REMARK  Name = BDB062133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.092  -1.681  -0.688  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.413  -1.252  -0.615  0.00  0.00    +0.076 A 
ATOM      3  N   LIG    1       -2.117  -2.293  -1.187  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -3.537  -2.350  -1.437  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -1.230  -3.269  -1.541  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        0.004  -2.927  -1.256  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        1.653  -0.455  -2.689  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        1.903  -0.308  -1.212  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1        1.074  -0.928  -0.250  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        1.381  -0.811   1.125  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1        0.556  -1.478   2.193  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        2.478  -0.026   1.520  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        3.296   0.608   0.577  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        3.003   0.452  -0.784  0.00  0.00    +0.009 A 
BRANCH  13  15
ATOM     15  C   LIG    1        4.479   1.434   1.011  0.00  0.00    +0.113 C 
BRANCH  15  16
ATOM     16  N   LIG    1        4.299   2.841   0.673  0.00  0.00    -0.326 NA
ATOM     17  H   LIG    1        5.056   3.382   1.084  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1        3.438   3.174   1.103  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -2.001  -0.014  -0.112  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -1.629   1.219  -0.658  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -2.182   2.398  -0.162  0.00  0.00    +0.141 A 
ATOM     22  F   LIG    1       -1.809   3.563  -0.711  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1       -3.105   2.375   0.880  0.00  0.00    +0.087 A 
ATOM     24  C   LIG    1       -3.478   1.147   1.435  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1       -2.927  -0.041   0.941  0.00  0.00    +0.011 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -3.662   3.593   1.380  0.00  0.00    +0.102 C 
ATOM     27  N   LIG    1       -4.140   4.560   1.810  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH   2  19
TORSDOF 5