REMARK  Name = BDB046971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.275  -0.668   0.916  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.148  -0.710   0.424  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -3.192   0.406   0.645  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -1.793   0.359   0.436  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.978   1.472   0.698  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.577   2.662   1.174  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -2.950   2.724   1.388  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.370   1.107   0.394  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        0.368  -0.205  -0.054  0.00  0.00    +0.059 A 
ATOM     10  N   LIG    1       -0.944  -0.646   0.002  0.00  0.00    -0.337 N 
ATOM     11  C   LIG    1       -1.381  -1.996  -0.320  0.00  0.00    +0.141 C 
ATOM     12  C   LIG    1       -2.652  -2.001  -1.149  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -3.739   1.612   1.130  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -3.827  -1.800  -0.337  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -4.613  -2.430  -0.455  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        1.494  -1.054  -0.443  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        2.318  -1.617   0.539  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.397  -2.422   0.171  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        3.648  -2.657  -1.176  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        4.684  -3.429  -1.528  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        2.844  -2.100  -2.164  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        1.764  -1.294  -1.798  0.00  0.00    +0.013 A 
ENDBRANCH   9  16
BRANCH   8  23
ATOM     23  C   LIG    1        1.524   2.004   0.556  0.00  0.00    +0.095 A 
ATOM     24  N   LIG    1        1.624   2.905   1.543  0.00  0.00    -0.174 NA
ATOM     25  N   LIG    1        2.812   3.491   1.332  0.00  0.00    -0.284 N 
ATOM     26  H   LIG    1        3.110   4.217   1.974  0.00  0.00    +0.188 HD
ATOM     27  C   LIG    1        3.471   3.009   0.240  0.00  0.00    +0.105 A 
ATOM     28  C   LIG    1        2.656   2.037  -0.290  0.00  0.00    +0.049 A 
ENDBRANCH   8  23
TORSDOF 2