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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 0.20224 55 15 0.7914153 -0.07789842 0.6062951 -0.1896603 0.9116066 0.364695 -0.5811117 -0.4036153 0.7066851 0.54765 0.071808 -55.524
seed 0
mol 1
atom 1 - O ** - -0.2198715 -1.14861 2.212926 3.250856 1 10 s
atom 2 - O ** - -0.6103525 -1.634629 2.286462 -3.046161 1 5 d
atom 3 - O ** - -0.6021667 0.2812873 1.407111 -2.880393 1 5 d
atom 4 - N ** - -0.07522249 1.60772 -0.3530571 1.50988 2 6 s 8 s
atom 5 - N ** - 1.315168 -0.7037095 1.896231 -2.363839 3 2 d 3 d 11 s
atom 6 - C ** - -0.03598976 1.180093 0.9044799 2.186228 2 4 s 7 s
atom 7 - C ** - -0.1301308 0.1192402 1.565476 1.340191 3 6 s 9 s 10 d
atom 8 - C ** - -0.07279062 1.853842 -1.5641 2.331704 2 4 s 14 s
atom 9 - C ** - 0.04718041 0.2395266 1.554011 -0.05081055 2 7 s 11 d
atom 10 - C ** - 0.1647351 -1.036704 2.154236 1.894206 3 1 s 7 d 12 s
atom 11 - C ** - -0.4565511 -0.7910547 2.017614 -0.8786035 3 5 s 9 d 13 s
atom 12 - C ** - -0.2277417 -2.055157 2.661209 1.066448 2 10 s 13 d
atom 13 - C ** - 0.0299983 -1.943571 2.571244 -0.3079001 2 11 s 12 d
atom 14 - C ** - -0.1211548 0.7424617 -1.860722 3.31559 1 8 s
endmol 1