REMARK  Name = BDB042746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.257  -2.119  -0.918  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1        0.110  -0.734  -1.561  0.00  0.00    +0.081 C 
ATOM      3  C   LIG    1        0.571   0.455  -0.685  0.00  0.00    +0.090 C 
ATOM      4  C   LIG    1       -0.413   0.712   0.457  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -1.825   0.370   0.209  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -2.761   0.692   1.186  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -2.294   1.307   2.435  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1       -0.941   1.536   2.525  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1       -0.599   1.980   3.373  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1       -3.077   1.591   3.334  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -4.115   0.437   0.974  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -4.505  -0.125  -0.234  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1       -5.804  -0.356  -0.464  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -3.570  -0.454  -1.215  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -2.205  -0.246  -0.990  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1       -0.016   1.280   1.559  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1       -1.281  -0.538  -2.003  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1       -1.606  -1.259  -2.647  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1        2.043   0.354  -0.292  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1        2.472  -0.345   0.847  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        3.829  -0.433   1.154  0.00  0.00    +0.142 A 
ATOM     22  F   LIG    1        4.197  -1.113   2.251  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        4.782   0.165   0.336  0.00  0.00    +0.076 A 
ATOM     24 CL   LIG    1        6.459   0.053   0.708  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1        4.377   0.858  -0.803  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        3.016   0.949  -1.116  0.00  0.00    +0.006 A 
ENDBRANCH   3  19
TORSDOF 1