REMARK  Name = BDB046973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.074   1.371   0.125  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -1.501   1.291   0.076  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.862  -0.064   0.041  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -3.217  -0.459  -0.038  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.712  -1.857  -0.116  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -2.940  -2.916   0.276  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -3.445  -3.795   0.241  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -1.670  -2.873   0.959  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -0.587  -2.232   0.110  0.00  0.00    +0.141 C 
ATOM     10  O   LIG    1       -4.848  -2.090  -0.525  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -4.192   0.558  -0.081  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -3.850   1.903  -0.036  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.679  -0.780   0.088  0.00  0.00    -0.337 N 
ATOM     14  C   LIG    1       -2.511   2.278   0.042  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        0.410   0.070   0.120  0.00  0.00    +0.055 A 
ENDROOT
BRANCH  15  16
ATOM     16  C   LIG    1        1.802  -0.373   0.116  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        2.427  -0.712  -1.091  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.761  -1.122  -1.098  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.463  -1.188   0.100  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        5.743  -1.583   0.093  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.859  -0.849   1.305  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        2.525  -0.438   1.315  0.00  0.00    +0.013 A 
ENDBRANCH  15  16
BRANCH   1  23
ATOM     23  C   LIG    1        0.745   2.620   0.150  0.00  0.00    +0.161 C 
BRANCH  23  24
ATOM     24  N   LIG    1        1.285   2.829  -1.192  0.00  0.00    -0.247 N 
ATOM     25  H   LIG    1        0.525   2.995  -1.845  0.00  0.00    +0.170 HD
BRANCH  24  28
ATOM     26  N   LIG    1        3.318   3.365  -1.099  0.00  0.00    -0.188 NA
ATOM     27  H   LIG    1        3.269   2.349  -0.962  0.00  0.00    +0.213 HD
ATOM     28  N   LIG    1        2.190   3.832  -1.315  0.00  0.00    -0.089 NA
ENDBRANCH  24  28
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 4