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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 0.28146 55 15 -0.02198916 0.39897 0.9167003 -0.2633303 0.8822326 -0.3902855 -0.9644551 -0.249977 0.08566133 -0.50873 -0.2651 -55.468
seed 0
mol 1
atom 1 - O ** - -0.2003813 -0.1230991 0.1927968 2.684655 2 7 s 12 s
atom 2 - O ** - -0.598382 -1.398427 0.2516817 -3.535378 1 5 d
atom 3 - O ** - -0.6018262 0.5215289 -0.6385785 -3.576081 1 5 d
atom 4 - N ** - 0.09234428 1.71691 -1.568874 1.265329 1 6 s
atom 5 - N ** - 1.304069 -0.4272673 -0.1964757 -2.956276 3 2 d 3 d 8 s
atom 6 - C ** - -0.1192594 0.7589731 -0.7467744 0.6029258 3 4 s 7 d 9 s
atom 7 - C ** - 0.06320763 -0.2148877 -0.002826279 1.308006 3 1 s 6 d 10 s
atom 8 - C ** - -0.3874307 -0.3887494 -0.1879262 -1.460045 3 5 s 9 d 11 s
atom 9 - C ** - -0.05058908 0.6829653 -0.7895389 -0.7948631 2 6 s 8 d
atom 10 - C ** - -0.1063194 -1.331767 0.5143032 0.6464972 2 7 s 11 d
atom 11 - C ** - -0.034513 -1.423313 0.4150412 -0.7357956 2 8 s 10 d
atom 12 - C ** - 0.0527153 0.9174949 1.091797 3.02291 1 1 s
endmol 1