REMARK  Name = BDB012669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.415  -0.112   0.526  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        0.297  -1.295   0.895  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.646  -0.983   0.727  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.675  -1.900   0.992  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        2.305  -3.171   1.441  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.966  -3.497   1.613  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1        0.642  -4.724   2.045  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.651   0.315   0.281  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1       -0.053  -2.583   1.349  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.424   0.858   0.161  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -1.769  -0.052   0.568  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.266  -0.890   0.875  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1       -4.077   0.804   0.382  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -2.682   0.980   0.254  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -2.284   2.240  -0.200  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -3.120   3.266  -0.515  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1       -4.437   3.046  -0.375  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -4.959   1.848   0.064  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -5.927  -0.622   0.969  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1       -4.727  -0.451   0.847  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.872  -1.450   1.144  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -4.478  -2.173   1.423  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  C   LIG    1        2.815   1.128  -0.052  0.00  0.00    +0.147 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.120   1.087  -1.520  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        4.484   1.490  -2.022  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        4.051   0.052  -2.101  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6