REMARK  Name = BDB063317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.671  -0.931   1.252  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.008  -0.583   0.060  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.352  -0.021   0.182  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1        2.220  -1.268   0.319  0.00  0.00    +0.070 C 
ATOM      5  C   LIG    1        1.524  -2.266  -0.609  0.00  0.00    +0.186 C 
ATOM      6  F   LIG    1        1.416  -3.465   0.022  0.00  0.00    -0.244 F 
ATOM      7  C   LIG    1        0.128  -1.689  -0.879  0.00  0.00    +0.145 C 
ATOM      8  O   LIG    1       -0.044  -1.174   2.285  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -2.235  -1.032   1.196  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -2.798  -0.229   2.419  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1       -4.035  -0.899   3.001  0.00  0.00    +0.161 C 
ATOM     12  O   LIG    1       -3.769  -2.199   3.525  0.00  0.00    -0.380 OA
ATOM     13  C   LIG    1       -2.679  -2.879   2.904  0.00  0.00    +0.161 C 
ATOM     14  C   LIG    1       -2.578  -2.541   1.420  0.00  0.00    +0.049 C 
BRANCH   9  18
ATOM     15  C   LIG    1       -3.776   0.720  -2.531  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -3.144   1.509  -1.577  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -2.663   0.932  -0.395  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -2.807  -0.446  -0.123  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1       -3.428  -1.224  -1.111  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -3.909  -0.646  -2.293  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.218   2.545  -3.986  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.287   1.149  -3.724  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH   9  18
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1        1.500   1.115   1.224  0.00  0.00    +0.239 C 
ATOM     24  N   LIG    1        2.718   1.652   1.524  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        2.673   2.272   2.321  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        0.524   1.619   1.796  0.00  0.00    -0.273 OA
BRANCH  24  27
ATOM     27  C   LIG    1        3.893   1.668   0.768  0.00  0.00    +0.126 A 
ATOM     28  N   LIG    1        3.891   1.166  -0.479  0.00  0.00    -0.229 NA
ATOM     29  C   LIG    1        5.063   1.269  -1.150  0.00  0.00    +0.110 A 
ATOM     30  C   LIG    1        6.202   1.850  -0.615  0.00  0.00    +0.084 A 
ATOM     31  N   LIG    1        7.150   1.752  -1.597  0.00  0.00    -0.275 N 
ATOM     32  H   LIG    1        8.112   2.070  -1.566  0.00  0.00    +0.189 HD
ATOM     33  N   LIG    1        6.714   1.155  -2.724  0.00  0.00    -0.180 NA
ATOM     34  C   LIG    1        6.212   2.380   0.669  0.00  0.00    +0.032 A 
ATOM     35  C   LIG    1        5.438   0.864  -2.445  0.00  0.00    +0.162 A 
ATOM     36  C   LIG    1        5.003   2.278   1.360  0.00  0.00    +0.046 A 
ENDBRANCH  24  27
ENDBRANCH   3  23
TORSDOF 5