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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 0.095307 65.8 25.8 -0.7060697 0.5665739 -0.4248054 0.6891489 0.6877685 -0.2281409 0.1629092 -0.4538375 -0.8760663 1.6914 -1.4583 -67.816
seed 0
mol 1
atom 1 - C ** - -3.999996 1.3287 0.9374 -0.1681 3 2 d 6 s 36 s
atom 2 - C ** - -3.999992 1.039099 2.1801 -1.057 3 1 d 3 s 16 s
atom 3 - C ** - -4 2.079699 3.2121 -1.3982 4 2 s 4 s 25 s 26 s
atom 4 - C ** - -4 3.0412 0.4436 -3.1279 4 3 s 5 s 7 s 8 s
atom 5 - C ** - -4 3.1212 -1.537799 -2.4063 2 4 s 6 s
atom 6 - C ** - -4 2.254 -0.9908 -0.7229 3 1 s 5 s 17 s
atom 7 - O ** - -2 4.8876 0.3034 -3.2347 1 4 s
atom 8 - C ** - -4 2.4648 0.6002 -4.159 3 4 s 9 s 32 s
atom 9 - C ** - -4 2.972 2.4448 -3.9104 3 8 s 10 s 14 s
atom 10 - C ** - -4 5.0628 3.1256 -4.1253 4 9 s 11 s 28 s 58 s
atom 11 - C ** - -4 4.6821 4.9141 -4.915599 3 10 s 12 s 27 s
atom 12 - C ** - -4 3.5716 6.3456 -3.633499 2 11 s 13 s
atom 13 - C ** - -4 1.1304 5.3987 -3.7608 3 12 s 14 s 33 s
atom 14 - C ** - -4 1.1716 3.2793 -4.624 4 9 s 13 s 15 s 59 s
atom 15 - C ** - -3.951757 -0.641 3.0601 -3.0078 3 14 s 16 s 34 d
atom 16 - C ** - -3.994252 -0.5038 2.4714 -1.3566 3 2 s 15 s 35 s
atom 17 - O ** - -1.999989 3.3701 -1.6151 0.5542 2 6 s 18 s
atom 18 - C ** - -3.996799 2.9384 -2.8605 1.3672 3 17 s 19 s 37 d
atom 19 - C ** - 2.073657 2.989 -2.7221 3.0121 3 18 s 20 s 38 s
atom 20 - C ** - 3.999122 1.6478 -3.4319 3.6967 3 19 s 21 s 22 s
atom 21 - C ** - 3.999996 1.725 -3.8924 5.4252 3 20 s 40 d 44 s
atom 22 - N ** - 4.999975 0.3299 -2.4253 3.532499 2 20 s 23 s
atom 23 - C ** - 3.999999 -1.0996 -2.9413 3.2618 3 22 s 24 s 39 d
atom 24 - C ** - 3.999998 -2.3512 -1.8516 3.289 3 23 s 45 d 49 s
atom 25 - C ** - -4 1.1587 4.3249 0.8375 1 3 s
atom 26 - C ** - -4 2.5463 4.6202 -1.7602 1 3 s
atom 27 - O ** - -2 5.9935 5.3295 -4.5153 2 11 s 58 s
atom 28 - O ** - -2 5.7263 1.5485 -5.5262 2 10 s 29 s
atom 29 - C ** - -4 4.462 0.2215 -6.6916 3 28 s 30 s 31 d
atom 30 - C ** - -4 3.8941 -1.835799 -6.1492 1 29 s
atom 31 - O ** - -2 3.8173 0.734 -7.6944 1 29 d
atom 32 - O ** - -1.99998 -0.4298 0.0198 -3.7567 2 8 s 50 s
atom 33 - O ** - -2 -0.3693 6.4449 -4.4813 1 13 s
atom 34 - O ** - 3.951674 -1.7949 3.548 -3.242 1 15 d
atom 35 - O ** - 3.994417 -1.4768 1.178 -1.2441 1 16 s
atom 36 - C ** - -3.999892 0.2235 1.497 1.388 1 1 s
atom 37 - O ** - -1.999937 2.5379 -4.0153 0.7325 1 18 d
atom 38 - O ** - 5.972541 4.3364 -3.4499 3.4598 1 19 s
atom 39 - O ** - 6 -1.3406 -4.2658 3.0712 1 23 d
atom 40 - C ** - 4 0.7813 -4.9469 5.8701 2 21 d 41 s
atom 41 - C ** - 4 0.296 -4.9867 7.3115 2 40 s 42 d
atom 42 - C ** - 4 1.234999 -4.685 8.4713 2 41 d 43 s
atom 43 - C ** - 4 2.5991 -4.0453 8.1746 2 42 s 44 d
atom 44 - C ** - 3.999999 2.8982 -3.354 6.5988 2 21 s 43 d
atom 45 - C ** - 4 -3.8643 -2.314 3.5137 2 24 d 46 s
atom 46 - C ** - 4 -5.0541 -1.3795 3.2751 2 45 s 47 d
atom 47 - C ** - 4 -4.843 -0.0228 2.8445 2 46 d 48 s
atom 48 - C ** - 3.999989 -3.5505 0.513599 2.7281 2 47 s 49 d
atom 49 - C ** - 3.999935 -2.2909 -0.3382 3.0206 2 24 s 48 d
atom 50 - C ** - 3.99999 -3.4438 -0.3504 -4.2337 3 32 s 51 s 57 d
atom 51 - C ** - 4 -7.221 1.5351 -3.6833 3 50 s 52 d 56 s
atom 52 - C ** - 4 -7.4028 1.753299 -4.0964 2 51 d 53 s
atom 53 - C ** - 4 -5.9554 1.8033 -4.5451 2 52 s 54 d
atom 54 - C ** - 4 -4.8327 1.3056 -2.953 2 53 d 55 s
atom 55 - C ** - 4 -5.3771 0.2541 -1.5448 2 54 s 56 d
atom 56 - C ** - 4 -6.7833 0.2347 -1.6189 2 51 s 55 d
atom 57 - O ** - 6 -3.5749 -1.6944 -4.6486 1 50 d
atom 58 - C ** - -4 5.9757 3.9256 -3.0558 2 10 s 27 s
atom 59 - C ** - -4 1.1677 2.7127 -6.2556 1 14 s
endmol 1