REMARK  Name = BDB059708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.268   0.471   0.295  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1       -3.988  -0.117   0.219  0.00  0.00    +0.104 A 
ATOM      3  C   LIG    1       -3.874  -1.500   0.112  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.522  -1.732   0.062  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -2.087  -2.639   0.005  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -1.856  -0.530   0.130  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -4.967  -2.366   0.077  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -6.229  -1.774   0.153  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1       -2.729   0.457   0.235  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -6.375  -0.388   0.259  0.00  0.00    +0.138 A 
ATOM     11  F   LIG    1       -7.627   0.089   0.325  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.397  -0.390   0.113  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        0.183   0.808   0.540  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.574   0.975   0.538  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        2.442  -0.037   0.100  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        1.849  -1.236  -0.317  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        0.455  -1.411  -0.318  0.00  0.00    +0.013 A 
BRANCH  15  18
ATOM     18  N   LIG    1        3.827   0.177   0.129  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1        4.722  -0.991  -0.026  0.00  0.00    +0.133 C 
ATOM     20  C   LIG    1        6.175  -0.579   0.258  0.00  0.00    +0.178 C 
ATOM     21  O   LIG    1        6.593   0.488  -0.607  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1        5.756   1.638  -0.404  0.00  0.00    +0.178 C 
ATOM     23  C   LIG    1        4.279   1.327  -0.696  0.00  0.00    +0.133 C 
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   1  27
ATOM     24  N   LIG    1       -4.317   2.706   0.414  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -4.411   3.708   0.489  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -3.390   2.290   0.348  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -5.447   1.937   0.407  0.00  0.00    +0.246 C 
ATOM     28  O   LIG    1       -6.547   2.466   0.490  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3