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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 0.11607 69.25 29.25 0.3532219 -0.1071599 -0.9293821 0.1092478 0.9913463 -0.07278369 0.929139 -0.07582416 0.3618722 -0.1233 0.67885 -69.454
seed 0
mol 1
atom 1 - C ** - -0.09885597 -0.2197 -3.8709 4.9229 3 2 d 6 s 7 s
atom 2 - C ** - -0.222043 -0.4428 -2.547 4 3 1 d 3 s 16 s
atom 3 - C ** - 0.06579804 0.8325 -1.2329 3.8621 4 2 s 4 s 18 s 19 s
atom 4 - C ** - -0.06980705 2.025599 -2.5617 2.866 3 3 s 5 s 8 s
atom 5 - C ** - -0.03224754 2.0846 -4.6593 3.2781 2 4 s 6 s
atom 6 - C ** - 0.2685251 1.5596 -4.5729 5.2098 3 1 s 5 s 29 s
atom 7 - C ** - -0.03065157 -1.7173 -4.4058 5.6402 1 1 s
atom 8 - C ** - -0.08773136 3.3737 -1.769 2.553 2 4 s 9 s
atom 9 - C ** - -0.09587717 2.3192 -0.4485 1.5684 3 8 s 10 s 14 s
atom 10 - C ** - -0.1416831 2.9433 0.4563 0.4464 3 9 s 11 s 23 d
atom 11 - C ** - 0.1442509 1.9536 1.9261 0.3785 3 10 s 12 s 30 s
atom 12 - C ** - -0.112535 0.0664 1.839799 0.4149 2 11 s 13 s
atom 13 - C ** - 0.0873189 -0.3987 0.2463 0.0073 3 12 s 14 s 44 s
atom 14 - C ** - 0.1529026 0.4967 -0.9642 0.8477 4 9 s 13 s 15 s 24 s
atom 15 - C ** - 0.01719141 -1.3556 -0.7967 2.3954 3 14 s 16 s 25 s
atom 16 - C ** - 0.1534052 -1.817699 -2.1383 3.1311 3 2 s 15 s 17 s
atom 17 - O ** - -0.3272305 -2.2941 -3.1422 2.0994 2 16 s 20 s
atom 18 - C ** - -0.1027274 0.7459 -0.3381 5.5646 1 3 s
atom 19 - C ** - -0.1426444 0.621 0.8228 3.0235 2 3 s 48 s
atom 20 - C ** - 0.3737202 -3.3519 -2.9834 0.9369 3 17 s 21 s 22 d
atom 21 - C ** - -0.09681511 -4.518 -1.8934 0.6678 1 20 s
atom 22 - O ** - -0.3034382 -3.3274 -3.895 0.1206 1 20 d
atom 23 - C ** - -0.1374969 4.0564 0.1585 -0.3817 1 10 d
atom 24 - C ** - -0.0447855 1.4041 -2.3532 -0.4374 1 14 s
atom 25 - O ** - -0.428617 -2.5888 0.3981 2.0546 2 15 s 26 s
atom 26 - C ** - 0.3481536 -3.125099 1.7588 2.9946 3 25 s 27 s 28 d
atom 27 - C ** - -0.02770901 -4.5954 2.6505 3.2168 1 26 s
atom 28 - O ** - -0.3318796 -2.2482 2.3255 3.594999 1 26 d
atom 29 - O ** - -0.4602222 1.9439 -6.1843 6.5346 2 6 s 31 s
atom 30 - O ** - -0.2867208 2.3546 2.4764 -0.8684 2 11 s 34 s
atom 31 - C ** - 0.3216107 3.1487 -7.1056 8.0959 3 29 s 32 s 33 d
atom 32 - C ** - 0.01547408 3.5833 -7.3948 10.10469 1 31 s
atom 33 - O ** - -0.2764034 3.9096 -7.9022 7.5504 1 31 d
atom 34 - C ** - 0.4316845 1.4723 3.3367 -1.5625 3 30 s 35 s 43 d
atom 35 - C ** - -0.1918945 1.3236 3.1445 -3.0476 2 34 s 36 d
atom 36 - C ** - -0.01526785 1.0906 4.2839 -3.7169 2 35 d 37 s
atom 37 - C ** - -0.06921101 1.272 4.6094 -5.192 3 36 s 38 d 42 s
atom 38 - C ** - -0.08801174 0.6438 5.8057 -5.5783 2 37 d 39 s
atom 39 - C ** - -0.1067753 0.2442 5.9967 -6.9366 2 38 s 40 d
atom 40 - C ** - -0.09015989 0.3829 4.9456 -7.8463 2 39 d 41 s
atom 41 - C ** - -0.1086426 1.238 3.8491 -7.5312 2 40 s 42 d
atom 42 - C ** - -0.07269001 1.7866 3.7403 -6.2112 2 37 s 41 d
atom 43 - O ** - -0.3654685 0.9605 4.2828 -1.006999 1 34 d
atom 44 - O ** - -0.4240246 -0.5294 -0.0462 -1.6334 2 13 s 45 s
atom 45 - C ** - 0.3955548 -1.0817 -1.2242 -2.6505 3 44 s 46 s 47 d
atom 46 - C ** - -0.09807014 -0.4884 -1.2064 -4.104199 1 45 s
atom 47 - O ** - -0.3108444 -1.863999 -2.1353 -2.3728 1 45 d
atom 48 - H ** - 0.07275462 -0.226 1.3083 3.4768 1 19 s
endmol 1