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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 0.1024 65.5 25.5 -0.965842 0.1991311 -0.1658191 0.2376228 0.9358551 -0.2602126 0.1033662 -0.2907267 -0.9512063 1.8475 -0.68607 -67.16
seed 0
mol 1
atom 1 - C ** - -0.201427 0.6087 0.6584 0.0266 3 2 d 6 s 36 s
atom 2 - C ** - -0.2233438 0.2626 1.944999 -0.5292 3 1 d 3 s 16 s
atom 3 - C ** - 0.1655924 1.6172 2.7339 -0.8231 4 2 s 4 s 25 s 26 s
atom 4 - C ** - 0.1539302 3.2558 1.2688 -1.9564 4 3 s 5 s 7 s 8 s
atom 5 - C ** - -0.1786351 3.2294 -0.3346 -1.503099 2 4 s 6 s
atom 6 - C ** - 0.2747016 1.9381 -0.658 -0.3325 3 1 s 5 s 17 s
atom 7 - O ** - -0.3470554 4.6575 1.7397 -1.9315 1 4 s
atom 8 - C ** - 0.008088112 3.0973 1.1266 -3.701 3 4 s 9 s 32 s
atom 9 - C ** - -0.3806953 2.2891 2.5836 -3.626 3 8 s 10 s 14 s
atom 10 - C ** - 0.114543 3.2946 3.1239 -4.9394 4 9 s 11 s 28 s 59 s
atom 11 - C ** - 0.07743597 2.955 4.8539 -5.124 3 10 s 12 s 27 s
atom 12 - C ** - -0.06499481 1.5428 5.8083 -3.8673 2 11 s 13 s
atom 13 - C ** - -0.1046724 -0.2215 4.8068 -3.7167 3 12 s 14 s 33 s
atom 14 - C ** - 0.3776293 -0.1497 2.7858 -3.6151 4 9 s 13 s 15 s 60 s
atom 15 - C ** - 0.06732416 -1.2129 3.0525 -2.0874 3 14 s 16 s 34 d
atom 16 - C ** - 0.2618217 -1.4545 2.5933 -0.5628 3 2 s 15 s 35 s
atom 17 - O ** - -0.342135 2.5948 -1.1327 1.0461 2 6 s 18 s
atom 18 - C ** - 0.336761 1.8397 -1.680899 2.4283 3 17 s 19 s 37 d
atom 19 - C ** - 0.04688931 0.7351 -1.0661 3.2484 3 18 s 20 s 38 s
atom 20 - C ** - 0.1557198 -0.6685 -2.1754 3.5172 3 19 s 21 s 22 s
atom 21 - C ** - -0.1017017 -0.7009 -2.8769 5.1153 3 20 s 40 d 44 s
atom 22 - N ** - -0.2475619 -0.5858 -3.4193 2.4832 2 20 s 23 s
atom 23 - C ** - 0.2365651 0.6667 -4.2399 1.8417 3 22 s 24 s 39 d
atom 24 - C ** - -0.01615047 2.4238 -3.936 1.1596 3 23 s 56 s 58 s
atom 25 - C ** - -0.1563811 1.0967 3.6037 1.1125 1 3 s
atom 26 - C ** - -0.2000675 1.4365 4.3262 -1.483 1 3 s
atom 27 - O ** - -0.3220081 4.5348 5.1356 -4.7676 2 11 s 59 s
atom 28 - O ** - -0.4480653 3.3973 1.839 -6.2936 2 10 s 29 s
atom 29 - C ** - 0.3357408 2.6367 0.422 -7.2406 3 28 s 30 s 31 d
atom 30 - C ** - -0.03382111 1.9762 -1.2631 -7.1384 1 29 s
atom 31 - O ** - -0.2932706 2.5293 0.7022 -8.423 1 29 d
atom 32 - O ** - -0.3069782 2.5018 -0.1917 -4.2987 2 8 s 45 s
atom 33 - O ** - -0.3046255 -1.3838 5.3941 -4.4093 1 13 s
atom 34 - O ** - -0.364634 -2.17 3.809 -2.2627 1 15 d
atom 35 - O ** - -0.4731226 -2.8943 1.4839 -0.3836 2 16 s 53 s
atom 36 - C ** - -0.1444025 -0.5959 0.7249 1.2165 1 1 s
atom 37 - O ** - -0.2757196 2.1439 -2.6037 3.1772 1 18 d
atom 38 - O ** - -0.3211713 1.3681 -0.6537 4.4911 1 19 s
atom 39 - O ** - -0.35535 0.2707 -5.3825 1.6308 1 23 d
atom 40 - C ** - -0.09493303 -1.5007 -4.0376 5.5326 2 21 d 41 s
atom 41 - C ** - -0.111721 -1.1879 -4.6977 6.830999 2 40 s 42 d
atom 42 - C ** - -0.1090598 -0.0361 -4.3482 7.6006 2 41 d 43 s
atom 43 - C ** - -0.1085253 0.7242 -3.2933 7.1325 2 42 s 44 d
atom 44 - C ** - -0.08744431 0.211 -2.4482 6.1581 2 21 s 43 d
atom 45 - C ** - 0.3733475 1.3668 -0.7695 -3.8383 3 32 s 46 s 52 d
atom 46 - C ** - -0.1905537 0.3806 0.2849 -3.8721 3 45 s 47 d 51 s
atom 47 - C ** - 0.2584929 0.4837 1.5168 -5.4535 2 46 d 48 s
atom 48 - C ** - 0.1993923 -1.6098 2.8675 -5.8493 2 47 s 49 d
atom 49 - C ** - 0.1698639 -3.0604 2.6752 -4.568 2 48 d 50 s
atom 50 - C ** - -0.1360478 -2.8625 1.2356 -2.929599 2 49 s 51 d
atom 51 - C ** - 0.07379556 -1.341899 0.2656 -2.5904 2 46 s 50 d
atom 52 - O ** - -0.3687472 1.1925 -1.9738 -3.6064 1 45 d
atom 53 - C ** - 0.3682113 -4.3711 1.1463 0.5223 3 35 s 54 s 55 d
atom 54 - C ** - -0.01721239 -5.9158 0.4984 -0.0231 1 53 s
atom 55 - O ** - -0.2999296 -4.3194 1.2738 1.749299 1 53 d
atom 56 - C ** - -0.09995127 3.0916 -5.2848 0.4596 2 24 s 57 s
atom 57 - C ** - -0.09641838 4.437699 -5.0276 1.6553 2 56 s 58 s
atom 58 - C ** - 0.00050354 4.1989 -3.5601 2.3697 2 24 s 57 s
atom 59 - C ** - 0.07964563 5.0401 3.6666 -4.3434 2 10 s 27 s
atom 60 - C ** - -0.07289886 -1.5702 0.8729 -4.871 1 14 s
endmol 1