REMARK  Name = BDB057678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.833   1.577  -0.275  0.00  0.00    -0.221 N 
ATOM      2  C   LIG    1       -0.784   1.610   0.608  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1       -0.895   1.867   1.803  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1        0.538   1.284  -0.053  0.00  0.00    +0.146 C 
ATOM      5  S   LIG    1        0.143   1.026  -1.813  0.00  0.00    -0.054 S 
ATOM      6  C   LIG    1       -1.571   1.220  -1.563  0.00  0.00    +0.282 C 
ATOM      7  O   LIG    1       -2.392   1.049  -2.450  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -3.203   1.726   0.184  0.00  0.00    +0.237 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.727   0.365   0.613  0.00  0.00    +0.325 C 
ATOM     10  O   LIG    1       -3.068  -0.668   0.637  0.00  0.00    -0.249 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -5.038   0.473   0.972  0.00  0.00    -0.464 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -6.209  -1.505   0.208  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -5.670  -0.742   1.403  0.00  0.00    +0.229 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   4  14
ATOM     14  C   LIG    1        1.155   0.047   0.608  0.00  0.00    +0.059 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.581  -0.216   0.181  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.631   0.539   0.719  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.949   0.307   0.318  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        5.242  -0.690  -0.625  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        4.188  -1.438  -1.167  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        2.871  -1.206  -0.765  0.00  0.00    +0.004 A 
BRANCH  18  21
ATOM     21  C   LIG    1        6.663  -0.924  -1.074  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1        6.895  -2.205  -1.477  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        7.581  -0.672  -0.099  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        7.011  -0.133  -2.126  0.00  0.00    -0.166 F 
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 7