Sophie

Sophie

distrib > Mandriva > 2010.0 > i586 > media > contrib-release > by-pkgid > 1207d5bcb9d72a9295f82613d8642ea2 > files > 12

gabedit-2.2.5-2mdv2010.0.i586.rpm

forcefield Amber99
sys 0 0 1
view 40 0.1272 55 15 0.247224 0.3713666 0.8949677 -0.8641704 0.5022867 0.0302929 -0.4382806 -0.7808937 0.4451014 6.191 0.64575 -54.754
seed -1108
mol 1
res 1 ARG 1 - - 
ATOM 1 HA H H1 - -0.013000 2.973846 -0.251038 -1.588962 1 4 s 
ATOM 2 HG2 H HC - 0.078100 0.511846 0.259962 -1.432962 1 8 s 
ATOM 3 HB1 H HC - 0.162200 1.406846 -1.903038 -0.627962 1 10 s 
ATOM 4 CA C CT - 0.613500 2.974846 -0.436038 -0.514962 4 1 s 5 s 10 s 14 s 
ATOM 5 N N N - -0.687400 4.034846 -1.390038 -0.256962 2 4 s 20 s 
ATOM 6 HD1 H H1 - 0.055100 -1.024154 -1.432038 -0.464962 1 13 s 
ATOM 7 HE H H - 0.383700 -1.655154 1.355962 -0.610962 1 12 s 
ATOM 8 CG C CT - -0.121200 0.536846 0.043962 -0.364962 4 2 s 10 s 13 s 16 s 
ATOM 9 HH21 H H - 0.511600 -3.760154 2.046962 -0.601962 1 15 s 
ATOM 10 CB C CT - -0.426200 1.620846 -0.988038 -0.076962 4 3 s 4 s 8 s 23 s 
ATOM 11 OH O OH - -0.747600 2.518846 1.822962 -0.101962 2 14 s 17 s 
ATOM 12 NE N N2 - -0.707500 -1.898154 0.469962 -0.191962 3 7 s 13 s 18 s 
ATOM 13 CD C CT - 0.185000 -0.817154 -0.507038 0.072038 4 6 s 8 s 12 s 26 s 
ATOM 14 C C C - 0.683200 3.211846 0.864962 0.239038 3 4 s 11 s 22 d 
ATOM 15 NH2 N N2 - -1.121400 -4.064154 1.180962 -0.181962 3 9 s 18 s 19 s 
ATOM 16 HG1 H HC - 0.126700 0.749846 0.959962 0.186038 1 8 s 
ATOM 17 HO H HO - 0.544600 2.749846 2.720962 0.195038 1 11 s 
ATOM 18 CZ C CA - 1.082900 -3.174154 0.232962 0.098038 3 12 s 15 s 21 s 
ATOM 19 HH22 H H - 0.514900 -5.041154 1.029962 0.026038 1 15 s 
ATOM 20 H H H - 0.362500 4.072846 -1.591038 0.731038 1 5 s 
ATOM 21 NH1 N N2 - -0.981100 -3.572154 -0.910038 0.650038 3 18 s 24 s 25 s 
ATOM 22 O O O - -0.590800 4.221846 1.001962 0.965038 1 14 d 
ATOM 23 HB2 H HC - 0.097600 1.644846 -1.202038 0.991038 1 10 s 
ATOM 24 HH11 H H - 0.452300 -2.894154 -1.627038 0.862038 1 21 s 
ATOM 25 HH12 H H - 0.483000 -4.549154 -1.055038 0.857038 1 21 s 
ATOM 26 HD2 H H1 - 0.059300 -0.780154 -0.699038 1.145038 1 13 s 
endres 1
endmol 1