REMARK  Name = BDB059027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.969   2.059  -0.644  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        0.410   3.270  -1.016  0.00  0.00    +0.181 A 
ATOM      3  F   LIG    1        1.156   4.268  -1.511  0.00  0.00    -0.200 F 
ATOM      4  C   LIG    1       -0.937   3.416  -0.831  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1       -1.714   2.445  -0.324  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.128   1.275  -0.008  0.00  0.00    +0.220 A 
ATOM      7  N   LIG    1        0.194   1.066  -0.161  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        2.364   1.895  -0.857  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1        2.823   2.799  -0.926  0.00  0.00    +0.154 HD
BRANCH   8  14
ATOM     10  C   LIG    1        5.155  -1.222  -0.105  0.00  0.00    +0.138 A 
ATOM     11  C   LIG    1        3.795  -1.414   0.171  0.00  0.00    +0.084 A 
ATOM     12 CL   LIG    1        3.208  -2.918   0.800  0.00  0.00    -0.080 Cl
ATOM     13  C   LIG    1        2.861  -0.395  -0.057  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        3.252   0.849  -0.549  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        4.613   1.024  -0.847  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        5.555   0.010  -0.622  0.00  0.00    +0.049 A 
BRANCH  10  18
ATOM     17  C   LIG    1        7.379  -2.094  -0.134  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        5.998  -2.271   0.150  0.00  0.00    -0.494 OA
ENDBRANCH  10  18
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   6  19
ATOM     19  N   LIG    1       -1.953   0.253   0.465  0.00  0.00    -0.299 N 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.826   0.704   1.561  0.00  0.00    +0.111 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.286   0.278   1.322  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -4.907   1.035   0.146  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -5.115   0.517   2.586  0.00  0.00    +0.009 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
BRANCH  19  24
ATOM     24  C   LIG    1       -1.356  -1.082   0.608  0.00  0.00    +0.111 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.482  -1.963  -0.655  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -0.730  -1.436  -1.875  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -2.939  -2.246  -1.024  0.00  0.00    +0.009 C 
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH   6  19
TORSDOF 8