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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 0.13306 60.85 20.85 0.1525916 -0.02726439 -0.9879132 0.4913826 0.8693958 0.05190468 0.8574724 -0.4933635 0.1460598 0.86713 -0.685 -61.421
seed 0
mol 1
atom 1 - S ** - 2.206167 0.9338427 0.7663847 -5.772057 4 2 d 3 d 4 s 5 s
atom 2 - O ** - -0.8304119 2.134888 1.52108 -5.402509 1 1 d
atom 3 - O ** - -0.8492532 -0.04144016 1.39308 -6.665943 1 1 d
atom 4 - N ** - -0.4417334 1.493048 -0.6776403 -6.601465 1 1 s
atom 5 - C ** - -0.5724678 0.1127606 0.127998 -4.32812 3 1 s 6 d 10 s
atom 6 - C ** - 0.03760338 -1.007968 -0.7056127 -4.396832 2 5 d 7 s
atom 7 - C ** - -0.1750751 -1.697464 -1.094027 -3.253735 2 6 s 8 d
atom 8 - C ** - 0.01421309 -1.295815 -0.6246879 -1.98957 3 7 d 9 s 11 s
atom 9 - C ** - -0.1607618 -0.1501583 0.1790283 -1.911403 2 8 s 10 d
atom 10 - C ** - 0.02838039 0.5405003 0.5343437 -3.060093 2 5 s 9 d
atom 11 - N ** - -0.01106358 -2.127615 -0.8330451 -0.836768 2 8 s 12 s
atom 12 - C ** - 0.2581973 -1.582418 -0.8257151 0.535544 3 11 s 13 s 16 d
atom 13 - C ** - -0.1184492 -2.417611 -0.1192218 1.595716 2 12 s 14 s
atom 14 - C ** - -0.1186275 -2.578218 -0.8929709 2.904959 2 13 s 15 s
atom 15 - C ** - -0.06864452 -2.675239 -0.01385109 4.160378 2 14 s 17 s
atom 16 - O ** - -0.3112612 -0.4955857 -1.319751 0.7469221 1 12 d
atom 17 - N ** - -0.09217691 -1.477552 0.2524289 4.997435 3 15 s 18 s 22 s
atom 18 - C ** - -0.1000471 -0.7405306 1.511344 4.667691 2 17 s 19 s
atom 19 - C ** - 0.05330467 0.5906915 1.545586 5.424907 2 18 s 20 s
atom 20 - O ** - -0.2655454 1.476471 0.509882 5.018837 2 19 s 21 s
atom 21 - C ** - 0.03206086 0.7944564 -0.6280875 4.512973 2 20 s 22 s
atom 22 - C ** - -0.1065235 -0.5275635 -0.8693845 5.249071 2 17 s 21 s
endmol 1