REMARK  Name = BDB051597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.880  -0.667   0.369  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -1.749   0.189  -0.243  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1       -2.983  -0.180   0.151  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1       -2.863  -1.306   1.040  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -3.887  -1.997   1.675  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -5.139  -1.453   1.342  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -5.332  -0.344   0.473  0.00  0.00    +0.053 A 
ATOM      8  F   LIG    1       -6.229  -2.019   1.883  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -4.262   0.337  -0.157  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1       -1.532  -1.590   1.158  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        3.295  -0.256  -0.296  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.797  -1.254   0.545  0.00  0.00    +0.130 A 
ATOM     13  F   LIG    1        3.645  -2.094   1.157  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        1.431  -1.407   0.776  0.00  0.00    +0.066 A 
ATOM     15  C   LIG    1        0.523  -0.542   0.156  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1        1.009   0.468  -0.690  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        2.383   0.609  -0.913  0.00  0.00    +0.010 A 
BRANCH  11  18
ATOM     18  C   LIG    1        4.778  -0.112  -0.524  0.00  0.00    +0.119 C 
BRANCH  18  20
ATOM     19  C   LIG    1        5.197   1.877   0.820  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.504   0.472   0.604  0.00  0.00    -0.315 NA
ATOM     21  H   LIG    1        5.298  -0.065   1.447  0.00  0.00    +0.122 HD
ENDBRANCH  18  20
ENDBRANCH  11  18
ENDBRANCH   1  15
BRANCH   9  22
ATOM     22  C   LIG    1       -4.507   1.481  -1.050  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1       -5.645   1.876  -1.272  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1       -3.422   2.080  -1.617  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -3.564   2.866  -2.235  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -2.479   1.749  -1.432  0.00  0.00    +0.145 HD
ENDBRANCH   9  22
TORSDOF 4