REMARK  Name = BDB059360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.261   0.366  -0.654  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.890   0.440   0.108  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.964  -0.003   1.022  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.275   0.653  -1.849  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.931   0.056   0.173  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -2.727   0.427  -0.433  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -1.501  -0.065   0.039  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -1.484  -0.958   1.113  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.688  -1.319   1.707  0.00  0.00    +0.128 A 
ATOM     10  F   LIG    1       -2.675  -2.173   2.739  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -3.907  -0.820   1.255  0.00  0.00    +0.084 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -5.046   0.619  -0.381  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -7.392   0.968  -0.610  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -6.309   0.247   0.172  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        2.204   0.490  -0.679  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        2.022   0.675  -1.679  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.136  -0.940  -0.548  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        3.281  -1.456  -1.892  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        2.576  -1.746   0.518  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.691  -0.316  -0.022  0.00  0.00    +0.142 A 
ATOM     21  C   LIG    1        4.782   0.293   1.223  0.00  0.00    +0.150 A 
ATOM     22  F   LIG    1        3.708   0.428   2.013  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        6.005   0.786   1.672  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        7.140   0.665   0.869  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        7.049   0.049  -0.382  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.823  -0.445  -0.832  0.00  0.00    +0.031 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6