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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 0.10674 66.1 26.1 0.1182164 0.5142642 0.8494452 -0.8591732 -0.3759096 0.3471504 0.4978417 -0.7708594 0.3974033 1.6141 -0.73656 -67.637
seed 0
mol 1
atom 1 - C ** - -0.1224465 0.699 0.6213 -0.0385 3 2 d 6 s 39 s
atom 2 - C ** - -0.08959055 1.1955 1.8469 -0.3316 3 1 d 3 s 16 s
atom 3 - C ** - 0.02948022 2.7038 2.031699 -0.2492 4 2 s 4 s 25 s 26 s
atom 4 - C ** - 0.1204896 3.1832 0.9701 -1.2735 4 3 s 5 s 7 s 8 s
atom 5 - C ** - -0.2007384 2.9972 -0.4021 -0.5942 2 4 s 6 s
atom 6 - C ** - 0.1342266 1.5923 -0.6162 0.0101 3 1 s 5 s 17 s
atom 7 - O ** - -0.3137031 4.5858 1.1499 -1.4834 1 4 s
atom 8 - C ** - 0.06077337 2.4987 0.9741 -2.6668 3 4 s 9 s 32 s
atom 9 - C ** - -0.1050038 2.5631 2.2886 -3.4829 4 8 s 10 s 14 s 63 s
atom 10 - C ** - 0.07703447 3.3847 2.2722 -4.7874 4 9 s 11 s 28 s 61 s
atom 11 - C ** - 0.03038001 3.5976 3.6441 -5.4389 3 10 s 12 s 27 s
atom 12 - C ** - -0.1611648 2.815 4.7717 -4.7859 2 11 s 13 s
atom 13 - C ** - 0.08376718 1.3791 4.3191 -4.5412 3 12 s 14 s 33 s
atom 14 - C ** - -0.05257988 1.2281 3.1196 -3.5528 4 9 s 13 s 15 s 62 s
atom 15 - C ** - 0.2514822 0.887 3.7064 -2.1492 3 14 s 16 s 34 d
atom 16 - C ** - 0.0717988 0.3133 2.9159 -0.9564 3 2 s 15 s 35 s
atom 17 - O ** - -0.2385497 1.6231 -1.1682 1.3148 2 6 s 18 s
atom 18 - C ** - 0.3487022 2.3387 -2.2912 1.5166 3 17 s 19 s 40 d
atom 19 - C ** - 0.05500507 2.4209 -2.6209 2.9954 3 18 s 20 s 41 s
atom 20 - C ** - 0.004944563 1.0939 -3.1246 3.5658 3 19 s 21 s 22 s
atom 21 - C ** - -0.08930111 1.2153 -3.516499 5.0257 3 20 s 43 d 47 s
atom 22 - N ** - -0.05773115 0.0469 -2.1164 3.4108 2 20 s 23 s
atom 23 - C ** - 0.2959955 -1.2861 -2.4887 3.4314 3 22 s 24 s 42 d
atom 24 - C ** - -0.1544228 -2.2601 -1.537 3.3921 3 23 s 48 d 52 s
atom 25 - C ** - -0.1340871 3.1353 1.7466 1.2295 1 3 s
atom 26 - C ** - -0.1314855 3.2818 3.4671 -0.3784 1 3 s
atom 27 - O ** - -0.2631249 4.9524 3.6827 -5.0242 2 11 s 61 s
atom 28 - O ** - -0.2277942 3.1161 1.1639 -5.6158 2 10 s 29 s
atom 29 - C ** - 0.3896608 2.5572 1.2396 -6.8338 3 28 s 30 s 31 d
atom 30 - C ** - -0.1427202 2.693699 -0.0931 -7.5401 1 29 s
atom 31 - O ** - -0.3870196 2.047499 2.2129 -7.3323 1 29 d
atom 32 - O ** - -0.2493525 3.0384 -0.0858 -3.4221 2 8 s 53 s
atom 33 - O ** - -0.3408756 0.7839 4.008899 -5.8041 1 13 s
atom 34 - O ** - -0.2958374 1.0626 4.8877 -1.9342 1 15 d
atom 35 - O ** - -0.2203746 -0.1067 3.794 0.0709999 2 16 s 36 s
atom 36 - C ** - 0.3779309 -1.316 4.375199 -0.0421 3 35 s 37 s 38 d
atom 37 - C ** - -0.1326394 -1.5371 5.3152 1.1227 1 36 s
atom 38 - O ** - -0.3764091 -2.1047 4.179299 -0.9368 1 36 d
atom 39 - C ** - -0.09363079 -0.7814 0.3336 0.0956 1 1 s
atom 40 - O ** - -0.361393 2.8831 -2.9462 0.6586 1 18 d
atom 41 - O ** - -0.3050022 3.3883 -3.6534 3.1929 1 19 s
atom 42 - O ** - -0.3947611 -1.5857 -3.661 3.4674 1 23 d
atom 43 - C ** - -0.05595398 1.0866 -4.8538 5.4214 2 21 d 44 s
atom 44 - C ** - -0.1047711 1.1931 -5.2226 6.764 2 43 s 45 d
atom 45 - C ** - -0.09409285 1.4317 -4.2521 7.7378 2 44 d 46 s
atom 46 - C ** - -0.1057439 1.5621 -2.9151 7.3592 2 45 s 47 d
atom 47 - C ** - -0.09465027 1.4536 -2.5541 6.0142 2 21 s 46 d
atom 48 - C ** - -0.01811218 -3.6003 -1.9351 3.2937 2 24 d 49 s
atom 49 - C ** - -0.124485 -4.6179 -0.9792 3.2539 2 48 s 50 d
atom 50 - C ** - -0.06594849 -4.305 0.3793 3.3157 2 49 d 51 s
atom 51 - C ** - -0.1243382 -2.9716 0.7787 3.4179 2 50 s 52 d
atom 52 - C ** - -0.0745182 -1.9495 -0.1733 3.4577 2 24 s 51 d
atom 53 - C ** - 0.4388289 2.4398 -1.1342 -4.0552 3 32 s 54 s 60 d
atom 54 - C ** - -0.1527557 1.1714 -1.66 -4.0946 3 53 s 55 d 59 s
atom 55 - C ** - -0.02109194 0.9214 -2.7403 -4.9634 2 54 d 56 s
atom 56 - C ** - -0.124352 -0.3399 -3.3322 -5.0778 2 55 s 57 d
atom 57 - C ** - -0.05195761 -1.4093 -2.8729 -4.3134 2 56 d 58 s
atom 58 - C ** - -0.124795 -1.1862 -1.8246 -3.4257 2 57 s 59 d
atom 59 - C ** - -0.0782733 0.0812 -1.2445 -3.3219 2 54 s 58 d
atom 60 - O ** - -0.3584652 3.2581 -1.7252 -4.7284 1 53 d
atom 61 - C ** - 0.01905274 4.9128 2.33 -4.6051 2 10 s 27 s
atom 62 - C ** - -0.1271992 0.0127 2.2949 -4.037099 1 14 s
atom 63 - H ** - 0.1014308 3.2337 2.9243 -2.8842 1 9 s
endmol 1