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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 0.1555 55 15 0.4887509 -0.1727968 -0.8551396 0.4451762 0.8923702 0.07411837 0.7502937 -0.4169133 0.5130718 0.67911 0.1157 -54.895
seed 0
mol 1
atom 1 - C ** - -0.5742002 -1.212599 -0.7202343 0.006791539 3 2 s 6 d 7 s
atom 2 - C ** - 0.05150437 -1.200759 0.6758338 0.01618725 2 1 s 3 d
atom 3 - C ** - -0.1989279 0.0068768 1.364809 0.008606083 3 2 d 4 s 16 s
atom 4 - C ** - -0.01513386 1.222649 0.6726156 -0.009889823 3 3 s 5 d 15 s
atom 5 - C ** - -0.5582538 1.240714 -0.7304286 -0.01737682 3 4 d 6 s 11 s
atom 6 - C ** - 0.09460711 0.01314382 -1.395222 -0.00931151 2 1 d 5 s
atom 7 - S ** - 2.224466 -2.754368 -1.634719 -0.1009795 4 1 s 8 d 9 d 10 s
atom 8 - O ** - -0.8478012 -3.617709 -1.013444 -1.094536 1 7 d
atom 9 - O ** - -0.8155794 -2.478866 -3.061854 -0.1804472 1 7 d
atom 10 - N ** - -0.4311471 -3.517227 -1.331967 1.452293 1 7 s
atom 11 - S ** - 2.220065 2.84208 -1.574912 -0.01841287 4 5 s 12 d 13 s 14 d
atom 12 - O ** - -0.8479695 3.474314 -1.351764 1.273406 1 11 d
atom 13 - N ** - -0.427299 2.436928 -3.279136 -0.08304379 1 11 s
atom 14 - O ** - -0.8029537 3.572494 -1.242104 -1.227777 1 11 d
atom 15 - Cl ** - 0.1730042 2.640167 1.558027 -0.01552511 1 4 s
atom 16 - Cl ** - 0.1241636 0.0106176 3.046301 0.01766511 1 3 s
endmol 1