REMARK  Name = BDB021793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.633   0.613  -1.396  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -2.542  -0.443  -1.317  0.00  0.00    +0.247 C 
ATOM      3  O   LIG    1       -3.741  -0.337  -1.579  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1        2.498  -0.278  -0.168  0.00  0.00    -0.011 C 
ATOM      5  C   LIG    1        1.609   0.616   0.714  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        0.120   0.405   0.427  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -0.189   0.614  -1.060  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1        0.669  -0.304  -1.937  0.00  0.00    +0.023 C 
ATOM      9  C   LIG    1        2.157  -0.085  -1.658  0.00  0.00    +0.005 C 
BRANCH   4  10
ATOM     10  C   LIG    1        4.000  -0.013   0.056  0.00  0.00    +0.003 C 
BRANCH  10  12
ATOM     11  C   LIG    1        5.984  -0.192   1.600  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1        4.476  -0.343   1.472  0.00  0.00    -0.003 C 
ENDBRANCH  10  12
ENDBRANCH   4  10
ENDBRANCH   1   7
BRANCH   2  13
ATOM     13  C   LIG    1       -2.115  -1.787  -0.905  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -2.206  -2.156   0.441  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -1.873  -3.461   0.835  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -1.499  -4.393  -0.148  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -1.460  -4.031  -1.498  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -1.782  -2.730  -1.880  0.00  0.00    +0.013 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -1.962  -3.864   2.286  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1       -3.211  -4.277   2.636  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -1.647  -2.850   3.139  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -1.124  -4.890   2.607  0.00  0.00    -0.166 F 
ENDBRANCH  15  19
ENDBRANCH   2  13
BRANCH   1  23
ATOM     23  C   LIG    1       -2.201   1.916  -1.768  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.392   2.824  -0.574  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -3.421   2.575   0.346  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.593   3.400   1.459  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.738   4.481   1.664  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -1.713   4.740   0.756  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.540   3.917  -0.358  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7