  0.00    +0.154 A 
ATOM      3  F   LIG    1        1.095   2.649  -1.202  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1       -1.242   2.809  -0.890  0.00  0.00    +0.077 A 
ATOM      5 CL   LIG    1       -1.206   4.476  -1.321  0.00  0.00    -0.081 Cl
ATOM      6  C   LIG    1       -2.458   2.216  -0.552  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -2.516   0.861  -0.197  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -1.327   0.116  -0.191  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -3.800   0.273   0.152  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1       -4.984   0.973   0.084  0.00  0.00    -0.236 NA
ATOM     11  C   LIG    1       -5.917   0.133   0.471  0.00  0.00    +0.199 A 
ATOM     12  N   LIG    1       -5.386  -1.082   0.788  0.00  0.00    -0.339 N 
ATOM     13  C   LIG    1       -6.126  -2.229   1.249  0.00  0.00    +0.150 C 
ATOM     14  C   LIG    1       -4.035  -1.014   0.592  0.00  0.00    +0.115 A 
ENDBRANCH   7   9
BRANCH   1  17
ATOM     15  N   LIG    1        2.327   0.442  -0.846  0.00  0.00    -0.228 N 
ATOM     16  H   LIG    1        2.441   1.460  -0.827  0.00  0.00    +0.171 HD
ATOM     17  C   LIG    1        1.120  -0.143  -0.509  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        1.047  -1.329  -0.190  0.00  0.00    -0.269 OA
BRANCH  15  19
ATOM     19  N   LIG    1        3.581  -0.355  -0.464  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        3.310  -1.306  -0.162  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.502   0.380   0.773  0.00  0.00    +0.044 S 
ATOM     22  O   LIG    1        4.316   1.811   0.639  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        4.186  -0.311   2.003  0.00  0.00    -0.157 OA
BRANCH  21  25
ATOM     24  C   LIG    1        6.422  -1.528   0.235  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        6.166  -0.036   0.269  0.00  0.00    +0.183 C 
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH  15  19
ENDBRANCH   1  17
TORSDOF 5