REMARK  Name = BDB049807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.129   2.178  -1.304  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1        4.406   1.050  -1.753  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        5.061   0.100  -2.534  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1        4.109  -0.850  -2.789  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1        4.223  -1.702  -3.323  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1        2.928  -0.474  -2.189  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1        6.400   0.205  -2.912  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1        7.088   1.331  -2.458  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        8.375   1.482  -2.800  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1        3.087   0.676  -1.554  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        6.482   2.300  -1.667  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        1.730  -1.304  -2.281  0.00  0.00    +0.282 C 
ATOM     13  N   LIG    1        0.520  -0.860  -1.727  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1        0.301   0.503  -1.251  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -1.159   0.795  -0.910  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -1.703  -0.293   0.024  0.00  0.00    +0.057 C 
ATOM     17  C   LIG    1       -1.529  -1.692  -0.597  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1       -0.661  -1.706  -1.854  0.00  0.00    +0.109 C 
ATOM     19  O   LIG    1        1.800  -2.396  -2.851  0.00  0.00    -0.267 OA
BRANCH  16  20
ATOM     20  N   LIG    1       -3.119  -0.026   0.336  0.00  0.00    -0.310 NA
ATOM     21  H   LIG    1       -3.331   0.955   0.147  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.488  -0.312   1.733  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1       -3.415  -1.813   2.077  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -4.276  -2.215   3.280  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -4.557  -1.043   4.208  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -5.287   0.088   3.482  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -4.903   0.218   2.004  0.00  0.00    +0.019 C 
ENDBRANCH  20  22
ENDBRANCH  16  20
ENDBRANCH   6  12
BRANCH   1  31
ATOM     28  N   LIG    1        3.202   3.080  -0.126  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1        2.676   2.260  -0.415  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        2.762   3.786   0.445  0.00  0.00    +0.145 HD
ATOM     31  C   LIG    1        4.511   3.236  -0.474  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        5.148   4.217  -0.109  0.00  0.00    -0.270 OA
ENDBRANCH   1  31
TORSDOF 4