REMARK  Name = BDB015337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.709   2.799   3.230  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.229   1.662   2.465  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1       -0.521   0.616   3.129  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.655   0.900   1.713  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        2.853   1.612   1.606  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        3.970   0.999   1.034  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        3.910  -0.330   0.586  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        2.705  -1.036   0.724  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.583  -0.430   1.294  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        5.084  -0.969  -0.022  0.00  0.00    -0.006 A 
ATOM     11  C   LIG    1        6.074  -1.624   0.744  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1        7.174  -2.212   0.087  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        7.295  -2.158  -1.301  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.321  -1.516  -2.056  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.226  -0.927  -1.422  0.00  0.00    +0.009 A 
BRANCH  11  16
ATOM     16  C   LIG    1        5.981  -1.706   2.252  0.00  0.00    +0.418 C 
ATOM     17  F   LIG    1        4.849  -2.326   2.686  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        7.011  -2.406   2.813  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        6.009  -0.485   2.854  0.00  0.00    -0.166 F 
ENDBRANCH  11  16
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  20
ATOM     20  N   LIG    1       -0.621   2.267   1.140  0.00  0.00    -0.172 N 
ATOM     21  C   LIG    1       -1.192   1.525   0.091  0.00  0.00    +0.201 C 
ATOM     22  N   LIG    1       -1.256   2.151  -1.041  0.00  0.00    -0.253 NA
ATOM     23  C   LIG    1       -0.761   3.526  -0.794  0.00  0.00    +0.166 C 
ATOM     24  C   LIG    1       -0.127   3.539   0.593  0.00  0.00    +0.158 C 
BRANCH  21  25
ATOM     25  N   LIG    1       -1.602   0.245   0.330  0.00  0.00    -0.300 N 
ATOM     26  C   LIG    1       -2.755   0.055   1.241  0.00  0.00    +0.123 C 
ATOM     27  C   LIG    1       -4.094   0.179   0.478  0.00  0.00    +0.103 C 
ATOM     28  N   LIG    1       -4.193  -0.774  -0.654  0.00  0.00    -0.296 NA
ATOM     29  C   LIG    1       -3.039  -0.545  -1.560  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1       -1.691  -0.676  -0.821  0.00  0.00    +0.123 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -5.445  -0.531  -1.389  0.00  0.00    +0.057 C 
ATOM     32  C   LIG    1       -6.652  -1.066  -0.571  0.00  0.00    +0.019 C 
ATOM     33  C   LIG    1       -7.189  -1.639  -1.900  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1       -5.721  -1.703  -2.369  0.00  0.00    +0.019 C 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   2  20
TORSDOF 6