REMARK  Name = BDB042743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.851  -1.562  -2.436  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1        0.034  -1.128  -1.212  0.00  0.00    +0.081 C 
ATOM      3  C   LIG    1        0.520   0.230  -0.648  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1       -0.448   0.784   0.400  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -1.841   0.316   0.350  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -2.741   0.830   1.279  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -2.254   1.799   2.270  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1       -0.932   2.158   2.164  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1       -0.575   2.833   2.833  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1       -3.001   2.259   3.127  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -4.082   0.452   1.245  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -4.502  -0.421   0.251  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1       -5.792  -0.774   0.185  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -3.607  -0.929  -0.691  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -2.250  -0.594  -0.631  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1       -0.040   1.681   1.251  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1       -1.376  -1.052  -1.631  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1       -1.705  -1.921  -2.052  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1        1.968   0.186  -0.157  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1        2.401  -0.538   0.970  0.00  0.00    +0.045 A 
ATOM     21 CL   LIG    1        1.326  -1.469   1.954  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        3.749  -0.532   1.346  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.685   0.194   0.611  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.275   0.919  -0.502  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        2.932   0.917  -0.882  0.00  0.00    +0.006 A 
ENDBRANCH   3  19
TORSDOF 1