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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 0.10117 55 15 0.6902006 0.1827259 -0.7001673 0.6318841 0.319325 0.7062252 0.3526266 -0.9298617 0.1049367 -0.61248 0.58088 -55.252
seed -1111
mol 1
atom 1 - C ** - 0 -2.6767 1.723199 1.2044 2 2 s 6 d
atom 2 - C ** - 0 -2.9449 2.8832 0.4801 3 1 s 3 d 23 s
atom 3 - C ** - 0 -1.9655 3.3822 -0.3773 2 2 d 4 s
atom 4 - C ** - 0 -0.7383 2.7272 -0.5002 2 3 s 5 d
atom 5 - C ** - 0 -0.4305 1.5624 0.2244 3 4 d 6 s 7 s
atom 6 - C ** - 0 -1.4449 1.0798 1.0698 2 1 d 5 s
atom 7 - C ** - 0 0.7584 0.923 0.0846 3 5 s 8 s 14 d
atom 8 - C ** - 0 0.7557 -0.4363 0.1372 3 7 s 9 s 13 d
atom 9 - C ** - 0 1.8615 -1.1856 0.5731 2 8 s 10 d
atom 10 - C ** - 0 1.8557 -2.581 0.6188 2 9 d 11 s
atom 11 - C ** - 0 0.7349 -3.3149 0.2282 3 10 s 12 d 24 s
atom 12 - C ** - 0 -0.382 -2.5963 -0.205 2 11 d 13 s
atom 13 - C ** - 0 -0.3624 -1.2 -0.2425 2 8 d 12 s
atom 14 - C ** - 0 1.8987 1.6032 -0.2099 3 7 d 15 s 21 s
atom 15 - C ** - 0 2.2042 2.9 0.0553 3 14 s 16 d 20 s
atom 16 - C ** - 0 3.3629 3.508 -0.4659 2 15 d 17 s
atom 17 - C ** - 0 3.7055 4.838 -0.2114 2 16 s 18 d
atom 18 - C ** - 0 2.9087 5.6223 0.6188 2 17 d 19 s
atom 19 - C ** - 0 1.7908 5.0384 1.2096 2 18 s 20 d
atom 20 - C ** - 0 1.468 3.705899 0.9426 2 15 s 19 d
atom 21 - C ** - 0 2.8507 0.9217 -0.8218 2 14 s 22 t
atom 22 - N ** - 0 3.6815 0.3366 -1.3796 1 21 t
atom 23 - O ** - 0 -4.0934 3.4826 0.6029 1 2 s
atom 24 - O ** - 0 0.8134 -4.6172 0.299 2 11 s 25 s
atom 25 - C ** - 0 -0.2738 -5.4476 -0.0758 1 24 s
endmol 1