REMARK  Name = BDB059388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.069   0.087  -0.679  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.089   0.827  -0.516  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.120   1.591   0.164  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.050  -1.034  -1.187  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.758   0.469   0.027  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.533  -0.046  -0.399  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -1.346   0.683  -0.205  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -1.408   1.930   0.418  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1       -0.299   2.654   0.629  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -2.624   2.455   0.841  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.795   1.725   0.642  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -4.979  -0.128  -0.104  0.00  0.00    -0.489 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -6.314  -2.085   0.057  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1       -5.055  -1.482  -0.563  0.00  0.00    +0.167 C 
ATOM     15  C   LIG    1       -5.160  -1.509  -2.085  0.00  0.00    +0.051 C 
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1        2.403   0.043  -0.672  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        2.203  -0.890  -1.068  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.246  -0.180   0.804  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1        3.105  -1.574   1.165  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        2.846   0.887   1.699  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.916   0.114   0.292  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1        5.367   1.431   0.155  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        6.687   1.667  -0.229  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        7.548   0.594  -0.465  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.096  -0.719  -0.315  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.777  -0.964   0.068  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 6