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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 0.1058 55 15 0.6808404 0.7320609 0.02330502 0.6579903 -0.6253092 0.4195679 0.3217221 -0.2703243 -0.9074248 -0.33227 0.14403 -55.23
seed -1111
mol 1
atom 1 - C ** - 0 -3.2163 0.0288 -0.0057 2 2 s 6 d
atom 2 - C ** - 0 -3.1037 1.403 0.00239999 3 1 s 3 d 24 s
atom 3 - C ** - 0 -2.0353 1.9492 -0.0242 2 2 d 4 s
atom 4 - C ** - 0 -1.0307 1.0992 0.0046 2 3 s 5 d
atom 5 - C ** - 0 -1.1926 0.1597 0.2149 3 4 d 6 s 7 s
atom 6 - C ** - 0 -2.4953 -0.6734 -0.0121 2 1 d 5 s
atom 7 - C ** - 0 1.0499 -0.8587 0.2616 3 5 s 8 s 14 d
atom 8 - C ** - 0 1.5353 -2.6418 0.3444 3 7 s 9 s 13 d
atom 9 - C ** - 0 2.1218 -3.4066 0.1831 2 8 s 10 d
atom 10 - C ** - 0 1.9622 -4.4337 -0.018 2 9 d 11 s
atom 11 - C ** - 0 0.6648 -5.0332 -0.0063 2 10 s 12 d
atom 12 - C ** - 0 -0.6896 -4.0476 0.0218 2 11 d 13 s
atom 13 - C ** - 0 -1.1618 -0.4381 -0.0467 3 8 d 12 s 25 s
atom 14 - C ** - 0 2.668 -0.0612 0.254699 3 7 d 15 s 21 s
atom 15 - C ** - 0 2.1515 1.6098 -0.058 3 14 s 16 d 20 s
atom 16 - C ** - 0 3.1952 2.2526 -0.0764 2 15 d 17 s
atom 17 - C ** - 0 3.0998 3.5542 -0.0055 2 16 s 18 d
atom 18 - C ** - 0 1.859999 4.2499 0.0021 3 17 d 19 s 23 s
atom 19 - C ** - 0 0.8546 3.6567 0.0049 2 18 s 20 d
atom 20 - C ** - 0 0.9535 2.5094 -0.0296 2 15 s 19 d
atom 21 - C ** - 0 3.8594 -0.7016 -0.0336 2 14 s 22 t
atom 22 - N ** - 0 4.8083 -1.2105 -0.0241 1 21 t
atom 23 - O ** - 0 1.8439 5.817 0.0254 1 18 s
atom 24 - O ** - 0 -4.3998 2.212 0.0014 1 2 s
atom 25 - H ** - 0 -1.163 -0.4359 -0.0471 1 13 s
endmol 1