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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 0.14976 55 15 -0.2548593 -0.2526194 -0.9333971 0.4822599 0.8034516 -0.3491288 0.8381361 -0.5391188 -0.08293891 0.59199 0.30045 -55.524
seed 0
mol 1
atom 1 - O ** - -0.2195668 -2.40028 1.131922 -1.762575 2 17 s 18 s
atom 2 - N ** - 0.5214577 -1.887257 0.3534333 -2.999438 2 4 s 12 s
atom 3 - N ** - 0.06140327 1.387039 -1.330911 1.597009 2 5 d 11 s
atom 4 - C ** - -0.4374113 0.1059315 0.3027158 0.7439302 3 2 s 10 s 11 d
atom 5 - C ** - -0.7741203 0.1895994 -1.858514 1.893491 3 3 d 6 s 10 s
atom 6 - S ** - 2.260673 0.1346543 -3.417692 2.721881 4 5 s 7 d 8 d 9 s
atom 7 - O ** - -0.8211079 -0.2394501 -3.280487 4.121228 1 6 d
atom 8 - O ** - -0.8385987 1.286648 -4.243609 2.379314 1 6 d
atom 9 - N ** - -0.4601493 -1.227579 -4.175396 1.904185 1 6 s
atom 10 - S ** - 0.1637645 -1.108174 -0.7791403 1.384666 2 4 s 5 s
atom 11 - N ** - -0.1502581 1.336697 -0.1499766 0.9666183 2 3 s 4 d
atom 12 - C ** - 0.166652 -1.372815 1.36397 -4.068454 3 2 s 13 s 19 d
atom 13 - C ** - -0.1071272 0.04972133 1.836218 -3.84593 2 12 s 14 s
atom 14 - N ** - 0.02239323 0.5372347 1.424411 -2.514917 3 13 s 15 s 16 s
atom 15 - C ** - -0.1188602 0.5524227 -0.05686821 -2.440107 2 14 s 18 s
atom 16 - C ** - -0.3837667 -0.1123371 2.086195 -1.366574 2 14 s 17 s
atom 17 - C ** - 0.04413319 -1.628653 2.23901 -1.383302 2 1 s 16 s
atom 18 - C ** - -0.2278662 -0.8567335 -0.6637689 -2.554723 2 1 s 15 s
atom 19 - O ** - -0.2034159 -2.175283 1.66015 -4.907022 1 12 d
endmol 1