REMARK  Name = BDB029898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.449  -0.747  -0.285  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.686  -0.074  -0.702  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.754   0.943  -0.607  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.433  -1.956  -0.060  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        2.960   3.626  -0.269  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        2.939   2.135  -0.109  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        1.746   1.425  -0.283  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1        0.641   2.107  -0.622  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1        1.696   0.042  -0.105  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        2.866  -0.641   0.266  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        4.073   0.047   0.457  0.00  0.00    -0.014 A 
ATOM     12  C   LIG    1        4.095   1.438   0.273  0.00  0.00    +0.014 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.270  -0.678   0.850  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        6.566  -0.301   0.557  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1        7.377  -1.260   1.093  0.00  0.00    -0.274 N 
ATOM     16  C   LIG    1        8.818  -1.308   1.044  0.00  0.00    +0.172 C 
ATOM     17  N   LIG    1        6.704  -2.242   1.717  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        5.425  -1.890   1.566  0.00  0.00    +0.142 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1       -2.008  -0.831  -0.527  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.816  -1.806  -0.242  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.059  -0.110   0.612  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -2.812   1.318   0.571  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.913  -0.869   1.834  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.667  -0.473  -0.114  0.00  0.00    +0.149 C 
ATOM     25  C   LIG    1       -4.837   0.172  -1.489  0.00  0.00    +0.028 C 
ATOM     26  C   LIG    1       -6.160  -0.235  -2.145  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -7.272  -0.543  -1.141  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -7.114   0.259   0.142  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -5.788  -0.043   0.846  0.00  0.00    +0.028 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5