REMARK  Name = BDB052250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.163   0.175  -0.420  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -3.837  -0.167  -0.080  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.615  -1.234   0.784  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1       -2.250  -1.301   0.906  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -1.744  -1.956   1.482  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -1.683  -0.311   0.136  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -4.643  -1.995   1.345  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -5.945  -1.635   0.993  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -6.966  -2.335   1.505  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1       -2.632   0.391  -0.461  0.00  0.00    -0.227 NA
ATOM     11  C   LIG    1       -6.215  -0.578   0.132  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.239  -0.072   0.028  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        0.712  -1.018   0.431  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.081  -0.749   0.316  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        2.536   0.472  -0.203  0.00  0.00    -0.030 A 
ATOM     16  C   LIG    1        1.585   1.412  -0.619  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        0.217   1.142  -0.504  0.00  0.00    +0.012 A 
BRANCH  15  18
ATOM     18  C   LIG    1        4.010   0.768  -0.353  0.00  0.00    +0.084 C 
ATOM     19  N   LIG    1        4.802   0.329   0.804  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1        4.736   1.016   1.553  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1        6.170   0.212   0.310  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        5.984  -0.471  -1.031  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        4.651   0.057  -1.550  0.00  0.00    +0.025 C 
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   1  27
ATOM     24  N   LIG    1       -4.431   1.994  -1.859  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -3.469   1.749  -1.635  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -4.618   2.756  -2.493  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -5.479   1.295  -1.335  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1       -6.636   1.584  -1.614  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3