REMARK  Name = BDB028820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.516   1.797   0.678  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        3.523   1.164   0.334  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        2.467   1.780  -0.288  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1        2.570   2.773  -0.453  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1        1.234   1.248  -0.599  0.00  0.00    +0.233 C 
ATOM      6  O   LIG    1        0.348   1.990  -1.017  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1        1.050  -0.240  -0.302  0.00  0.00    +0.138 C 
ATOM      8  C   LIG    1        2.399  -0.959  -0.347  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1        3.356  -0.304   0.637  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1       -0.049  -1.027  -1.542  0.00  0.00    -0.112 S 
BRANCH  10  11
ATOM     11  C   LIG    1       -1.637  -0.668  -0.816  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -2.414   0.383  -1.311  0.00  0.00    +0.056 A 
ATOM     13  C   LIG    1       -3.660   0.642  -0.749  0.00  0.00    +0.159 A 
ATOM     14  F   LIG    1       -4.399   1.655  -1.224  0.00  0.00    -0.202 F 
ATOM     15  C   LIG    1       -4.141  -0.141   0.294  0.00  0.00    +0.158 A 
ATOM     16  F   LIG    1       -5.342   0.112   0.831  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -3.382  -1.196   0.788  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -2.129  -1.463   0.230  0.00  0.00    +0.018 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2