REMARK  Name = BDB049506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.634  -0.276   0.560  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1        0.138   1.024   0.875  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1        1.561   0.730   0.330  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        1.482  -0.536  -0.426  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        0.059  -0.736  -0.730  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.365  -0.570  -1.601  0.00  0.00    +0.090 C 
ATOM      7  C   LIG    1        3.828  -0.598  -1.222  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        4.328  -1.908  -1.213  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1        5.640  -2.178  -0.855  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        6.474  -1.105  -0.527  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        5.988   0.210  -0.560  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        3.264  -2.877  -1.620  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1        4.662   0.459  -0.910  0.00  0.00    +0.128 A 
ATOM     14  F   LIG    1        4.214   1.720  -0.948  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        2.306  -1.928  -2.354  0.00  0.00    +0.028 C 
ENDBRANCH   4   6
BRANCH   1  19
ATOM     16  C   LIG    1       -4.953   0.047   0.238  0.00  0.00    +0.161 A 
ATOM     17  C   LIG    1       -4.134   0.804  -0.621  0.00  0.00    +0.162 A 
ATOM     18  C   LIG    1       -2.739   0.702  -0.519  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1       -2.139  -0.139   0.433  0.00  0.00    -0.038 A 
ATOM     20  C   LIG    1       -2.969  -0.875   1.286  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -4.361  -0.786   1.190  0.00  0.00    +0.049 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -7.162  -0.524   0.947  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -6.308   0.195   0.069  0.00  0.00    -0.491 OA
ENDBRANCH  16  23
BRANCH  17  24
ATOM     24  O   LIG    1       -4.787   1.599  -1.532  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -4.007   2.520  -2.279  0.00  0.00    +0.277 C 
ENDBRANCH  17  24
ENDBRANCH   1  19
BRANCH   2  26
ATOM     26  N   LIG    1        0.009   1.565   2.244  0.00  0.00    -0.304 NA
ATOM     27  C   LIG    1        0.456   0.653   3.295  0.00  0.00    +0.104 C 
ATOM     28  C   LIG    1        0.689   2.856   2.373  0.00  0.00    +0.104 C 
ENDBRANCH   2  26
TORSDOF 5