REMARK  Name = BDB015359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.733  -3.671   1.988  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.250  -2.437   1.398  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1       -0.717  -1.631   2.112  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.670  -1.403   1.093  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        2.957  -1.939   1.171  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        4.061  -1.114   0.939  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        3.899   0.251   0.640  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        2.593   0.769   0.590  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.483  -0.047   0.823  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        5.065   1.115   0.392  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1        6.118   1.191   1.316  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        7.215   2.012   1.068  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1        8.208   2.071   1.965  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        7.297   2.772  -0.091  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        6.263   2.710  -1.021  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        5.157   1.888  -0.780  0.00  0.00    +0.009 A 
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  17
ATOM     17  N   LIG    1       -0.289  -2.792  -0.167  0.00  0.00    -0.172 N 
ATOM     18  C   LIG    1       -0.739  -1.830  -1.094  0.00  0.00    +0.201 C 
ATOM     19  N   LIG    1       -0.210  -1.929  -2.273  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1        0.756  -3.049  -2.220  0.00  0.00    +0.166 C 
ATOM     21  C   LIG    1        0.522  -3.780  -0.903  0.00  0.00    +0.158 C 
BRANCH  18  22
ATOM     22  N   LIG    1       -1.681  -0.912  -0.721  0.00  0.00    -0.300 N 
ATOM     23  C   LIG    1       -2.826  -1.299   0.128  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1       -4.175  -0.994  -0.558  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -4.360   0.421  -0.939  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1       -3.079   1.119  -1.135  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -1.973   0.184  -1.667  0.00  0.00    +0.123 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.374   1.070  -0.102  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1       -4.934   1.334   1.356  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -5.710   2.669   1.247  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -5.467   2.602  -0.281  0.00  0.00    +0.019 C 
ENDBRANCH  25  28
ENDBRANCH  18  22
ENDBRANCH   2  17
TORSDOF 5