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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 0.39918 55 15 0.7742285 -0.04147666 0.6315457 -0.2414448 0.9030317 0.3553001 -0.5850424 -0.4275669 0.6891385 0.087589 -0.004732 -55.046
seed 0
mol 1
atom 1 - O ** - -0.2621708 1.114129 -0.6101954 -3.43558 1 12 s
atom 2 - O ** - -0.3202019 -0.8034595 0.2604459 -3.539941 1 12 d
atom 3 - O ** - -0.587584 -1.078556 0.6419774 3.582304 1 5 d
atom 4 - O ** - -0.5923409 0.7852571 -0.3642935 3.64692 1 5 d
atom 5 - N ** - 1.301939 -0.1365284 0.1209805 3.021962 3 3 d 4 d 7 s
atom 6 - C ** - -0.09474802 0.001822973 -0.0293372 -1.271546 3 8 d 9 s 12 s
atom 7 - C ** - -0.3816752 -0.1011871 0.07359876 1.519251 3 5 s 10 d 11 s
atom 8 - C ** - -0.0577507 -1.093059 0.5530041 -0.6333663 2 6 d 10 s
atom 9 - C ** - -0.1009421 1.045985 -0.5545958 -0.5092847 2 6 s 11 d
atom 10 - C ** - -0.01331615 -1.143783 0.6126756 0.7584326 2 7 d 8 s
atom 11 - C ** - -0.01519775 0.9957011 -0.5145942 0.8760269 2 7 s 9 d
atom 12 - C ** - 0.3957093 0.05491265 -0.09903373 -2.763572 3 1 s 2 d 6 s
endmol 1