REMARK  Name = BDB048329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.760   2.310  -0.537  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.119   0.845  -0.513  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.076  -0.062  -0.354  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.659   0.336  -0.504  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.755  -0.699   0.063  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.197  -1.921   0.517  0.00  0.00    +0.044 A 
ATOM      7  N   LIG    1       -0.105  -2.590   0.956  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1       -0.046  -3.516   1.367  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1        1.028  -1.889   0.802  0.00  0.00    -0.158 NA
ATOM     10  C   LIG    1       -2.603  -2.376   0.527  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.653  -0.724   0.258  0.00  0.00    +0.150 A 
ATOM     12  C   LIG    1       -3.399  -1.502  -0.466  0.00  0.00    +0.114 C 
ATOM     13  O   LIG    1       -5.296   0.498  -0.618  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1        1.445   0.323  -0.087  0.00  0.00    -0.298 N 
ATOM     15  H   LIG    1        0.994   1.134  -0.489  0.00  0.00    +0.154 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.842   0.519   0.015  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        3.385   1.730  -0.444  0.00  0.00    +0.061 A 
ATOM     18  C   LIG    1        4.756   1.971  -0.366  0.00  0.00    +0.125 A 
ATOM     19  F   LIG    1        5.243   3.136  -0.813  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        5.622   1.026   0.163  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        5.105  -0.180   0.623  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.728  -0.427   0.548  0.00  0.00    +0.023 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
TORSDOF 2