REMARK  Name = BDB023140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.899  -2.346   0.014  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -2.154  -1.894   0.882  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.661  -2.106  -0.594  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.442  -2.382  -1.765  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.294  -1.465   0.290  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.480  -1.039  -0.255  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.212  -0.466   0.737  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.515  -0.513   1.933  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.129   0.035   3.064  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        3.401   0.607   2.960  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.082   0.651   1.734  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        1.508   0.017   4.252  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.481   0.093   0.591  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.284  -1.159   1.643  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.372   1.220   1.653  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.014   1.760   0.487  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.023   2.402   1.444  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        5.941   2.219   2.513  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.235  -2.888  -0.818  0.00  0.00    +0.080 S 
ATOM     20  O   LIG    1       -2.909  -4.226  -1.254  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -4.359  -2.654   0.068  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -3.238  -0.406  -1.994  0.00  0.00    +0.149 A 
ATOM     23  C   LIG    1       -3.437  -1.787  -2.189  0.00  0.00    +0.168 A 
ATOM     24  C   LIG    1       -3.806  -2.257  -3.455  0.00  0.00    +0.071 A 
ATOM     25 CL   LIG    1       -4.253  -3.885  -3.817  0.00  0.00    -0.081 Cl
ATOM     26  C   LIG    1       -3.897  -1.359  -4.529  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -3.631  -0.005  -4.349  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.303   0.471  -3.084  0.00  0.00    +0.048 A 
BRANCH  22  29
ATOM     29  O   LIG    1       -2.907   0.058  -0.747  0.00  0.00    -0.487 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -4.318   0.830   1.018  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -3.634   1.212  -0.291  0.00  0.00    +0.167 C 
ATOM     32  C   LIG    1       -2.635   2.339  -0.059  0.00  0.00    +0.051 C 
ENDBRANCH  29  31
ENDBRANCH  22  29
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6