REMARK  Name = BDB023252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.752  -0.968   0.218  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.263  -0.368  -0.728  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.054   0.245  -1.706  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.674   0.825  -2.442  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.158  -0.158  -0.922  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.002  -0.549   0.088  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.274  -0.263  -0.298  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.273   0.316  -1.555  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.508   0.671  -2.108  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.686   0.441  -1.389  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.659  -0.138  -0.111  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.575   1.231  -3.323  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.425  -0.510   0.450  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.911   0.380  -1.955  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.861  -0.374   0.592  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        8.109   0.321   0.445  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.527  -0.326   1.769  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.026  -0.512   2.012  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -2.662  -0.117  -1.947  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1       -3.066   0.785  -3.005  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.716  -1.548  -2.098  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.490   0.437  -0.470  0.00  0.00    +0.134 A 
ATOM     23  C   LIG    1       -4.672  -0.148   0.018  0.00  0.00    +0.118 A 
ATOM     24  S   LIG    1       -5.428  -1.509  -0.837  0.00  0.00    -0.001 S 
ATOM     25  C   LIG    1       -7.031  -1.758  -0.126  0.00  0.00    +0.172 C 
ATOM     26  C   LIG    1       -7.568  -0.530   0.571  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1       -6.623  -0.115   1.689  0.00  0.00    +0.039 C 
ATOM     28  O   LIG    1       -4.665  -2.693  -0.504  0.00  0.00    -0.169 OA
ATOM     29  O   LIG    1       -5.646  -1.056  -2.197  0.00  0.00    -0.169 OA
ATOM     30  C   LIG    1       -5.313   0.400   1.151  0.00  0.00    -0.021 A 
ATOM     31  C   LIG    1       -4.714   1.480   1.820  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.541   2.054   1.343  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -2.942   1.550   0.193  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 4