REMARK  Name = BDB041267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.293  -0.584  -2.405  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.765   0.073  -1.168  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -1.597   1.263  -1.642  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1       -2.131   0.880  -3.016  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1       -1.417  -0.430  -3.350  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        0.938   0.014  -2.945  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1        6.335  -0.208   0.701  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        6.050   1.227   0.369  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        6.773   2.139   0.757  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        4.939   1.484  -0.393  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1        4.763   2.456  -0.604  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        4.088   0.480  -0.869  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.356  -0.855  -0.574  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1        3.592  -1.883  -0.995  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        2.508  -1.558  -1.740  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        2.151  -0.254  -2.089  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        2.973   0.787  -1.640  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        5.526  -1.177   0.234  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1        7.338  -0.212   3.005  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        7.559  -0.495   1.525  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   3  21
ATOM     21  O   LIG    1       -2.517   1.844  -0.728  0.00  0.00    -0.483 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.552   1.190  -0.140  0.00  0.00    +0.175 A 
ATOM     23  C   LIG    1       -4.079  -0.071  -0.402  0.00  0.00    +0.256 A 
ATOM     24  F   LIG    1       -3.550  -0.838  -1.362  0.00  0.00    -0.180 F 
ATOM     25  N   LIG    1       -5.130  -0.615   0.253  0.00  0.00    -0.211 NA
ATOM     26  C   LIG    1       -5.702   0.134   1.222  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1       -5.265   1.407   1.560  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -4.178   1.933   0.865  0.00  0.00    +0.052 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.872  -0.478   1.929  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1       -6.929  -0.262   3.299  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -6.088   0.041   3.772  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -7.937  -0.922   4.090  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -7.708  -1.134   1.319  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6