REMARK  Name = BDB051112
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.427  -0.166  -0.065  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.401  -1.413   0.554  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.422  -2.295   0.303  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.410  -1.782   1.439  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.469  -0.908   1.693  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.538   0.335   1.047  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.501   0.703   0.176  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.731   0.867  -2.036  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.387   0.258  -1.025  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        0.928  -0.018  -0.726  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        2.078   0.586  -1.394  0.00  0.00    +0.116 C 
ATOM     12  C   LIG    1        2.924   0.109  -0.184  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1        3.639  -1.230  -0.454  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1        4.784  -1.430   0.531  0.00  0.00    +0.108 C 
ATOM     15  N   LIG    1        5.769  -0.356   0.416  0.00  0.00    -0.301 N 
ATOM     16  C   LIG    1        7.095  -0.641   0.717  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.477  -1.722   1.152  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        5.287   0.960  -0.001  0.00  0.00    +0.108 C 
ATOM     19  C   LIG    1        3.841   1.177   0.430  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1        1.580  -0.028   0.581  0.00  0.00    +0.116 C 
BRANCH  16  21
ATOM     21  C   LIG    1        8.091   0.445   0.501  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1        9.443   0.112  -0.094  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        8.452   0.898  -0.896  0.00  0.00    +0.013 C 
ENDBRANCH  16  21
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1       -4.689   1.283   1.304  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.057   0.634   1.132  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -6.607   0.401  -0.229  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -7.856  -0.211  -0.312  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -8.445  -0.470  -1.556  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -7.776  -0.114  -2.725  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.526   0.499  -2.650  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.558  -0.584   0.927  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -9.659  -1.122   0.902  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -7.908  -0.294   2.101  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -8.380  -0.542   2.965  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -5.941   0.759  -1.407  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -6.690   0.296   2.219  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 4