REMARK  Name = BDB007974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.109  -0.035  -0.525  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        0.608   0.839   0.184  0.00  0.00    +0.227 C 
ATOM      3  N   LIG    1        1.767   1.489  -0.183  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1        2.282   2.025   0.505  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.431   1.186  -1.439  0.00  0.00    +0.178 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.245  -0.091  -1.293  0.00  0.00    +0.127 A 
ATOM      7  N   LIG    1        2.523  -1.254  -1.258  0.00  0.00    -0.309 N 
ATOM      8  H   LIG    1        1.506  -1.214  -1.225  0.00  0.00    +0.170 HD
ATOM      9  C   LIG    1        3.104  -2.466  -1.037  0.00  0.00    +0.257 A 
ATOM     10  O   LIG    1        2.462  -3.494  -0.858  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        4.577  -2.447  -1.000  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1        5.296  -3.750  -0.882  0.00  0.00    +0.202 C 
ATOM     13  O   LIG    1        6.704  -3.617  -1.143  0.00  0.00    -0.375 OA
ATOM     14  C   LIG    1        7.269  -2.501  -0.454  0.00  0.00    +0.166 C 
ATOM     15  C   LIG    1        6.693  -1.197  -1.005  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1        5.189  -1.254  -1.074  0.00  0.00    +0.056 A 
ATOM     17  N   LIG    1        4.537  -0.049  -1.191  0.00  0.00    -0.237 NA
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1        0.040   1.271   1.545  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.423   1.421   1.487  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1       -2.028   1.526   2.808  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -3.539   1.318   2.684  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1       -4.181   2.200   1.598  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -3.168   3.154   0.954  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -1.851   2.479   0.563  0.00  0.00    +0.085 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.982   1.436   0.575  0.00  0.00    +0.094 A 
ATOM     26  C   LIG    1       -4.655   0.289  -0.206  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1       -5.790   0.077  -0.973  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1       -5.942  -0.945  -1.904  0.00  0.00    +0.088 A 
ATOM     29  C   LIG    1       -4.850  -1.796  -2.049  0.00  0.00    +0.127 A 
ATOM     30  C   LIG    1       -3.683  -1.633  -1.307  0.00  0.00    +0.039 A 
ATOM     31  F   LIG    1       -4.926  -2.803  -2.931  0.00  0.00    -0.205 F 
ATOM     32  O   LIG    1       -6.720   1.018  -0.672  0.00  0.00    -0.354 OA
ATOM     33  C   LIG    1       -3.570  -0.592  -0.374  0.00  0.00    +0.016 A 
ATOM     34  N   LIG    1       -6.221   1.872   0.291  0.00  0.00    -0.082 NA
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 5