REMARK  Name = BDB017063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.781   0.107  -0.534  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -1.802   0.941  -0.944  0.00  0.00    -0.329 N 
ATOM      3  C   LIG    1       -1.269   2.173  -1.200  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.023   2.196  -0.982  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.353   0.916  -0.567  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  10
ATOM      6  F   LIG    1       -1.522  -5.227   0.937  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1       -1.341  -3.947   0.584  0.00  0.00    +0.123 A 
ATOM      8  C   LIG    1       -1.241  -2.973   1.570  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -1.053  -1.640   1.202  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.971  -1.287  -0.152  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.065  -2.283  -1.133  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.254  -3.616  -0.764  0.00  0.00    +0.039 A 
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  C   LIG    1        1.728   0.541  -0.230  0.00  0.00    +0.092 A 
ATOM     14  N   LIG    1        1.980  -0.757   0.067  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        3.248  -1.097   0.372  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1        4.298  -0.200   0.397  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        4.037   1.136   0.089  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        2.728   1.509  -0.230  0.00  0.00    +0.041 A 
BRANCH  17  19
ATOM     19  C   LIG    1        5.106   2.124   0.100  0.00  0.00    +0.204 A 
ATOM     20  N   LIG    1        6.393   1.855   0.392  0.00  0.00    -0.133 NA
ATOM     21  N   LIG    1        6.926   3.078   0.258  0.00  0.00    -0.176 N 
ATOM     22  H   LIG    1        7.915   3.258   0.407  0.00  0.00    +0.214 HD
ATOM     23  N   LIG    1        6.081   4.054  -0.085  0.00  0.00    -0.049 NA
ATOM     24  N   LIG    1        4.904   3.454  -0.190  0.00  0.00    -0.108 NA
ENDBRANCH  17  19
ENDBRANCH   5  13
BRANCH   2  25
ATOM     25  C   LIG    1       -3.212   0.615  -1.107  0.00  0.00    +0.127 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.988   0.815   0.161  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -4.394  -0.357   1.019  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -5.432   0.382   0.225  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5