REMARK  Name = BDB063245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.753  -0.032   0.583  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -0.751  -0.541  -0.176  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.507  -0.191   0.145  0.00  0.00    +0.241 A 
ATOM      4  N   LIG    1        0.780   0.623   1.183  0.00  0.00    -0.113 NA
ATOM      5  N   LIG    1       -0.223   1.109   1.966  0.00  0.00    -0.151 NA
ATOM      6  C   LIG    1       -1.486   0.774   1.664  0.00  0.00    +0.181 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.567  -2.550  -1.008  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -3.491  -1.527  -0.446  0.00  0.00    +0.113 A 
ATOM      9  N   LIG    1       -3.097  -0.387   0.257  0.00  0.00    -0.279 N 
ATOM     10  C   LIG    1       -4.270   0.309   0.559  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -5.297  -0.523   0.111  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -6.641  -0.148   0.283  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -6.933   1.082   0.875  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -5.901   1.922   1.266  0.00  0.00    +0.125 A 
ATOM     15  F   LIG    1       -6.198   3.114   1.802  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -4.557   1.571   1.113  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1       -4.803  -1.639  -0.491  0.00  0.00    -0.232 NA
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  N   LIG    1        1.496  -0.722  -0.681  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        1.066  -1.281  -1.403  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.892  -0.649  -0.687  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.647   0.016   0.283  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        5.048   0.065   0.217  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        5.724  -0.547  -0.835  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1        4.987  -1.224  -1.804  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        3.590  -1.270  -1.733  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1        7.077  -0.575  -1.018  0.00  0.00    -0.434 OA
BRANCH  26  27
ATOM     27  C   LIG    1        7.836   0.347  -0.255  0.00  0.00    +0.541 C 
ATOM     28  F   LIG    1        7.891  -0.076   1.032  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        9.108   0.313  -0.728  0.00  0.00    -0.166 F 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5