REMARK  Name = BDB023392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.631   0.043   1.673  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        0.181   0.010   0.536  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1        1.002  -0.165  -0.585  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1        0.631  -0.229  -1.525  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.232   0.079   0.211  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -2.124   0.079   1.252  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -3.377   0.151   0.730  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1       -3.323   0.198  -0.654  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -4.529   0.279  -1.382  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -5.732   0.291  -0.631  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -5.770   0.248   0.776  0.00  0.00    -0.040 A 
ATOM     12  C   LIG    1       -4.554   0.171   1.474  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1       -1.937   0.152  -0.982  0.00  0.00    +0.063 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -4.565   0.335  -2.884  0.00  0.00    +0.418 C 
ATOM     15  F   LIG    1       -3.753   1.305  -3.389  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -4.147  -0.830  -3.453  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -5.803   0.579  -3.397  0.00  0.00    -0.166 F 
ENDBRANCH   9  14
BRANCH  11  18
ATOM     18  C   LIG    1       -7.086   0.249   1.518  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -8.097   1.346   1.271  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -7.358   1.296   2.574  0.00  0.00    +0.009 C 
ENDBRANCH  11  18
ENDBRANCH   2   5
BRANCH   3  21
ATOM     21  S   LIG    1        2.628   0.187  -0.603  0.00  0.00    +0.075 S 
ATOM     22  O   LIG    1        2.956   0.131  -2.014  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        2.826   1.386   0.179  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.460  -1.182   0.171  0.00  0.00    +0.116 A 
ATOM     25  C   LIG    1        4.865  -1.154   0.298  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        5.502  -2.273   0.871  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        4.772  -3.381   1.304  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.388  -3.393   1.171  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        2.731  -2.301   0.603  0.00  0.00    +0.029 A 
BRANCH  25  30
ATOM     30  C   LIG    1        5.706  -0.034  -0.143  0.00  0.00    -0.016 A 
ATOM     31  C   LIG    1        6.274  -0.028  -1.427  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        7.083   1.031  -1.844  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.336   2.096  -0.981  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.783   2.102   0.298  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        5.976   1.042   0.715  0.00  0.00    +0.008 A 
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   3  21
TORSDOF 6