REMARK  Name = BDB052253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.536   0.141   0.563  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1        4.251  -0.403   0.356  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        4.134  -1.740  -0.010  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1        2.783  -1.947  -0.128  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        2.345  -2.813  -0.405  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        2.122  -0.775   0.164  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        5.230  -2.585  -0.191  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1        6.490  -2.022   0.019  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        7.574  -2.792  -0.142  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1        2.998   0.172   0.451  0.00  0.00    -0.227 NA
ATOM     11  C   LIG    1        6.655  -0.691   0.388  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        0.664  -0.617   0.130  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -0.213  -1.710   0.123  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -1.599  -1.514   0.087  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -2.148  -0.223   0.071  0.00  0.00    -0.030 A 
ATOM     16  C   LIG    1       -1.270   0.869   0.067  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        0.115   0.672   0.105  0.00  0.00    +0.012 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.659  -0.049   0.006  0.00  0.00    +0.084 C 
ATOM     19  N   LIG    1       -4.087   0.152  -1.386  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -3.334   0.579  -1.924  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1       -5.298   0.958  -1.534  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -6.304   0.713  -0.414  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -5.722   1.066   0.954  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.193   1.031   0.963  0.00  0.00    +0.023 C 
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   1  28
ATOM     25  N   LIG    1        4.630   2.326   1.129  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        3.696   1.944   1.000  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        4.741   3.290   1.408  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1        5.741   1.553   0.957  0.00  0.00    +0.244 C 
ATOM     29  O   LIG    1        6.864   2.012   1.125  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 3