REMARK  Name = BDB041477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.647  -0.599  -2.966  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.601   0.351  -3.305  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.214  -1.127  -1.998  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1        0.086  -2.245  -1.523  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.333  -0.244  -1.558  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.435  -0.844  -0.930  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        3.539  -0.089  -0.474  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1        3.516   1.316  -0.640  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1        2.401   1.908  -1.270  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        1.324   1.141  -1.723  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        4.673  -0.841   0.206  0.00  0.00    +0.418 C 
ATOM     12  F   LIG    1        4.548  -0.866   1.557  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        4.730  -2.150  -0.179  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        5.904  -0.340  -0.077  0.00  0.00    -0.166 F 
ENDBRANCH   7  11
BRANCH   8  15
ATOM     15  C   LIG    1        4.616   2.234  -0.142  0.00  0.00    +0.179 C 
BRANCH  15  16
ATOM     16  N   LIG    1        4.511   2.478   1.289  0.00  0.00    -0.267 N 
ATOM     17  N   LIG    1        5.428   1.958   2.127  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        5.037   2.380   3.331  0.00  0.00    +0.134 A 
ATOM     19  C   LIG    1        3.889   3.191   3.266  0.00  0.00    +0.041 A 
ATOM     20  C   LIG    1        3.578   3.248   1.928  0.00  0.00    +0.108 A 
ENDBRANCH  15  16
ENDBRANCH   8  15
ENDBRANCH   3   5
BRANCH   1  21
ATOM     21  S   LIG    1       -2.111  -1.317  -3.364  0.00  0.00    +0.096 S 
ATOM     22  O   LIG    1       -1.816  -2.630  -3.899  0.00  0.00    -0.148 OA
ATOM     23  O   LIG    1       -2.803  -0.321  -4.162  0.00  0.00    -0.148 OA
BRANCH  21  25
ATOM     24  C   LIG    1       -3.844  -2.459  -1.530  0.00  0.00    +0.165 A 
ATOM     25  C   LIG    1       -2.954  -1.439  -1.798  0.00  0.00    +0.239 A 
ATOM     26  N   LIG    1       -2.580  -0.469  -0.903  0.00  0.00    -0.228 NA
ATOM     27  C   LIG    1       -3.138  -0.504   0.333  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -4.057  -1.500   0.675  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1       -4.419  -2.470  -0.266  0.00  0.00    +0.051 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -2.658   0.561   1.325  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -3.608   0.769   2.522  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1       -2.517   1.921   0.607  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -1.278   0.134   1.860  0.00  0.00    +0.017 C 
ENDBRANCH  27  30
BRANCH  24  35
ATOM     34  C   LIG    1       -3.673  -4.655  -2.193  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -4.231  -3.367  -2.467  0.00  0.00    -0.492 OA
ENDBRANCH  24  35
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 8