REMARK  Name = BDB021949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.485   1.171   0.556  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        1.697   0.506   0.786  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.731  -0.796   0.337  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.174  -0.956  -0.491  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.650   1.067   1.323  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -5.255  -1.344  -1.102  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -4.694  -1.005   0.257  0.00  0.00    +0.212 C 
ATOM      8  N   LIG    1       -3.556  -0.205   0.282  0.00  0.00    -0.302 N 
ATOM      9  C   LIG    1       -3.008   0.203   1.571  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -1.488   0.065   1.610  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -0.809   0.490   0.293  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1       -1.763   1.274  -0.618  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.003   0.434  -0.911  0.00  0.00    +0.109 C 
ATOM     14  O   LIG    1       -5.231  -1.438   1.276  0.00  0.00    -0.276 OA
ENDBRANCH   1  11
BRANCH   3  15
ATOM     15  C   LIG    1        2.708  -1.780   0.630  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        2.799  -2.945  -0.160  0.00  0.00    +0.076 A 
ATOM     17  C   LIG    1        3.763  -3.925   0.162  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        4.615  -3.765   1.251  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.513  -2.626   2.037  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.565  -1.646   1.732  0.00  0.00    +0.024 A 
BRANCH  16  21
ATOM     21  C   LIG    1        1.924  -3.216  -1.357  0.00  0.00    +0.419 C 
ATOM     22  F   LIG    1        1.219  -4.376  -1.238  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        2.637  -3.333  -2.512  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        0.990  -2.248  -1.602  0.00  0.00    -0.166 F 
ENDBRANCH  16  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1        0.446   2.582   0.962  0.00  0.00    +0.183 C 
BRANCH  25  26
ATOM     26  C   LIG    1        0.777   3.442  -0.205  0.00  0.00    +0.122 A 
ATOM     27  O   LIG    1       -0.241   4.178  -0.740  0.00  0.00    -0.466 OA
ATOM     28  C   LIG    1        0.282   4.884  -1.775  0.00  0.00    +0.195 A 
ATOM     29  C   LIG    1        1.623   4.616  -1.914  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        1.946   3.686  -0.898  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 5