REMARK  Name = BDB049334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.286  -0.804   0.526  0.00  0.00    +0.155 C 
ATOM      2  N   LIG    1        0.202  -1.661  -0.015  0.00  0.00    -0.287 NA
ATOM      3  C   LIG    1        0.385  -3.075   0.275  0.00  0.00    +0.106 C 
ATOM      4  C   LIG    1       -1.087  -1.005   0.367  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -1.375  -1.150   1.902  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -2.865  -1.074   2.243  0.00  0.00    +0.002 C 
ATOM      7  C   LIG    1       -3.654  -2.215   1.608  0.00  0.00    +0.000 C 
ATOM      8  C   LIG    1       -3.057  -2.695   0.289  0.00  0.00    +0.002 C 
ATOM      9  C   LIG    1       -2.293  -1.586  -0.436  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1       -0.728   0.479  -0.065  0.00  0.00    +0.101 C 
ATOM     11  C   LIG    1       -1.011   0.794  -1.544  0.00  0.00    -0.009 A 
ATOM     12  C   LIG    1       -1.896   1.866  -1.635  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -2.327   2.383  -2.839  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -1.835   1.784  -3.998  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1       -0.938   0.704  -3.934  0.00  0.00    +0.020 A 
ATOM     16 CL   LIG    1       -2.334   2.378  -5.535  0.00  0.00    -0.083 Cl
ATOM     17  N   LIG    1       -2.242   2.303  -0.371  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -2.845   3.086  -0.164  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1       -0.517   0.202  -2.699  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -1.602   1.574   0.620  0.00  0.00    +0.230 C 
ATOM     21  O   LIG    1       -1.719   1.806   1.812  0.00  0.00    -0.274 OA
ATOM     22  C   LIG    1        0.807   0.633   0.198  0.00  0.00    +0.069 C 
ENDROOT
BRANCH  22  23
ATOM     23  C   LIG    1        1.255   1.740   1.144  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1        1.426   3.035   0.622  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1        1.190   3.245  -0.684  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        1.826   4.102   1.427  0.00  0.00    +0.076 A 
ATOM     27 CL   LIG    1        2.026   5.678   0.762  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1        2.062   3.897   2.782  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        1.888   2.624   3.325  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        1.484   1.556   2.515  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
BRANCH   1  34
ATOM     31  C   LIG    1        5.196  -1.578  -2.431  0.00  0.00    +0.091 C 
ATOM     32  C   LIG    1        4.333  -1.381  -1.252  0.00  0.00    +0.169 A 
ATOM     33  N   LIG    1        2.982  -1.181  -1.351  0.00  0.00    -0.195 NA
ATOM     34  C   LIG    1        2.629  -1.056  -0.089  0.00  0.00    +0.245 A 
ATOM     35  O   LIG    1        3.679  -1.169   0.778  0.00  0.00    -0.336 OA
ATOM     36  N   LIG    1        4.814  -1.390  -0.002  0.00  0.00    -0.062 NA
ENDBRANCH   1  34
TORSDOF 2