REMARK  Name = BDB059280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.426   0.368  -0.933  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.621   0.296  -0.031  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.516  -0.172   0.868  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.255   0.669  -2.112  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.163   0.528  -0.493  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.866   0.769  -0.949  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.781   0.075  -0.403  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -1.997  -0.888   0.590  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -3.293  -1.128   1.064  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1       -3.536  -2.186   2.102  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.372  -0.419   0.512  0.00  0.00    +0.049 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -5.129   1.278  -1.105  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -7.369   1.964  -1.538  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -6.482   1.046  -0.716  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        2.024   0.181  -0.650  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        1.961   0.277  -1.678  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.793  -1.317  -0.300  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        2.125  -1.850   0.872  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        2.849  -2.024  -1.559  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.420  -0.849   0.166  0.00  0.00    +0.142 A 
ATOM     21  C   LIG    1        5.384  -1.845   0.227  0.00  0.00    +0.150 A 
ATOM     22  F   LIG    1        5.079  -3.122  -0.036  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        6.692  -1.534   0.585  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        7.036  -0.214   0.881  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        6.073   0.803   0.813  0.00  0.00    -0.048 A 
ATOM     26  C   LIG    1        6.437   2.216   1.169  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        4.754   0.477   0.466  0.00  0.00    +0.035 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6