REMARK  Name = BDB049214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.471   0.054  -0.923  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        2.782  -0.829   0.200  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1        1.416  -1.462   0.547  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1        0.770  -1.630  -0.862  0.00  0.00    +0.053 C 
ATOM      5  C   LIG    1        1.626  -0.759  -1.805  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -0.702  -1.285  -0.919  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -1.335  -0.023  -0.664  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -2.720  -0.184  -0.845  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -3.603   0.902  -0.645  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -3.076   2.154  -0.287  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -1.711   2.327  -0.116  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -2.913  -1.505  -1.203  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -4.174  -2.155  -1.491  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -0.841   1.251  -0.298  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -1.711  -2.162  -1.262  0.00  0.00    +0.090 A 
BRANCH   9  16
ATOM     16  C   LIG    1       -5.065   0.783  -0.811  0.00  0.00    +0.249 C 
ATOM     17  N   LIG    1       -5.827   1.085   0.295  0.00  0.00    -0.292 N 
ATOM     18  C   LIG    1       -5.487   0.920   1.705  0.00  0.00    +0.146 C 
ATOM     19  C   LIG    1       -6.999   0.967   1.987  0.00  0.00    +0.200 C 
ATOM     20  F   LIG    1       -7.474   0.036   2.848  0.00  0.00    -0.242 F 
ATOM     21  C   LIG    1       -7.217   0.687   0.492  0.00  0.00    +0.146 C 
ATOM     22  O   LIG    1       -5.543   0.441  -1.887  0.00  0.00    -0.270 OA
ENDBRANCH   9  16
ENDBRANCH   4   6
BRANCH   3  23
ATOM     23  N   LIG    1        1.544  -2.711   1.351  0.00  0.00    -0.304 NA
ATOM     24  C   LIG    1        0.234  -3.318   1.607  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1        2.204  -2.446   2.635  0.00  0.00    +0.104 C 
ENDBRANCH   3  23
BRANCH   1  26
ATOM     26  C   LIG    1        3.642   0.595  -1.614  0.00  0.00    +0.122 C 
BRANCH  26  29
ATOM     27  C   LIG    1        6.367   0.069  -0.366  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        5.646   1.379  -0.199  0.00  0.00    -0.043 A 
ATOM     29  C   LIG    1        4.387   1.625  -0.789  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.793   2.883  -0.599  0.00  0.00    +0.128 A 
ATOM     31  F   LIG    1        2.607   3.159  -1.162  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        4.407   3.878   0.155  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        5.644   3.632   0.740  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1        6.259   2.392   0.562  0.00  0.00    +0.004 A 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 5