REMARK  Name = BDB007302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.606  -2.451   0.435  0.00  0.00    +0.171 C 
ATOM      2  N   LIG    1       -0.166  -1.065   0.649  0.00  0.00    -0.283 N 
ATOM      3  N   LIG    1       -0.234  -0.230  -0.530  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1       -1.013   0.908  -0.281  0.00  0.00    +0.276 A 
ATOM      5  O   LIG    1       -1.140   1.881  -1.006  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1       -1.585   0.779   1.058  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -2.455   1.571   1.803  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -2.740   1.135   3.111  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.169  -0.032   3.623  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -2.459  -0.410   4.874  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.306  -0.809   2.863  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -1.023  -0.400   1.568  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        0.979  -0.074  -1.349  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1        2.124   0.586  -0.560  0.00  0.00    +0.042 C 
ATOM     15  C   LIG    1        3.459   0.340  -1.252  0.00  0.00    +0.083 C 
ATOM     16  N   LIG    1        3.799  -1.082  -1.337  0.00  0.00    -0.316 NA
ATOM     17  H   LIG    1        4.409  -1.236  -2.139  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        2.644  -1.977  -1.388  0.00  0.00    +0.083 C 
ATOM     19  C   LIG    1        1.431  -1.353  -2.067  0.00  0.00    +0.042 C 
ENDBRANCH   3  13
BRANCH   7  20
ATOM     20  C   LIG    1       -3.133   2.824   1.374  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1       -3.827   3.457   2.164  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1       -3.002   3.274   0.098  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -2.323   2.905  -0.566  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -3.410   4.172  -0.122  0.00  0.00    +0.145 HD
ENDBRANCH   7  20
TORSDOF 2