REMARK  Name = BDB029873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.394  -0.429   1.448  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.054  -1.577   1.862  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.698  -2.483   1.549  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.931   0.676   1.436  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.624  -3.280   0.360  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        2.977  -1.932   0.471  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        1.651  -1.822   0.903  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1        0.994  -2.947   1.230  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1        1.016  -0.582   0.989  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        1.730   0.569   0.623  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.058   0.490   0.173  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.669  -0.771   0.098  0.00  0.00    +0.016 A 
BRANCH  11  13
ATOM     13  C   LIG    1        3.757   1.711  -0.201  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        3.213   2.966  -0.032  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        4.114   3.810  -0.479  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        5.221   3.155  -0.931  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        6.394   3.779  -1.486  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        5.014   1.814  -0.763  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1       -2.552  -1.493   1.982  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -2.969  -1.726   2.886  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.456  -2.017   0.655  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -4.641  -2.646   1.198  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.555  -2.745  -0.217  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.913  -0.466  -0.127  0.00  0.00    +0.154 C 
ATOM     25  C   LIG    1       -4.611   0.487   0.850  0.00  0.00    +0.056 C 
ATOM     26  C   LIG    1       -5.655   1.350   0.154  0.00  0.00    +0.161 C 
ATOM     27  O   LIG    1       -5.211   1.686  -1.154  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -5.176   0.566  -2.037  0.00  0.00    +0.161 C 
ATOM     29  C   LIG    1       -4.790  -0.737  -1.347  0.00  0.00    +0.056 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5