REMARK  Name = BDB029964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.961  -2.053  -0.488  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.217  -1.770  -1.154  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.564  -2.570  -1.681  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.433  -3.185  -0.468  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.569   0.488   0.436  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1       -2.897  -0.530  -0.250  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -1.651  -0.965   0.209  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -1.085  -0.427   1.360  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.092  -0.893   1.811  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -1.748   0.589   2.040  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -1.067   1.274   3.466  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -2.983   1.054   1.578  0.00  0.00    +0.031 A 
BRANCH   5  15
ATOM     13  C   LIG    1       -6.207  -1.274  -0.233  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -5.958   0.185  -0.306  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -4.852   0.970  -0.030  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -5.291   2.293  -0.266  0.00  0.00    +0.143 A 
ATOM     17  N   LIG    1       -6.558   2.346  -0.679  0.00  0.00    -0.181 NA
ATOM     18  N   LIG    1       -6.938   1.059  -0.699  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -7.889   0.847  -0.982  0.00  0.00    +0.189 HD
ENDBRANCH   5  15
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        0.388  -0.425  -1.824  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        0.490  -0.446  -2.846  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        1.444   0.736  -1.172  0.00  0.00    +0.045 S 
ATOM     23  O   LIG    1        2.038   1.374  -2.327  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        0.708   1.493  -0.185  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        2.700  -0.258  -0.353  0.00  0.00    +0.190 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.749   0.601   0.372  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1        4.614  -0.264   1.309  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        5.907  -0.693   0.629  0.00  0.00    +0.160 C 
ATOM     29  O   LIG    1        6.719   0.408   0.223  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1        6.019   1.626  -0.028  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1        4.636   1.383  -0.613  0.00  0.00    +0.033 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6