REMARK  Name = BDB049096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.588   0.526  -1.602  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        2.060   1.687  -1.018  0.00  0.00    -0.038 A 
ATOM      3  C   LIG    1        2.906   2.902  -0.771  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        0.706   1.687  -0.651  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -0.121   0.571  -0.882  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        0.432  -0.560  -1.500  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        1.779  -0.584  -1.862  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        9.084   0.178   2.092  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        7.795  -0.604   2.138  0.00  0.00    +0.213 C 
ATOM     10  N   LIG    1        6.933  -0.456   1.063  0.00  0.00    -0.299 N 
ATOM     11  C   LIG    1        7.232   0.344  -0.131  0.00  0.00    +0.126 C 
ATOM     12  C   LIG    1        6.341  -0.004  -1.330  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        4.918   0.039  -0.996  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1        4.015   0.438  -1.975  0.00  0.00    +0.247 C 
ATOM     15  O   LIG    1        4.330   0.719  -3.127  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        4.540  -0.375   0.364  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        5.647  -1.159   1.082  0.00  0.00    +0.126 C 
ATOM     18  O   LIG    1        7.545  -1.337   3.094  0.00  0.00    -0.276 OA
ENDBRANCH   1  14
BRANCH   5  19
ATOM     19  C   LIG    1       -1.577   0.630  -0.461  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -2.022  -0.445   0.561  0.00  0.00    +0.079 C 
ATOM     21  C   LIG    1       -3.553  -0.551   0.323  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -3.837   0.233  -0.886  0.00  0.00    -0.296 NA
ATOM     23  C   LIG    1       -2.571   0.391  -1.604  0.00  0.00    +0.094 C 
BRANCH  20  24
ATOM     24  N   LIG    1       -1.535  -0.292   1.950  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1       -1.932  -1.429   2.782  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1       -1.933   0.962   2.586  0.00  0.00    +0.104 C 
ENDBRANCH  20  24
BRANCH  22  27
ATOM     27  C   LIG    1       -4.914  -0.289  -1.727  0.00  0.00    +0.122 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.276  -0.213  -1.068  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -6.837   1.055  -0.840  0.00  0.00    +0.128 A 
ATOM     30  F   LIG    1       -6.183   2.159  -1.232  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -8.077   1.212  -0.229  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -8.794   0.090   0.167  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -8.268  -1.183  -0.061  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -7.016  -1.353  -0.681  0.00  0.00    -0.043 A 
ATOM     35  C   LIG    1       -6.521  -2.753  -0.925  0.00  0.00    +0.044 C 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH   5  19
TORSDOF 5