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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 0.12835 55.75 15.75 -0.07548905 0.0791898 -0.9939972 0.3427004 0.9381808 0.04871666 0.9364069 -0.3369656 -0.09796075 -0.97127 -0.22316 -54.95
seed 0
mol 1
atom 1 - C ** - -0.2367291 0.4972 -1.0729 2.775 3 2 s 6 d 7 s
atom 2 - C ** - 0.2907078 1.7268 -1.7631 3.2901 3 1 s 3 s 33 s
atom 3 - C ** - -0.2829132 3.7875 -0.1108 2.338899 2 2 s 4 s
atom 4 - C ** - 0.2663126 3.4535 1.1301 1.6303 4 3 s 5 s 8 s 41 s
atom 5 - C ** - 0.09771705 2.2453 1.5099 3.1703 4 4 s 6 s 13 s 14 s
atom 6 - C ** - -0.02899933 0.4913 0.5153 2.7849 3 1 d 5 s 12 s
atom 7 - C ** - 0.01447368 -0.632 -2.2649 2.2447 1 1 s
atom 8 - C ** - -0.0630393 2.6051 1.1501 0.3431 3 4 s 9 s 26 s
atom 9 - C ** - 0.1883984 1.9119 1.6709 -0.0675 3 8 s 10 s 15 s
atom 10 - C ** - -0.1361513 -0.3404 2.3136 0.0958 4 9 s 11 s 18 s 21 s
atom 11 - C ** - 0.2188096 -0.6207 2.8545 1.717099 3 10 s 12 s 37 s
atom 12 - C ** - -0.08589458 -0.8461 1.3228 2.6533 3 6 s 11 s 22 s
atom 13 - C ** - -0.0786252 2.081 3.9583 2.5363 1 5 s
atom 14 - C ** - -0.08942509 2.1996 0.7407 4.8885 1 5 s
atom 15 - C ** - 0.0004599094 5.5488 -1.9238 -2.6595 4 9 s 16 s 19 s 42 s
atom 16 - C ** - 0.1384506 0.8432 1.1391 -3.3714 3 15 s 17 s 20 s
atom 17 - C ** - 0.2700913 -0.6626 3.4312 -2.305 2 16 s 18 s
atom 18 - C ** - -0.07245588 -0.7901 3.6263 -0.7857 3 10 s 17 s 43 s
atom 19 - O ** - -0.5537686 1.8201 3.2343 -1.7357 2 15 s 42 s
atom 20 - O ** - -0.2666368 -0.0874 0.1371 -2.937 2 16 s 30 s
atom 21 - C ** - 0.009880304 -1.6511 1.0574 -0.5042 1 10 s
atom 22 - O ** - -0.07124662 -2.1555 0.5802 2.1942 2 12 s 23 s
atom 23 - C ** - 0.09101057 -2.8997 -0.2449 2.6573 3 22 s 24 s 25 d
atom 24 - C ** - 0.1935019 -4.5167 -1.6143 1.5177 1 23 s
atom 25 - O ** - -0.6502895 -2.8582 -0.509 4.3433 1 23 d
atom 26 - O ** - -0.3532133 3.7192 2.2382 -0.2393 2 8 s 27 s
atom 27 - C ** - 0.2223618 1.343799 -1.138199 -1.8383 3 26 s 28 s 29 d
atom 28 - C ** - 0.2987413 -2.5358 -3.9171 -0.9164 1 27 s
atom 29 - O ** - -0.0004096031 3.0751 -1.9828 -5.0258 1 27 d
atom 30 - C ** - 0.214715 -1.7017 -0.0537 -3.1501 3 20 s 31 d 32 s
atom 31 - O ** - -0.2366719 -2.1536 -1.1829 -3.1888 1 30 d
atom 32 - C ** - 0.1861496 -3.614 2.044299 -3.2203 1 30 s
atom 33 - O ** - -0.2363224 1.851 -3.0109 2.1127 2 2 s 34 s
atom 34 - C ** - 0.3000426 2.675 -3.8499 2.1274 3 33 s 35 s 36 d
atom 35 - C ** - -0.02173662 2.2179 -5.5613 1.648499 1 34 s
atom 36 - O ** - -0.5812411 4.157499 -3.594999 2.6119 1 34 d
atom 37 - O ** - -0.2897868 -2.3153 3.1528 1.849899 2 11 s 38 s
atom 38 - C ** - 0.3555689 -2.6339 3.9686 3.0955 3 37 s 39 s 40 d
atom 39 - C ** - -0.141746 -3.9426 4.967 3.2726 1 38 s
atom 40 - O ** - -0.4378624 -1.7898 3.8859 4.3702 1 38 d
atom 41 - O ** - -0.2376208 4.4815 1.6844 1.3776 1 4 s
atom 42 - C ** - 0.4048085 3.5338 2.2684 -2.3368 2 15 s 19 s
atom 43 - O ** - -0.3325577 -2.1614 4.3284 -0.5488 2 18 s 44 s
atom 44 - C ** - 0.458657 -1.9315 5.7749 0.6233 3 43 s 45 s 46 d
atom 45 - C ** - -0.1978216 -3.3681 6.1401 1.0072 1 44 s
atom 46 - O ** - -0.444047 -0.465 6.1983 1.4732 1 44 d
endmol 1