REMARK  Name = BDB062232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.420   0.375   0.151  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.166  -0.272   0.213  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1        4.106  -1.702   0.365  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        2.786  -2.052   0.395  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        2.083  -0.874   0.266  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        5.169  -2.591   0.465  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        6.405  -1.919   0.400  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        2.908   0.209   0.155  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        6.530  -0.503   0.251  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        0.667  -0.705   0.239  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        0.126   0.581   0.101  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.260   0.769   0.072  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -2.136  -0.321   0.181  0.00  0.00    -0.009 A 
ATOM     14  C   LIG    1       -1.585  -1.604   0.318  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -0.199  -1.799   0.348  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -3.649  -0.147   0.153  0.00  0.00    +0.149 C 
ATOM     17  C   LIG    1       -4.150   0.741   1.322  0.00  0.00    +0.126 C 
ATOM     18  N   LIG    1       -5.612   0.961   1.307  0.00  0.00    -0.313 NA
ATOM     19  H   LIG    1       -6.059   0.044   1.393  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -6.029   1.560   0.037  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -5.632   0.700  -1.162  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -4.126   0.431  -1.189  0.00  0.00    +0.048 C 
ATOM     23  F   LIG    1       -4.289  -1.361   0.292  0.00  0.00    -0.236 F 
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  27
ATOM     24  N   LIG    1        4.482   2.596  -0.088  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        3.555   2.179  -0.046  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        4.578   3.596  -0.191  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1        5.605   1.827  -0.002  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1        6.723   2.324  -0.049  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3