REMARK  Name = BDB059028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.087   2.427  -0.128  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        0.699   3.732  -0.364  0.00  0.00    +0.181 A 
ATOM      3  F   LIG    1        1.589   4.724  -0.496  0.00  0.00    -0.200 F 
ATOM      4  C   LIG    1       -0.646   3.970  -0.440  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1       -1.574   3.006  -0.297  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.140   1.751  -0.074  0.00  0.00    +0.220 A 
ATOM      7  N   LIG    1        0.169   1.450   0.012  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1       -2.076   0.733   0.039  0.00  0.00    -0.299 N 
ATOM      9  C   LIG    1       -3.442   1.162   0.336  0.00  0.00    +0.111 C 
ATOM     10  C   LIG    1       -4.331  -0.025   0.755  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1       -5.810   0.343   0.649  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1       -4.004  -1.253  -0.097  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1       -2.533  -1.680   0.067  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -2.002  -2.260  -1.247  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -1.628  -0.542   0.582  0.00  0.00    +0.111 C 
ENDBRANCH   6   8
BRANCH   1  16
ATOM     16  N   LIG    1        2.477   2.141  -0.077  0.00  0.00    -0.297 N 
ATOM     17  H   LIG    1        2.969   2.894   0.395  0.00  0.00    +0.154 HD
BRANCH  16  22
ATOM     18  C   LIG    1        4.569  -1.548   0.193  0.00  0.00    +0.138 A 
ATOM     19  C   LIG    1        3.276  -1.506  -0.347  0.00  0.00    +0.084 A 
ATOM     20 CL   LIG    1        2.495  -2.940  -0.925  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1        2.574  -0.298  -0.442  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        3.130   0.897   0.023  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        4.436   0.853   0.532  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        5.145  -0.353   0.626  0.00  0.00    +0.049 A 
BRANCH  18  26
ATOM     25  C   LIG    1        6.490  -2.833   0.798  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        5.181  -2.772   0.248  0.00  0.00    -0.494 OA
ENDBRANCH  18  26
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 4