REMARK  Name = BDB022006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.070   0.101   0.503  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        1.009   0.461   1.535  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        2.408   0.296   0.943  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        2.558  -0.952   0.192  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        3.539  -1.166  -0.774  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        3.514  -2.091  -1.581  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.481  -1.924   0.328  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.151  -1.305  -0.093  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.673  -0.220  -0.858  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        4.914   0.428  -2.071  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        5.989   1.302  -2.162  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1        6.222   1.941  -3.316  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        6.831   1.526  -1.075  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        6.603   0.856   0.127  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.525  -0.025   0.236  0.00  0.00    +0.013 A 
ENDBRANCH   5   9
BRANCH   1  17
ATOM     16  O   LIG    1       -1.642   0.408   2.304  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -1.471   0.225   1.104  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1       -2.464   0.112   0.142  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1       -2.155  -0.016  -0.814  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.860   0.165   0.335  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.667   0.034  -0.803  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -6.070   0.080  -0.711  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1       -6.662   0.244   0.547  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.865   0.374   1.683  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.472   0.336   1.577  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -6.921  -0.085  -1.946  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1       -8.134   0.525  -1.850  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -7.178  -1.392  -2.225  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -6.335   0.427  -3.064  0.00  0.00    -0.166 F 
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 4