REMARK  Name = BDB031067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.630   0.482   0.058  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1        0.669  -0.367   0.464  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.506  -0.364  -0.204  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -0.764   0.458  -1.291  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.231   1.339  -1.691  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.442   1.356  -1.004  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.472  -1.323   0.294  0.00  0.00    +0.092 A 
ATOM      8  N   LIG    1       -2.749  -1.033   0.744  0.00  0.00    -0.294 N 
ATOM      9  C   LIG    1       -3.333  -2.250   1.095  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1       -4.675  -2.220   1.563  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -5.320  -1.044   1.672  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -4.682   0.220   1.327  0.00  0.00    +0.147 A 
ATOM     13  N   LIG    1       -2.501  -3.255   0.937  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1       -3.412   0.194   0.872  0.00  0.00    +0.139 A 
ATOM     15  C   LIG    1       -1.344  -2.688   0.472  0.00  0.00    +0.141 A 
BRANCH  12  16
ATOM     16  O   LIG    1       -5.494   1.304   1.520  0.00  0.00    -0.404 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -4.981   2.589   1.209  0.00  0.00    +0.575 C 
ATOM     18  F   LIG    1       -4.633   2.665  -0.093  0.00  0.00    -0.133 F 
ATOM     19  F   LIG    1       -3.909   2.878   1.975  0.00  0.00    -0.133 F 
ATOM     20  F   LIG    1       -5.937   3.513   1.448  0.00  0.00    -0.133 F 
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  N   LIG    1        2.803   0.423   0.798  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1        2.561  -0.242   1.538  0.00  0.00    +0.148 HD
BRANCH  21  25
ATOM     23  F   LIG    1        6.053   1.187  -0.069  0.00  0.00    -0.242 F 
ATOM     24  C   LIG    1        4.807   1.059  -0.618  0.00  0.00    +0.201 C 
ATOM     25  C   LIG    1        4.047  -0.028   0.142  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        3.908  -1.189  -0.860  0.00  0.00    +0.106 C 
ATOM     27  N   LIG    1        4.939  -0.962  -1.891  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1        5.843  -1.254  -1.511  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        4.964   0.507  -2.029  0.00  0.00    +0.119 C 
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 5