REMARK  Name = BDB049227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.381  -1.315   1.165  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.605  -0.896   0.049  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        0.377  -0.374  -1.011  0.00  0.00    +0.095 C 
ATOM      4  N   LIG    1        1.454  -1.370  -1.001  0.00  0.00    -0.290 NA
ATOM      5  C   LIG    1        1.562  -1.912   0.358  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.657   0.117   0.409  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.798   0.456  -0.395  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.527   1.435   0.285  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.707   1.988  -0.238  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -5.152   1.532  -1.482  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.447   0.557  -2.180  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -2.860   1.678   1.464  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -3.283   2.618   2.478  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -3.273   0.012  -1.649  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -1.739   0.898   1.547  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   4  16
ATOM     16  C   LIG    1        2.720  -1.009  -1.645  0.00  0.00    +0.131 C 
ATOM     17  C   LIG    1        3.318   0.305  -1.287  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        3.143   1.200  -2.334  0.00  0.00    +0.128 A 
ATOM     19  C   LIG    1        3.558   2.517  -2.262  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        4.202   2.940  -1.097  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.413   2.040  -0.042  0.00  0.00    +0.039 A 
ATOM     22  O   LIG    1        2.517   0.662  -3.428  0.00  0.00    -0.490 OA
ATOM     23  C   LIG    1        3.970   0.721  -0.144  0.00  0.00    +0.132 A 
ATOM     24  F   LIG    1        4.196  -0.126   0.867  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        2.557  -0.762  -3.168  0.00  0.00    +0.253 C 
ENDBRANCH   4  16
BRANCH   1  27
ATOM     26  C   LIG    1        0.896  -2.431   3.266  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1       -0.148  -2.111   2.294  0.00  0.00    -0.304 NA
ATOM     28  C   LIG    1       -0.870  -3.316   1.896  0.00  0.00    +0.104 C 
ENDBRANCH   1  27
TORSDOF 3