REMARK  Name = BDB056395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.011  -4.305  -1.010  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        2.103  -3.148  -0.613  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1        3.324  -2.701  -0.196  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1        4.076  -3.369  -0.263  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1        3.658  -1.401   0.001  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1        4.813  -1.031   0.172  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        2.510  -0.486  -0.036  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        1.155  -1.025  -0.326  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.025  -0.167  -0.299  0.00  0.00    -0.288 N 
ATOM     10  C   LIG    1        0.233   1.255  -0.154  0.00  0.00    +0.086 A 
ATOM     11  C   LIG    1        1.528   1.733   0.159  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        1.765   3.100   0.397  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.735   4.030   0.301  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -0.533   3.607  -0.073  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -0.766   2.241  -0.313  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1        2.667   0.817   0.219  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1        1.034  -2.300  -0.587  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.229  -0.794   0.014  0.00  0.00    +0.084 A 
ATOM     19  C   LIG    1       -1.846  -0.602   1.262  0.00  0.00    +0.147 A 
ATOM     20  F   LIG    1       -1.260   0.177   2.184  0.00  0.00    -0.203 F 
ATOM     21  C   LIG    1       -3.061  -1.205   1.574  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1       -3.683  -2.026   0.636  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -3.084  -2.241  -0.606  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.865  -1.633  -0.915  0.00  0.00    +0.029 A 
ENDBRANCH   9  18
BRANCH  15  25
ATOM     25  N   LIG    1       -2.063   1.927  -0.880  0.00  0.00    +0.058 N 
ATOM     26  O   LIG    1       -3.058   2.183  -0.189  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1       -2.079   1.486  -2.037  0.00  0.00    -0.126 OA
ENDBRANCH  15  25
TORSDOF 2