REMARK  Name = BDB036864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.098   1.594   0.908  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.567   0.411   0.374  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.072  -0.805   0.127  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.506  -1.812  -0.270  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.940   0.593  -0.123  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -1.979   0.540  -1.660  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -1.045   0.910  -2.372  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.176   0.157  -2.219  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -3.207   0.139  -3.228  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.358  -0.115  -1.576  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.387  -0.330  -2.210  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.346  -0.037  -0.066  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.969  -0.354   0.497  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        1.528  -0.900   0.303  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        2.409  -0.150  -0.478  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        3.788  -0.305  -0.293  0.00  0.00    +0.074 A 
ATOM     17  C   LIG    1        4.212  -1.207   0.676  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1        3.375  -1.959   1.431  0.00  0.00    -0.262 NA
ATOM     19  C   LIG    1        2.046  -1.804   1.214  0.00  0.00    +0.123 A 
BRANCH  16  20
ATOM     20  C   LIG    1        4.786   0.491  -1.075  0.00  0.00    +0.419 C 
ATOM     21  F   LIG    1        4.409   0.694  -2.367  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        6.016  -0.088  -1.131  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        4.980   1.730  -0.543  0.00  0.00    -0.166 F 
ENDBRANCH  16  20
ENDBRANCH   3  14
TORSDOF 3