REMARK  Name = BDB052239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.164   0.192   0.212  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.817  -0.134   0.468  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.525  -1.028   1.493  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.158  -1.128   1.480  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -1.595  -1.697   2.097  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -1.656  -0.321   0.482  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1       -4.497  -1.631   2.294  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.829  -1.298   2.029  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.649   0.290  -0.142  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -6.161  -0.403   1.008  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.228  -0.183   0.184  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        0.757  -0.880   0.892  0.00  0.00    +0.134 A 
ATOM     13  F   LIG    1        0.414  -1.717   1.886  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        2.111  -0.736   0.593  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        2.526   0.126  -0.431  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        1.546   0.824  -1.151  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        0.188   0.673  -0.845  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  C   LIG    1        3.986   0.285  -0.786  0.00  0.00    +0.084 C 
ATOM     19  N   LIG    1        4.846   0.381   0.401  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1        4.848   1.334   0.759  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1        6.175  -0.019  -0.050  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        5.881  -1.224  -0.921  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        4.547  -0.898  -1.582  0.00  0.00    +0.025 C 
ENDBRANCH  15  18
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1       -4.561   1.690  -1.608  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -4.800   2.336  -2.345  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -3.585   1.462  -1.431  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -5.559   1.135  -0.860  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1       -6.734   1.411  -1.073  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3