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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 0.10854 55 15 1 0 0 0 1 0 0 0 1 -0.0184 -0.0491 -55.051
seed -1111
mol 1
atom 1 - C ** - 0 -3.158 1.388199 -0.0367 2 2 s 6 d
atom 2 - C ** - 0 -3.0493 2.3581 -0.0063 3 1 s 3 d 23 s
atom 3 - C ** - 0 -1.8291 2.8917 0.0243 2 2 d 4 s
atom 4 - C ** - 0 -0.9373 2.2771 -0.024 2 3 s 5 d
atom 5 - C ** - 0 -0.8795 1.263199 -0.1217 3 4 d 6 s 7 s
atom 6 - C ** - 0 -2.2576 1.018699 -0.1891 2 1 d 5 s
atom 7 - C ** - 0 0.5142 0.7733 -0.1594 3 5 s 8 s 14 d
atom 8 - C ** - 0 1.7121 -1.445 0.146 3 7 s 9 s 13 d
atom 9 - C ** - 0 2.4487 -2.2247 0.1357 2 8 s 10 d
atom 10 - C ** - 0 2.1357 -3.524 0.045 2 9 d 11 s
atom 11 - C ** - 0 0.7873 -3.9446 0.0246 3 10 s 12 d 24 s
atom 12 - C ** - 0 -0.5454 -2.7721 0.0006 2 11 d 13 s
atom 13 - C ** - 0 -1.0022 -0.698 -0.0208999 2 8 d 12 s
atom 14 - C ** - 0 2.2732 1.1595 -0.0626 3 7 d 15 s 21 s
atom 15 - C ** - 0 3.1188 2.4399 -0.0109 3 14 s 16 d 20 s
atom 16 - C ** - 0 3.7714 3.1477 -0.0272 2 15 d 17 s
atom 17 - C ** - 0 3.3736 4.4184 -0.0074 2 16 s 18 d
atom 18 - C ** - 0 2.0914 5.042 0.0034 2 17 d 19 s
atom 19 - C ** - 0 1.1724 4.4303 0.0065 2 18 s 20 d
atom 20 - C ** - 0 1.708 3.1951 0.0162999 2 15 s 19 d
atom 21 - C ** - 0 3.6527 0.2601 -0.0411 2 14 s 22 t
atom 22 - N ** - 0 4.6317 -0.3169 -0.0264 1 21 t
atom 23 - O ** - 0 -4.1675 3.0555 0.0074 2 2 s 25 s
atom 24 - O ** - 0 0.7566 -5.4314 0.0059 1 11 s
atom 25 - C ** - 0 -3.914 4.47 0.0295 1 23 s
endmol 1