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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 0.19997 55 15 0.7019142 0.2243094 -0.6760191 0.03943657 0.9354213 0.3513286 0.7111689 -0.2732624 0.6477395 -0.10752 0.30128 -54.683
seed 0
mol 1
atom 1 - C ** - 0.2163351 -0.99015 -1.184504 -3.195851 3 2 d 3 s 5 s
atom 2 - O ** - -0.3828373 -1.033443 -1.497839 -4.383289 1 1 d
atom 3 - N ** - 0.00457859 0.2560058 -0.5721374 -2.89327 2 1 s 4 s
atom 4 - C ** - -0.01453018 0.9294578 -0.3118821 -1.643463 3 3 s 6 d 10 s
atom 5 - C ** - -0.07395935 -2.261739 -1.347621 -2.363356 2 1 s 15 s
atom 6 - C ** - -0.1364536 1.373035 0.9997155 -1.410068 2 4 d 7 s
atom 7 - C ** - 0.01347971 1.912329 1.343851 -0.1779715 2 6 s 8 d
atom 8 - C ** - -0.5511332 2.034546 0.3996081 0.8485726 3 7 d 9 s 11 s
atom 9 - C ** - 0.01137519 1.770435 -0.9352757 0.5341584 2 8 s 10 d
atom 10 - C ** - -0.1556115 1.225827 -1.296085 -0.6966564 2 4 s 9 d
atom 11 - S ** - 2.224923 2.438485 0.9242408 2.514141 4 8 s 12 s 13 d 14 d
atom 12 - N ** - -0.4504337 1.07438 0.2639497 3.399406 1 11 s
atom 13 - O ** - -0.8450022 3.631946 0.2441258 2.989819 1 11 d
atom 14 - O ** - -0.8213625 2.345034 2.375953 2.627614 1 11 d
atom 15 - N ** - -0.05874729 -2.292202 -1.189364 -0.9040728 3 5 s 16 s 20 s
atom 16 - C ** - -0.109273 -2.059232 0.2053891 -0.4535655 2 15 s 17 s
atom 17 - C ** - 0.03376317 -1.464638 0.324562 0.9459157 2 16 s 18 s
atom 18 - O ** - -0.2357831 -1.716294 -0.7823271 1.781678 2 17 s 19 s
atom 19 - C ** - 0.04669809 -1.286314 -2.0245 1.274773 2 18 s 20 s
atom 20 - C ** - -0.1096849 -1.657658 -2.317463 -0.1793644 2 15 s 19 s
endmol 1