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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 0.15771 55 15 0.3914114 -0.1480276 -0.9082318 0.384328 0.9230717 0.01518364 0.8361155 -0.355002 0.418192 0.78291 -0.25945 -55.7
seed 0
mol 1
atom 1 - C ** - 0.2950912 -2.544447 -2.11703 -1.506131 3 2 d 3 s 13 s
atom 2 - O ** - -0.3141413 -3.534096 -2.811515 -1.591073 1 1 d
atom 3 - N ** - 0.1185513 -1.31836 -2.904084 -1.35208 2 1 s 4 s
atom 4 - C ** - -0.2018704 -0.03192336 -2.393556 -1.394352 3 3 s 5 d 8 s
atom 5 - N ** - -0.1848049 0.1406498 -1.093324 -1.815474 2 4 d 6 s
atom 6 - N ** - 0.1100836 1.379414 -0.6804013 -1.750126 2 5 s 7 d
atom 7 - C ** - -0.7973862 2.267683 -1.592121 -1.314027 3 6 d 8 s 9 s
atom 8 - S ** - 0.3897538 1.504039 -3.130395 -0.9320264 2 4 s 7 s
atom 9 - S ** - 2.284079 3.982761 -1.059397 -1.246828 4 7 s 10 s 11 d 12 d
atom 10 - N ** - -0.4370914 3.917531 -0.1574844 0.2596877 1 9 s
atom 11 - O ** - -0.8064685 4.860193 -2.190746 -1.083338 1 9 d
atom 12 - O ** - -0.8249207 4.25109 -0.1193604 -2.311092 1 9 d
atom 13 - C ** - -0.1786389 -2.483378 -0.6152855 -1.567456 2 1 s 14 s
atom 14 - C ** - -0.08211899 -3.306844 0.1245922 -0.5357498 2 13 s 15 s
atom 15 - N ** - -0.06984997 -3.353304 -0.4852632 0.8331656 3 14 s 16 s 18 s
atom 16 - C ** - -0.09644032 -4.614763 -0.05761188 1.499157 2 15 s 17 s
atom 17 - C ** - -0.1005425 -4.6308 1.443336 1.820549 2 16 s 20 s
atom 18 - C ** - -0.08934021 -2.239865 -0.1375633 1.761891 2 15 s 19 s
atom 19 - C ** - -0.10183 -2.047869 1.36797 1.886998 2 18 s 20 s
atom 20 - N ** - -0.07807636 -3.317899 2.163174 1.917191 3 17 s 19 s 21 s
atom 21 - C ** - -0.09714508 -3.236531 3.282351 0.9434206 1 20 s
endmol 1