REMARK  Name = BDB063249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.608   0.757  -0.702  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -0.530   0.281  -0.030  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.686   0.623  -0.489  0.00  0.00    +0.241 A 
ATOM      4  N   LIG    1        0.847   1.417  -1.565  0.00  0.00    -0.113 NA
ATOM      5  N   LIG    1       -0.233   1.922  -2.223  0.00  0.00    -0.151 NA
ATOM      6  C   LIG    1       -1.457   1.593  -1.783  0.00  0.00    +0.181 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.105   0.314  -0.954  0.00  0.00    +0.116 A 
ATOM      8  N   LIG    1       -2.909   0.399  -0.233  0.00  0.00    -0.279 N 
ATOM      9  C   LIG    1       -3.220   0.048   1.081  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1       -4.603  -0.101   1.091  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1       -5.268  -0.417   2.286  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -4.522  -0.575   3.457  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -3.139  -0.413   3.440  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -2.462  -0.093   2.257  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1       -5.128   0.092  -0.152  0.00  0.00    -0.232 NA
BRANCH   7  17
ATOM     16  C   LIG    1       -5.418  -0.454  -2.954  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -4.232   0.359  -2.448  0.00  0.00    +0.071 C 
ENDBRANCH   7  17
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  N   LIG    1        1.756   0.083   0.222  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        1.401  -0.498   0.967  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.145   0.200   0.116  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.794   1.015  -0.814  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        5.192   1.077  -0.870  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        5.978   0.315  -0.007  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1        5.349  -0.495   0.934  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        3.949  -0.552   0.988  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1        7.325   0.469  -0.165  0.00  0.00    -0.434 OA
BRANCH  26  27
ATOM     27  C   LIG    1        8.143  -0.541   0.401  0.00  0.00    +0.541 C 
ATOM     28  F   LIG    1        8.183  -0.382   1.747  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        9.407  -0.339  -0.050  0.00  0.00    -0.166 F 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 6