REMARK  Name = BDB063314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.654   0.861  -0.045  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.191   1.574  -0.872  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.530   1.912  -0.381  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1        2.011   3.022  -1.315  0.00  0.00    +0.070 C 
ATOM      5  C   LIG    1        1.372   2.643  -2.639  0.00  0.00    +0.186 C 
ATOM      6  F   LIG    1        2.134   1.692  -3.239  0.00  0.00    -0.244 F 
ATOM      7  C   LIG    1        0.024   2.050  -2.240  0.00  0.00    +0.145 C 
ATOM      8  O   LIG    1       -0.275   0.662   1.118  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -2.010   0.235  -0.558  0.00  0.00    +0.072 C 
ATOM     10  C   LIG    1       -2.897   1.223  -1.366  0.00  0.00    +0.021 C 
ATOM     11  C   LIG    1       -4.206   0.595  -1.864  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -4.040  -0.847  -2.345  0.00  0.00    +0.000 C 
ATOM     13  C   LIG    1       -2.594  -1.201  -2.663  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -1.617  -0.943  -1.506  0.00  0.00    +0.021 C 
BRANCH   9  18
ATOM     15  C   LIG    1       -4.411  -0.840   2.985  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -4.026   0.475   2.740  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -3.258   0.796   1.616  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -2.853  -0.190   0.692  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1       -3.245  -1.510   0.963  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -4.016  -1.831   2.092  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -5.519  -2.357   4.437  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -5.160  -1.020   4.114  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH   9  18
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1        2.478   0.684  -0.429  0.00  0.00    +0.239 C 
ATOM     24  N   LIG    1        3.663   0.915   0.240  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        3.785   1.778   0.753  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        2.187  -0.346  -1.032  0.00  0.00    -0.273 OA
BRANCH  24  27
ATOM     27  C   LIG    1        4.766   0.068   0.384  0.00  0.00    +0.126 A 
ATOM     28  N   LIG    1        5.743   0.625   1.132  0.00  0.00    -0.229 NA
ATOM     29  C   LIG    1        6.842  -0.144   1.310  0.00  0.00    +0.110 A 
ATOM     30  C   LIG    1        6.984  -1.412   0.771  0.00  0.00    +0.084 A 
ATOM     31  N   LIG    1        8.217  -1.841   1.179  0.00  0.00    -0.275 N 
ATOM     32  H   LIG    1        8.663  -2.729   0.977  0.00  0.00    +0.189 HD
ATOM     33  N   LIG    1        8.888  -0.949   1.936  0.00  0.00    -0.180 NA
ATOM     34  C   LIG    1        5.984  -1.988  -0.002  0.00  0.00    +0.032 A 
ATOM     35  C   LIG    1        8.040   0.085   2.014  0.00  0.00    +0.162 A 
ATOM     36  C   LIG    1        4.845  -1.200  -0.189  0.00  0.00    +0.046 A 
ENDBRANCH  24  27
ENDBRANCH   3  23
TORSDOF 5