REMARK  Name = BDB015344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.466   1.693   2.726  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.305   1.190   1.376  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1       -0.253   2.017   0.328  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.930   0.730   0.791  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        3.037   0.835   1.633  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        4.299   0.469   1.155  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        4.471   0.002  -0.161  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        3.338  -0.083  -0.991  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        2.073   0.281  -0.523  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        5.803  -0.380  -0.659  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        6.888   0.509  -0.579  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        8.164   0.157  -1.055  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        8.354  -1.116  -1.609  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        7.289  -2.010  -1.698  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.026  -1.644  -1.229  0.00  0.00    +0.008 A 
BRANCH  12  16
ATOM     16  C   LIG    1        9.313   1.127  -0.936  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1       10.313   0.891  -1.831  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        8.939   2.422  -1.131  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        9.896   1.087   0.295  0.00  0.00    -0.166 F 
ENDBRANCH  12  16
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  20
ATOM     20  N   LIG    1       -0.464  -0.316   1.456  0.00  0.00    -0.172 N 
ATOM     21  C   LIG    1       -1.856  -0.497   1.605  0.00  0.00    +0.201 C 
ATOM     22  N   LIG    1       -2.196  -1.548   2.286  0.00  0.00    -0.253 NA
ATOM     23  C   LIG    1       -0.947  -2.254   2.637  0.00  0.00    +0.166 C 
ATOM     24  C   LIG    1        0.207  -1.312   2.316  0.00  0.00    +0.158 C 
BRANCH  21  25
ATOM     25  N   LIG    1       -2.724   0.400   1.052  0.00  0.00    -0.300 N 
ATOM     26  C   LIG    1       -2.688   0.641  -0.406  0.00  0.00    +0.123 C 
ATOM     27  C   LIG    1       -3.984   0.147  -1.081  0.00  0.00    +0.103 C 
ATOM     28  N   LIG    1       -5.201   0.868  -0.625  0.00  0.00    -0.296 NA
ATOM     29  C   LIG    1       -5.028   1.336   0.774  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1       -4.085   0.468   1.628  0.00  0.00    +0.123 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -6.365  -0.025  -0.726  0.00  0.00    +0.057 C 
ATOM     32  C   LIG    1       -6.705  -0.290  -2.219  0.00  0.00    +0.019 C 
ATOM     33  C   LIG    1       -8.185  -0.086  -1.832  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1       -7.674   0.810  -0.683  0.00  0.00    +0.019 C 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   2  20
TORSDOF 6