REMARK  Name = BDB029891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.285   0.527   0.384  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.872   1.105  -0.110  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.962   1.337  -1.103  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.290  -0.072   1.458  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.923   0.189  -0.643  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        2.718   0.110   0.080  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.522   0.645  -0.431  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1        1.543   1.263  -1.678  0.00  0.00    +0.171 A 
ATOM      9  F   LIG    1        0.427   1.784  -2.212  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1        2.730   1.345  -2.397  0.00  0.00    +0.160 A 
ATOM     11  F   LIG    1        2.743   1.943  -3.596  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1        3.915   0.816  -1.893  0.00  0.00    +0.051 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.565  -1.418   0.095  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        7.174  -1.082   0.252  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        6.370  -0.484  -0.679  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        5.136  -0.377  -0.072  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        5.188  -0.899   1.201  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        6.423  -1.313   1.366  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.174   0.668   0.574  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.950   0.097   1.407  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.220  -0.213  -0.450  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -3.079  -1.607  -0.095  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.974   0.256  -1.799  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.824   0.377   0.094  0.00  0.00    +0.154 C 
ATOM     25  C   LIG    1       -5.929  -0.202  -0.800  0.00  0.00    +0.056 C 
ATOM     26  C   LIG    1       -7.253  -0.326  -0.058  0.00  0.00    +0.161 C 
ATOM     27  O   LIG    1       -7.367   0.726   0.893  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -6.460   0.581   1.985  0.00  0.00    +0.161 C 
ATOM     29  C   LIG    1       -5.093   0.053   1.560  0.00  0.00    +0.056 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5