REMARK  Name = BDB039793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.868   0.258  -1.496  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1        1.993   0.250  -0.651  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1        1.898  -0.094   0.295  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.951   0.427  -2.703  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -4.847  -0.666  -0.046  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -3.886  -0.508  -1.061  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1       -2.558  -0.302  -0.682  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1       -2.116  -0.257   0.628  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -0.716  -0.033   0.558  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1       -0.380   0.045  -0.786  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1       -3.058  -0.430   1.651  0.00  0.00    +0.013 A 
ATOM     12  O   LIG    1       -1.517  -0.116  -1.536  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1       -4.403  -0.635   1.292  0.00  0.00    +0.024 A 
BRANCH   5  15
ATOM     14  C   LIG    1       -6.593  -1.216  -1.693  0.00  0.00    +0.129 C 
ATOM     15  N   LIG    1       -6.212  -0.887  -0.318  0.00  0.00    -0.336 N 
ATOM     16  C   LIG    1       -7.119   0.054   0.348  0.00  0.00    +0.129 C 
ENDBRANCH   5  15
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  S   LIG    1        3.535   0.309  -1.269  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1        3.688   1.643  -1.800  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1        3.791  -0.886  -2.036  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.622   0.198   0.151  0.00  0.00    +0.138 A 
ATOM     21  C   LIG    1        5.817   0.962   0.182  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1        6.610   0.931   1.349  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        6.268   0.132   2.435  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        5.133  -0.666   2.367  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        4.313  -0.645   1.231  0.00  0.00    +0.068 A 
ATOM     26 CL   LIG    1        2.970  -1.735   1.278  0.00  0.00    -0.082 Cl
BRANCH  21  27
ATOM     27  C   LIG    1        6.328   1.788  -0.984  0.00  0.00    +0.419 C 
ATOM     28  F   LIG    1        7.670   2.034  -0.877  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        6.189   1.178  -2.187  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        5.756   3.016  -1.057  0.00  0.00    -0.166 F 
ENDBRANCH  21  27
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 5