REMARK  Name = BDB029782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.605   0.459  -0.299  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.432   0.441  -1.215  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.319  -0.010  -2.128  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.396   0.664   0.896  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.372   0.035  -0.302  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -3.048   0.263   0.117  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.983   0.209  -0.799  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -2.256  -0.075  -2.137  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.258  -0.139  -3.034  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.567  -0.302  -2.557  0.00  0.00    +0.079 A 
ATOM     11 CL   LIG    1       -3.901  -0.652  -4.211  0.00  0.00    -0.080 Cl
ATOM     12  C   LIG    1       -4.628  -0.249  -1.649  0.00  0.00    +0.050 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -8.854  -0.050   1.962  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1       -7.410   0.065   1.661  0.00  0.00    -0.013 A 
ATOM     15  C   LIG    1       -6.778  -0.100   0.447  0.00  0.00    +0.117 A 
ATOM     16  N   LIG    1       -5.429   0.098   0.651  0.00  0.00    -0.240 N 
ATOM     17  N   LIG    1       -5.170   0.385   1.950  0.00  0.00    -0.175 NA
ATOM     18  C   LIG    1       -6.360   0.361   2.549  0.00  0.00    +0.138 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.841   0.340  -0.616  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.785   0.447   0.411  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.632  -1.129  -0.986  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        2.519  -1.974   0.180  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.128  -1.556  -2.276  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.324  -0.575  -1.186  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.950   0.042   0.071  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1        5.462  -1.025   1.054  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        6.227  -0.385   2.207  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        7.302   0.413   1.716  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        6.842   1.492   0.905  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        6.119   0.960  -0.326  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6