REMARK  Name = BDB029974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.312  -0.147  -0.036  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -1.248   0.134  -0.906  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.071   0.214  -0.429  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        0.323   0.044   0.930  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1        1.573   0.154   1.413  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -0.725  -0.239   1.803  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -0.415  -0.471   3.482  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -2.032  -0.338   1.327  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  13
ATOM      9  N   LIG    1       -5.794  -0.615  -0.484  0.00  0.00    -0.266 N 
ATOM     10  C   LIG    1       -5.555  -0.189  -1.766  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -6.596  -0.067  -2.814  0.00  0.00    +0.065 C 
ATOM     12  C   LIG    1       -4.203   0.075  -1.812  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.692  -0.242  -0.526  0.00  0.00    +0.093 A 
ATOM     14  N   LIG    1       -4.679  -0.682   0.266  0.00  0.00    -0.171 NA
BRANCH   9  15
ATOM     15  C   LIG    1       -7.062  -1.044   0.088  0.00  0.00    +0.171 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -7.906   0.126   0.584  0.00  0.00    +0.182 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -8.231   1.626   2.379  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1       -7.516   0.493   1.909  0.00  0.00    -0.381 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   1  13
BRANCH   3  19
ATOM     19  C   LIG    1        1.138   0.545  -1.399  0.00  0.00    +0.262 C 
ATOM     20  N   LIG    1        2.397  -0.006  -1.266  0.00  0.00    -0.228 N 
ATOM     21  H   LIG    1        2.977   0.125  -2.101  0.00  0.00    +0.171 HD
ATOM     22  O   LIG    1        0.885   1.312  -2.325  0.00  0.00    -0.269 OA
BRANCH  20  23
ATOM     23  N   LIG    1        2.587  -1.353  -0.594  0.00  0.00    -0.112 NA
ATOM     24  H   LIG    1        2.500  -1.365   0.429  0.00  0.00    +0.171 HD
BRANCH  23  25
ATOM     25  S   LIG    1        3.872  -2.300  -1.181  0.00  0.00    +0.045 S 
ATOM     26  O   LIG    1        3.481  -3.682  -1.015  0.00  0.00    -0.157 OA
ATOM     27  O   LIG    1        4.237  -1.769  -2.477  0.00  0.00    -0.157 OA
BRANCH  25  28
ATOM     28  C   LIG    1        5.181  -1.958  -0.004  0.00  0.00    +0.190 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.476  -0.479   0.281  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        6.369  -0.379   1.533  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1        6.737   1.065   1.864  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        7.398   1.758   0.680  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        6.528   1.674  -0.568  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1        6.152   0.231  -0.903  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   3  19
TORSDOF 9