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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 0.13237 55 15 0.1477225 -0.001138865 -0.9890282 0.9825041 0.1148459 0.1466158 0.1134189 -0.9933827 0.01808427 0.69961 -0.14968 -54.552
seed 0
mol 1
atom 1 - S ** - 2.265178 -1.838748 0.1597341 2.380947 4 2 s 3 s 14 d 15 d
atom 2 - C ** - -0.478899 -2.466365 1.749935 1.722068 3 1 s 4 s 16 s
atom 3 - C ** - -0.7412276 -0.7981389 -0.1932065 0.9847461 3 1 s 6 d 7 s
atom 4 - C ** - -0.0931797 -1.301663 2.707268 1.454628 2 2 s 5 s
atom 5 - C ** - 0.004788637 -0.4768856 2.259781 0.2262721 3 4 s 6 s 17 s
atom 6 - C ** - -0.04644108 -0.2644657 0.7649943 0.139093 3 3 d 5 s 8 s
atom 7 - S ** - 0.5437002 -0.30321 -1.760179 0.548269 2 3 s 9 s
atom 8 - C ** - -0.01220655 0.5747821 0.1719212 -0.8642347 2 6 s 9 d
atom 9 - C ** - -0.7506499 0.6825788 -1.199272 -0.7367453 3 7 s 8 d 10 s
atom 10 - S ** - 2.256732 1.803554 -2.301515 -1.578935 4 9 s 11 d 12 d 13 s
atom 11 - O ** - -0.8038321 3.142065 -2.120003 -1.053997 1 10 d
atom 12 - O ** - -0.8433647 1.227211 -3.636187 -1.608953 1 10 d
atom 13 - N ** - -0.43223 1.814455 -1.730515 -3.238834 1 10 s
atom 14 - O ** - -0.8138299 -2.917331 -0.8167015 2.469427 1 1 d
atom 15 - O ** - -0.8122478 -1.023978 0.3798059 3.570452 1 1 d
atom 16 - C ** - -0.08845043 -3.535268 2.295912 2.65561 1 2 s
atom 17 - N ** - -0.1071978 0.8621724 2.898623 -0.007382272 2 5 s 18 s
atom 18 - C ** - -0.06848621 1.306804 4.168257 0.6153954 2 17 s 19 s
atom 19 - C ** - -0.134006 2.614578 3.998829 1.377298 1 18 s
endmol 1