REMARK  Name = BDB059341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.890   2.424  -1.408  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        1.171   1.505  -0.642  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.203   0.829   0.079  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.386  -0.065   0.532  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.583   1.084  -0.440  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.941  -0.230  -0.108  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        4.293  -0.577   0.074  0.00  0.00    +0.056 A 
ATOM      8  C   LIG    1        5.279   0.405  -0.105  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        4.927   1.709  -0.454  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.584   2.046  -0.624  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        4.678  -1.998   0.412  0.00  0.00    +0.417 C 
ATOM     12  F   LIG    1        4.809  -2.776  -0.695  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        3.756  -2.617   1.202  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        5.860  -2.089   1.081  0.00  0.00    -0.166 F 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  15
ATOM     15  N   LIG    1       -1.240   1.002  -0.424  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1       -1.272   1.751  -1.135  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -1.887  -0.426  -1.118  0.00  0.00    +0.074 S 
ATOM     18  O   LIG    1       -1.162  -1.542  -0.540  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1       -1.949  -0.215  -2.547  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.530  -0.417  -0.461  0.00  0.00    +0.107 A 
ATOM     21  C   LIG    1       -4.586   0.069  -1.238  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -5.882   0.052  -0.721  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -6.117  -0.453   0.559  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.061  -0.948   1.326  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.763  -0.935   0.817  0.00  0.00    +0.028 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 5