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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 0.11092 57.4 17.4 -0.6818523 0.1793543 -0.7091611 0.2955824 0.9543565 -0.04283303 0.6691103 -0.2388213 -0.7037441 -0.707 0.28385 -55.601
seed 0
mol 1
atom 1 - C ** - -0.1970925 1.1049 -1.5114 4.2117 3 2 s 6 d 7 s
atom 2 - C ** - 0.2070997 2.9419 -2.5995 4.3445 3 1 s 3 s 41 s
atom 3 - C ** - -0.1377568 5.4809 -1.2671 3.3582 2 2 s 4 s
atom 4 - C ** - 0.01426029 4.6871 0.228 2.724199 3 3 s 5 s 8 s
atom 5 - C ** - 0.3961835 3.5381 0.7081 4.8495 4 4 s 6 s 13 s 14 s
atom 6 - C ** - -0.2095098 1.2136 0.0654 4.2954 3 1 d 5 s 12 s
atom 7 - C ** - -0.02309704 -0.4271 -2.3948 4.0721 1 1 s
atom 8 - C ** - 0.09012341 3.5156 -0.08 0.6604 3 4 s 9 s 45 s
atom 9 - C ** - 0.03167248 2.6958 1.8923 0.505399 3 8 s 10 s 15 s
atom 10 - C ** - 0.548496 0.3568 3.1452 1.0896 4 9 s 11 s 18 s 28 s
atom 11 - C ** - 0.1211314 0.2135 2.8692 3.2092 3 10 s 12 s 33 s
atom 12 - C ** - 0.273066 -0.4663 1.2079 3.9236 3 6 s 11 s 34 s
atom 13 - C ** - -0.08472633 5.2005 3.3408 4.241 1 5 s
atom 14 - C ** - -0.2151918 3.0682 -0.5622 6.3434 1 5 s
atom 15 - C ** - 0.03498363 2.8457 1.8573 -1.3877 3 9 s 16 s 19 s
atom 16 - C ** - -0.1166954 2.689899 4.3938 -0.9654 3 15 s 17 s 24 s
atom 17 - C ** - -0.07578325 0.5529 6.5695 -1.5837 2 16 s 18 s
atom 18 - C ** - 0.1730602 -0.0882 6.0291 0.5204 3 10 s 17 s 29 s
atom 19 - C ** - 0.2654424 1.1407 0.2004 -2.8735 2 15 s 20 s
atom 20 - O ** - -0.469451 -0.7439 0.5662 -2.465 2 19 s 21 s
atom 21 - C ** - 0.3589375 -2.2383 -0.4464 -1.7278 3 20 s 22 s 23 d
atom 22 - C ** - 0.1932845 -3.5839 0.0443 -0.1796 1 21 s
atom 23 - O ** - -0.2965636 -2.4941 -1.5041 -2.2882 1 21 d
atom 24 - O ** - -0.5142126 2.5957 4.6215 0.7094 2 16 s 25 s
atom 25 - C ** - 0.3610389 1.124 4.5746 -0.4768 3 24 s 26 s 27 d
atom 26 - C ** - -0.06071806 2.2981 4.6101 -3.4203 1 25 s
atom 27 - O ** - -0.3825889 -1.4718 4.9393 1.0734 1 25 d
atom 28 - C ** - 0.1169927 -1.645 3.4427 -0.6178 1 10 s
atom 29 - O ** - -0.3388786 0.4368 5.1352 1.4244 2 18 s 30 s
atom 30 - C ** - -0.02124119 -1.4241 2.8257 0.7025 3 29 s 31 s 32 d
atom 31 - C ** - -0.3248606 -3.7809 4.4567 -0.9328 1 30 s
atom 32 - O ** - -0.4710507 -1.0749 1.2228 0.6483 1 30 d
atom 33 - O ** - -0.3563657 -1.1324 3.834 3.6551 2 11 s 35 s
atom 34 - O ** - -0.3738246 -2.118 0.6074 2.9477 2 12 s 37 s
atom 35 - C ** - 0.3333974 -1.1909 5.0344 4.7382 3 33 s 36 s 40 d
atom 36 - C ** - 0.01321054 -1.987 6.7942 4.498 1 35 s
atom 37 - C ** - 0.305191 -3.8824 0.3826 3.4975 3 34 s 38 s 39 d
atom 38 - C ** - -0.04580545 -5.611 0.9092 2.5021 1 37 s
atom 39 - O ** - -0.3803129 -4.028699 -0.3133 4.6114 1 37 d
atom 40 - O ** - -0.3632765 -0.7486 4.756299 5.8891 1 35 d
atom 41 - O ** - -0.2979221 2.3832 -3.6494 3.235999 2 2 s 42 s
atom 42 - C ** - 0.3121712 2.6827 -5.0858 3.435699 3 41 s 43 s 44 d
atom 43 - C ** - -0.04099989 1.3585 -6.2349 3.6662 1 42 s
atom 44 - O ** - -0.3910117 3.9503 -5.4857 3.4605 1 42 d
atom 45 - O ** - -0.304369 2.3596 -1.2061 0.9717 1 8 s
endmol 1