REMARK  Name = BDB029750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.881  -0.518  -0.637  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.001  -1.583  -0.648  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.225  -2.454  -0.159  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.510   0.628  -0.892  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.557   0.104   0.022  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.201   0.290  -0.289  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.301  -0.791  -0.295  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.769  -2.067   0.016  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.928  -3.114   0.023  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.113  -2.266   0.324  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.694  -3.843   0.705  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.002  -1.191   0.327  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.781   2.418   0.326  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.356   2.264   0.161  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.815   1.036   0.214  0.00  0.00    -0.171 NA
ATOM     16  C   LIG    1        5.498   1.231   0.029  0.00  0.00    +0.093 A 
ATOM     17  C   LIG    1        5.228   2.618  -0.141  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        6.445   3.250  -0.051  0.00  0.00    +0.108 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.491  -1.209  -0.636  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.592  -0.193  -0.795  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.284  -1.631   0.819  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.411  -0.418   1.593  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.579  -2.784   1.343  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.879  -2.171   0.209  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.929  -1.095  -0.088  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -4.462   0.014  -1.034  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.623   0.915  -1.468  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -6.701   1.086  -0.396  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -6.149   0.883   1.008  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -5.571  -0.523   1.192  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6