REMARK  Name = BDB052257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.757  -0.838   3.021  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        3.823  -0.780   1.967  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        4.233  -1.128   0.684  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        3.111  -0.966  -0.088  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        3.038  -1.148  -1.081  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        2.067  -0.557   0.713  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1        5.530  -1.542   0.373  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        6.444  -1.602   1.429  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        2.486  -0.419   1.960  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        6.069  -1.256   2.730  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.707  -0.315   0.226  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        0.364  -0.415  -1.127  0.00  0.00    +0.134 A 
ATOM     13  F   LIG    1        1.296  -0.737  -2.040  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -0.937  -0.176  -1.571  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -1.949   0.159  -0.660  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.611   0.275   0.697  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -0.302   0.038   1.133  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.373   0.450  -1.107  0.00  0.00    +0.084 C 
ATOM     19  N   LIG    1       -3.769  -0.409  -2.233  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -4.045  -1.319  -1.863  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1       -4.833   0.145  -3.071  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -5.765   1.089  -2.321  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -5.005   2.280  -1.740  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -3.547   1.944  -1.423  0.00  0.00    +0.023 C 
ENDBRANCH  15  18
ENDBRANCH   6  11
BRANCH   1  28
ATOM     25  N   LIG    1        3.133  -0.010   4.634  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        2.452   0.010   3.876  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        2.838   0.176   5.581  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1        4.397  -0.479   4.413  0.00  0.00    +0.244 C 
ATOM     29  O   LIG    1        5.199  -0.595   5.333  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 3