REMARK  Name = BDB012546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.189   0.415  -1.078  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.979   0.767  -0.198  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1       -2.019   0.963  -1.230  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.576   0.735  -2.497  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -2.643   0.940  -3.376  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -3.728   1.294  -2.583  0.00  0.00    +0.086 A 
ATOM      7  N   LIG    1       -3.329   1.304  -1.260  0.00  0.00    -0.351 N 
ATOM      8  C   LIG    1       -4.174   1.614  -0.133  0.00  0.00    +0.148 C 
ATOM      9  C   LIG    1       -0.185   0.376  -2.459  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1        0.484   0.122  -3.446  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        3.380   0.588   2.743  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        3.028   0.304   1.317  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        4.127  -0.217   0.447  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.245  -0.408   0.918  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1        3.782  -0.445  -0.879  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1        4.791  -0.948  -1.800  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1        2.499  -0.235  -1.366  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        1.488   0.215  -0.599  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        1.806   0.499   0.795  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1       -1.359  -0.314   0.801  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.714   0.047   2.115  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -2.082  -0.928   3.045  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -2.103  -2.264   2.667  0.00  0.00    +0.123 A 
ATOM     24  F   LIG    1       -2.459  -3.196   3.560  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -1.766  -2.646   1.375  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -1.397  -1.675   0.443  0.00  0.00    +0.008 A 
ENDBRANCH   2  20
TORSDOF 2