REMARK  Name = BDB023230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.779  -1.060   0.472  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.337  -0.203  -0.278  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.170   0.677  -0.979  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.814   1.453  -1.522  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.072   0.059  -0.489  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.966  -0.530   0.370  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.215  -0.145  -0.003  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        3.151   0.686  -1.109  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        4.351   1.177  -1.646  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        5.561   0.808  -1.031  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        5.600  -0.024   0.101  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        4.399  -0.527   0.626  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.771   0.811  -1.420  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  N   LIG    1        6.836  -0.377   0.686  0.00  0.00    -0.318 N 
ATOM     15  C   LIG    1        8.076   0.343   0.615  0.00  0.00    +0.182 C 
ATOM     16  C   LIG    1        8.558  -0.465   1.833  0.00  0.00    +0.279 C 
ATOM     17  F   LIG    1        9.381  -1.509   1.569  0.00  0.00    -0.202 F 
ATOM     18  F   LIG    1        9.146   0.250   2.822  0.00  0.00    -0.202 F 
ATOM     19  C   LIG    1        7.072  -0.806   2.036  0.00  0.00    +0.182 C 
ENDBRANCH  11  14
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  S   LIG    1       -2.788   0.406  -1.242  0.00  0.00    +0.075 S 
ATOM     21  O   LIG    1       -3.199   1.523  -2.070  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.910  -0.959  -1.698  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.595   0.615   0.329  0.00  0.00    +0.116 A 
ATOM     24  C   LIG    1       -4.903   0.124   0.521  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -5.493   0.300   1.789  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -4.819   0.953   2.822  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.539   1.452   2.608  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -2.928   1.290   1.365  0.00  0.00    +0.029 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -5.701  -0.524  -0.527  0.00  0.00    -0.016 A 
ATOM     30  C   LIG    1       -5.848  -1.919  -0.558  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -6.620  -2.533  -1.546  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -7.260  -1.760  -2.513  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.127  -0.374  -2.493  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -6.354   0.240  -1.506  0.00  0.00    +0.008 A 
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH   3  20
TORSDOF 5