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© September 2007; August 2010 Lorentz JÄNTSCHI && Sorana Daniela BOLBOACĂ

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forcefield mm+
sys 0 0 1
view 40 0.27344 55 15 0.4325493 -0.2150653 0.8755844 -0.3204402 0.8710592 0.3722552 -0.842745 -0.4415912 0.3078604 0.36013 0.29305 -54.783
seed 0
mol 1
atom 1 - O ** - -0.2056541 0.01280525 0.08470102 3.130765 1 13 s
atom 2 - O ** - -0.5916171 -3.106665 1.672475 1.104809 1 8 d
atom 3 - O ** - -0.5614147 3.355528 -1.200382 1.284493 1 9 d
atom 4 - O ** - -0.5592251 -2.154975 1.408116 2.979879 1 8 d
atom 5 - O ** - -0.605371 2.048276 -1.78539 2.860478 1 9 d
atom 6 - O ** - -0.5781693 -0.9615034 0.314227 -3.121304 1 10 d
atom 7 - O ** - -0.5826063 1.005604 -0.4895602 -3.10785 1 10 d
atom 8 - N ** - 1.319421 -2.177538 1.276259 1.77847 3 2 d 4 d 11 s
atom 9 - N ** - 1.329474 2.260315 -1.244379 1.793109 3 3 d 5 d 12 s
atom 10 - N ** - 1.316125 0.02323193 -0.07387787 -2.532221 3 6 d 7 d 14 s
atom 11 - C ** - -0.4868751 -1.028876 0.5931205 1.067326 3 8 s 13 d 15 s
atom 12 - C ** - -0.5194864 1.094975 -0.6190691 1.073434 3 9 s 13 s 16 d
atom 13 - C ** - 0.325201 0.02557977 -0.02161836 1.783683 3 1 s 11 d 12 s
atom 14 - C ** - -0.4771214 0.02798971 -0.04548062 -1.022084 3 10 s 15 d 16 s
atom 15 - C ** - 0.1476824 -1.025314 0.5600896 -0.3294865 2 11 s 14 d
atom 16 - C ** - 0.1489065 1.092612 -0.6195375 -0.3221027 2 12 d 14 s
endmol 1