REMARK  Name = BDB051118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.039   1.304  -2.529  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.201   0.398  -3.573  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.209   0.149  -4.439  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.415  -0.259  -3.756  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.482  -0.010  -2.889  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.339   0.897  -1.828  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.115   1.569  -1.671  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.186   3.234  -2.058  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.228   2.036  -2.322  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.403   1.324  -2.399  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        1.668  -0.085  -2.095  0.00  0.00    +0.119 C 
ATOM     12  C   LIG    1        2.920   0.404  -1.425  0.00  0.00    +0.034 C 
ATOM     13  C   LIG    1        3.057   0.210   0.060  0.00  0.00    +0.119 C 
ATOM     14  N   LIG    1        4.138  -0.710  -0.276  0.00  0.00    -0.300 N 
ATOM     15  C   LIG    1        5.133  -1.250   0.490  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        6.157  -1.744   0.033  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        4.209  -0.317  -1.681  0.00  0.00    +0.119 C 
ATOM     18  C   LIG    1        2.722   1.790  -1.956  0.00  0.00    +0.119 C 
BRANCH  15  19
ATOM     19  C   LIG    1        4.887  -1.221   1.956  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1        5.232   0.015   2.757  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1        6.045  -1.233   2.929  0.00  0.00    +0.013 C 
ENDBRANCH  15  19
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -4.497   1.180  -0.896  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.136   1.003   0.575  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1       -4.068  -0.356   1.170  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -3.694  -0.445   2.510  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1       -3.599  -1.689   3.145  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -3.882  -2.853   2.434  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.260  -2.773   1.094  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.400   0.788   3.258  0.00  0.00    +0.272 A 
ATOM     30  O   LIG    1       -3.058   0.755   4.434  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -3.532   1.963   2.560  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1       -3.332   2.825   3.058  0.00  0.00    +0.192 HD
ATOM     33  C   LIG    1       -4.354  -1.529   0.461  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1       -3.881   2.084   1.253  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4