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tests/regression/Filling/FillSurface/post/tensid-undo.data
rdf9f20 r4fc0ea 1 1 # ATOMDATA Id name resName chainID x=3 type neighbors=4 charge 2 2 # Box 20 0 0 0 20 0 0 0 20 3 1 NA SLES 1 8.5774 9 6.18185 23.6484 NA 0 0 0 0 14 2 S SLES 1 6.82995 9.13426 22.3915SL 3 4 5 6 1.335 3 OS1 SLES 1 7.59547 8.0028 21.4213OSL 2 7 0 0 -0.286 4 OS2 SLES 1 5.8431 7 8.40868 23.1643O2L 2 0 0 0 -0.657 5 OS3 SLES 1 7.8496 7 9.66664 23.2709O2L 2 0 0 0 -0.658 6 OS4 SLES 1 6.18974 10.2179 21.6633 O2L 2 0 0 0 -0.659 7 C2 SLES 1 7.2801 3 8.2549 19.987CC32A 3 8 9 10 -0.1110 8 H2A SLES 1 6.16671 8.27034 19.822HCA2 7 0 0 0 0.0911 9 H2B SLES 1 7.7051 2 9.25609 19.6985 HCA2 7 0 0 0 0.0912 10 C1 SLES 1 7.94351 7.10644 19.0888CC32A 7 11 12 13 -0.0113 11 H1B SLES 1 7.59106 6.10629 19.4313HCA2 10 0 0 0 0.0914 12 H1A SLES 1 9.05397 7.14679 19.1805HCA2 10 0 0 0 0.0915 13 O1 SLES 1 7.6975 2 7.06775 17.6342OC30A 10 14 0 0 -0.3416 14 C2 SLES 1 7.205 9 8.28268 17.0302CC32A 13 15 16 17 -0.0117 15 H2A SLES 1 6.2472 8.42857 17.5654HCA2 14 0 0 0 0.0918 16 H2B SLES 1 7.9365 4 9.04181 17.3897HCA2 14 0 0 0 0.0919 17 C1 SLES 1 6.97723 8.46041 15.4961CC32A 14 18 19 20 -0.0120 18 H1B SLES 1 5.93475 8.17418 15.2366HCA2 17 0 0 0 0.0921 19 H1A SLES 1 7.13174 9.52372 15.2239HCA2 17 0 0 0 0.0922 20 O1 SLES 1 7.70832 7.69954 14.4815OC30A 17 21 0 0 -0.3423 21 C1 SLES 1 7.9046 7 8.39941 13.1987CTL2 20 22 23 24 -0.1824 22 H11 SLES 1 7.27479 9.30707 13.2228HAL2 21 0 0 0 0.0925 23 H12 SLES 1 8.96908 8.70282 13.2777HAL2 21 0 0 0 0.0926 24 C2 SLES 1 7.66768 7.62565 11.8417CTL2 21 25 26 27 -0.1827 25 H21 SLES 1 7.3234 9 6.59147 12.0671HAL2 24 0 0 0 0.0928 26 H22 SLES 1 8.6325 7.55355 11.2935HAL2 24 0 0 0 0.0929 27 C3 SLES 1 6.5817 9 8.34671 10.904CTL2 24 28 29 30 -0.1830 28 H31 SLES 1 5.62383 7.78341 10.9615HAL2 27 0 0 0 0.0931 29 H32 SLES 1 6.3974 6 9.37058 11.286HAL2 27 0 0 0 0.0932 30 C4 SLES 1 7.03468 8.43723 9.38776CTL2 27 31 32 33 -0.1833 31 H41 SLES 1 6.5070 4 7.65185 8.80732HAL2 30 0 0 0 0.0934 32 H42 SLES 1 8.1258 8 8.2378 9.32029HAL2 30 0 0 0 0.0935 33 C5 SLES 1 6.7271 8 9.86165 8.73873CTL2 30 34 35 36 -0.1836 34 H51 SLES 1 5.97341 10.3901 9.36322HAL2 33 0 0 0 0.0937 35 H52 SLES 1 7.660 3 10.4701 8.7406HAL2 33 0 0 0 0.0938 36 C6 SLES 1 6.18521 9.75966 7.26317CTL2 33 37 38 39 -0.1839 37 H61 SLES 1 5.1428 9.36986 7.28565HAL2 36 0 0 0 0.0940 38 H62 SLES 1 6.160 1 10.7806 6.8153HAL2 36 0 0 0 0.0941 39 C7 SLES 1 7.05715 8.83021 6.36088CTL2 36 40 41 42 -0.1842 40 H71 SLES 1 6.77 2 7.77129 6.54832HAL2 39 0 0 0 0.0943 41 H72 SLES 1 8.1275 3 8.95224 6.6397HAL2 39 0 0 0 0.0944 42 C8 SLES 1 6.8905 7 9.13653 4.85159 CTL2 39 43 44 45 -0.1845 43 H81 SLES 1 5.8058 6 9.23806 4.61813HAL2 42 0 0 0 0.0946 44 H82 SLES 1 7.38463 10.1077 4.62071HAL2 42 0 0 0 0.0947 45 C9 SLES 1 7.5005 2 8.03185 3.95272CTL2 42 46 47 48 -0.1848 46 H91 SLES 1 7.02693 7.05591 4.20491HAL2 45 0 0 0 0.0949 47 H92 SLES 1 8.59002 7.95035 4.1668HAL2 45 0 0 0 0.0950 48 C10 SLES 1 7.3022 5 8.31363 2.44452CTL2 45 49 50 51 -0.1851 49 H10 SLES 1 6.211 6 8.37202 2.22578HAL2 48 0 0 0 0.0952 50 H10 SLES 1 7.7561 9 9.29965 2.19604HAL2 48 0 0 0 0.0953 51 C11 SLES 1 7.9411 6 7.22096 1.54684CTL2 48 52 53 54 -0.1854 52 H11 SLES 1 7.47902 6.23795 1.79433HAL2 51 0 0 0 0.0955 53 H11 SLES 1 9.02797 7.15391 1.78194HAL2 51 0 0 0 0.0956 54 C12 SLES 1 7.7737 7 7.4835 0.0277604CTL3 51 55 56 57 -0.2757 55 H12 SLES 1 7.22332 6.6439 -0.451223HAL3 54 0 0 0 0.0958 56 H12 SLES 1 8.76894 7.57887 -0.459958HAL3 54 0 0 0 0.0959 57 H12 SLES 1 7.20436 8.42318 -0.14226HAL3 54 0 0 0 0.093 1 NA SLES 1 8.57748821 6.18184707 23.64838754 NA 0 0 0 0 1 4 2 S SLES 1 6.829953592 9.134263743 22.39148649 SL 3 4 5 6 1.33 5 3 OS1 SLES 1 7.595474141 8.002804447 21.42134811 OSL 2 7 0 0 -0.28 6 4 OS2 SLES 1 5.843165705 8.408677397 23.16431742 O2L 2 0 0 0 -0.65 7 5 OS3 SLES 1 7.849665932 9.666635216 23.27088856 O2L 2 0 0 0 -0.65 8 6 OS4 SLES 1 6.189744793 10.21790371 21.66327553 O2L 2 0 0 0 -0.65 9 7 C2 SLES 1 7.28012552 8.254900094 19.98701558 CC32A 3 8 9 10 -0.11 10 8 H2A SLES 1 6.166710321 8.270337989 19.82199226 HCA2 7 0 0 0 0.09 11 9 H2B SLES 1 7.705119875 9.256093451 19.69849385 HCA2 7 0 0 0 0.09 12 10 C1 SLES 1 7.943510564 7.106436745 19.08881652 CC32A 7 11 12 13 -0.01 13 11 H1B SLES 1 7.591063289 6.106291828 19.43127064 HCA2 10 0 0 0 0.09 14 12 H1A SLES 1 9.053970465 7.146789875 19.18046822 HCA2 10 0 0 0 0.09 15 13 O1 SLES 1 7.697519917 7.067746379 17.63420366 OC30A 10 14 0 0 -0.34 16 14 C2 SLES 1 7.205898191 8.282683479 17.03018561 CC32A 13 15 16 17 -0.01 17 15 H2A SLES 1 6.247200148 8.428568071 17.56541839 HCA2 14 0 0 0 0.09 18 16 H2B SLES 1 7.936539416 9.041806173 17.38970409 HCA2 14 0 0 0 0.09 19 17 C1 SLES 1 6.977233357 8.460405649 15.49610405 CC32A 14 18 19 20 -0.01 20 18 H1B SLES 1 5.934754117 8.174175304 15.23657537 HCA2 17 0 0 0 0.09 21 19 H1A SLES 1 7.131742038 9.523715853 15.22388065 HCA2 17 0 0 0 0.09 22 20 O1 SLES 1 7.70832038 7.699535273 14.48151022 OC30A 17 21 0 0 -0.34 23 21 C1 SLES 1 7.904666684 8.399405783 13.19868533 CTL2 20 22 23 24 -0.18 24 22 H11 SLES 1 7.274794038 9.307068089 13.22284214 HAL2 21 0 0 0 0.09 25 23 H12 SLES 1 8.969082264 8.702822857 13.27765658 HAL2 21 0 0 0 0.09 26 24 C2 SLES 1 7.667683822 7.625654495 11.84171606 CTL2 21 25 26 27 -0.18 27 25 H21 SLES 1 7.323485769 6.591471368 12.06710153 HAL2 24 0 0 0 0.09 28 26 H22 SLES 1 8.632503773 7.55355309 11.29353187 HAL2 24 0 0 0 0.09 29 27 C3 SLES 1 6.581785478 8.346713387 10.90398335 CTL2 24 28 29 30 -0.18 30 28 H31 SLES 1 5.623834795 7.783406718 10.96146817 HAL2 27 0 0 0 0.09 31 29 H32 SLES 1 6.39745589 9.370579395 11.28600474 HAL2 27 0 0 0 0.09 32 30 C4 SLES 1 7.03468053 8.437230996 9.387760739 CTL2 27 31 32 33 -0.18 33 31 H41 SLES 1 6.507038408 7.651854949 8.807323684 HAL2 30 0 0 0 0.09 34 32 H42 SLES 1 8.125875436 8.23780281 9.320293117 HAL2 30 0 0 0 0.09 35 33 C5 SLES 1 6.727175875 9.861650159 8.738727736 CTL2 30 34 35 36 -0.18 36 34 H51 SLES 1 5.973411369 10.3901303 9.363221268 HAL2 33 0 0 0 0.09 37 35 H52 SLES 1 7.660295188 10.47011282 8.740600253 HAL2 33 0 0 0 0.09 38 36 C6 SLES 1 6.18521269 9.759660365 7.263171512 CTL2 33 37 38 39 -0.18 39 37 H61 SLES 1 5.142802046 9.369857565 7.285648901 HAL2 36 0 0 0 0.09 40 38 H62 SLES 1 6.16009543 10.78056242 6.815302388 HAL2 36 0 0 0 0.09 41 39 C7 SLES 1 7.057151704 8.830205627 6.360884777 CTL2 36 40 41 42 -0.18 42 40 H71 SLES 1 6.771995071 7.771285886 6.548317533 HAL2 39 0 0 0 0.09 43 41 H72 SLES 1 8.127528663 8.952244003 6.639695285 HAL2 39 0 0 0 0.09 44 42 C8 SLES 1 6.890567597 9.136529301 4.851590869 CTL2 39 43 44 45 -0.18 45 43 H81 SLES 1 5.805859723 9.238057971 4.618134674 HAL2 42 0 0 0 0.09 46 44 H82 SLES 1 7.384633133 10.10772147 4.62071317 HAL2 42 0 0 0 0.09 47 45 C9 SLES 1 7.50051502 8.031847547 3.952723567 CTL2 42 46 47 48 -0.18 48 46 H91 SLES 1 7.026934558 7.055905282 4.204912309 HAL2 45 0 0 0 0.09 49 47 H92 SLES 1 8.590023291 7.950347963 4.166800414 HAL2 45 0 0 0 0.09 50 48 C10 SLES 1 7.302248121 8.31363047 2.444516745 CTL2 45 49 50 51 -0.18 51 49 H10 SLES 1 6.211595894 8.372019639 2.225777915 HAL2 48 0 0 0 0.09 52 50 H10 SLES 1 7.75618644 9.299649798 2.196044733 HAL2 48 0 0 0 0.09 53 51 C11 SLES 1 7.941156456 7.220957342 1.546841656 CTL2 48 52 53 54 -0.18 54 52 H11 SLES 1 7.479020121 6.237954882 1.794333484 HAL2 51 0 0 0 0.09 55 53 H11 SLES 1 9.027971697 7.153913061 1.781936327 HAL2 51 0 0 0 0.09 56 54 C12 SLES 1 7.773766224 7.483500723 0.02776038502 CTL3 51 55 56 57 -0.27 57 55 H12 SLES 1 7.223324682 6.643898898 -0.4512227338 HAL3 54 0 0 0 0.09 58 56 H12 SLES 1 8.768944759 7.57887315 -0.4599582559 HAL3 54 0 0 0 0.09 59 57 H12 SLES 1 7.204362552 8.423181296 -0.1422604179 HAL3 54 0 0 0 0.09
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