diff --git "a/G2/data/topol.top" "b/G2/data/topol.top" new file mode 100644--- /dev/null +++ "b/G2/data/topol.top" @@ -0,0 +1,2238 @@ +; +; File topolb.top was generated +; By user: rizziv (3021159) +; On host: somazzo +; At date: Mon. September 1 09:41:07 2019 +; +; This is a standalone topology file +; +; Created by: +; ParmEd: parmed_amberconv.py, VERSION 0+unknown +; Executable: parmed_amberconv.py +; Library dir: /mnt/storage/rizziv/gromacs-2018.5/installation/share/gromacs/top +; Command line: +; parmed_amberconv.py +; + +[ defaults ] +; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ +1 2 yes 0.5 0.83333333 + +[ atomtypes ] +; name at.num mass charge ptype sigma epsilon +ca 6 12.010000 0.00000000 A 0.33996695 0.359824 +cg 6 12.010000 0.00000000 A 0.33996695 0.87864001 +n1 7 14.010000 0.00000000 A 0.32499985 0.71128 +c 6 12.010000 0.00000000 A 0.33996695 0.359824 +o 8 16.000000 0.00000000 A 0.29599219 0.87864 +ha 1 1.008000 0.00000000 A 0.25996425 0.06276 +os 8 16.000000 0.00000000 A 0.30000123 0.71128 +c3 6 12.010000 0.00000000 A 0.33996695 0.4577296 +hc 1 1.008000 0.00000000 A 0.26495328 0.0656888 +h2 1 1.008000 0.00000000 A 0.22931733 0.0656888 +Na+ 11 22.990000 0.00000000 A 0.24392807 0.36584603 +OW 8 16.000000 0.00000000 A 0.31507524 0.635968 +HW 1 1.008000 0.00000000 A 0 0 + + +[ moleculetype ] +; Name nrexcl +MOL 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 MOL rtp MOL q -1.0 + 1 ca 1 MOL C1 1 -0.11718900 12.010000 ; qtot -0.117189 + 2 ca 1 MOL C2 2 -0.19455500 12.010000 ; qtot -0.311744 + 3 ca 1 MOL C3 3 -0.00878600 12.010000 ; qtot -0.320530 + 4 ca 1 MOL C4 4 -0.19455500 12.010000 ; qtot -0.515085 + 5 ca 1 MOL C5 5 -0.11718900 12.010000 ; qtot -0.632274 + 6 ca 1 MOL C6 6 0.05386100 12.010000 ; qtot -0.578413 + 7 cg 1 MOL C7 7 0.36935400 12.010000 ; qtot -0.209059 + 8 n1 1 MOL N1 8 -0.52924200 14.010000 ; qtot -0.738301 + 9 c 1 MOL C8 9 0.73131200 12.010000 ; qtot -0.006989 + 10 o 1 MOL O1 10 -0.76771300 16.000000 ; qtot -0.774702 + 11 o 1 MOL O2 11 -0.76771300 16.000000 ; qtot -1.542415 + 12 ha 1 MOL H1 12 0.12049200 1.008000 ; qtot -1.421923 + 13 ha 1 MOL H2 13 0.15071600 1.008000 ; qtot -1.271207 + 14 ha 1 MOL H3 14 0.15071600 1.008000 ; qtot -1.120491 + 15 ha 1 MOL H4 15 0.12049200 1.008000 ; qtot -0.999999 + +[ bonds ] +; ai aj funct c0 c1 c2 c3 + 9 10 1 0.12140 542246.400000 + 9 11 1 0.12140 542246.400000 + 7 8 1 0.11430 832364.960000 + 6 9 1 0.14870 292628.960000 + 5 6 1 0.13870 400325.120000 + 4 5 1 0.13870 400325.120000 + 3 4 1 0.13870 400325.120000 + 3 7 1 0.14380 340242.880000 + 2 3 1 0.13870 400325.120000 + 1 2 1 0.13870 400325.120000 + 1 6 1 0.13870 400325.120000 + 5 15 1 0.10870 288110.240000 + 4 14 1 0.10870 288110.240000 + 2 13 1 0.10870 288110.240000 + 1 12 1 0.10870 288110.240000 + +[ pairs ] +; ai aj funct c0 c1 c2 c3 + 5 7 1 + 5 10 1 + 5 11 1 + 4 8 1 + 4 9 1 + 6 3 1 + 2 5 1 + 2 9 1 + 2 8 1 + 1 4 1 + 1 7 1 + 1 10 1 + 1 11 1 + 14 15 1 + 12 13 1 + 12 9 1 + 9 15 1 + 7 13 1 + 7 14 1 + 6 13 1 + 6 14 1 + 12 5 1 + 4 13 1 + 12 3 1 + 3 15 1 + 2 14 1 + 1 15 1 + +[ angles ] +; ai aj ak funct c0 c1 c2 c3 + 10 9 11 1 130.3800556 654.126560 + 6 9 10 1 123.4400528 574.630560 + 6 9 11 1 123.4400528 574.630560 + 5 6 9 1 120.1400514 540.907520 + 4 3 7 1 120.0500517 551.451200 + 4 5 6 1 119.9700514 562.162240 + 3 4 5 1 119.9700514 562.162240 + 3 7 8 1 179.4300770 493.126240 + 2 1 6 1 119.9700514 562.162240 + 2 3 4 1 119.9700514 562.162240 + 2 3 7 1 120.0500517 551.451200 + 1 2 3 1 119.9700514 562.162240 + 1 6 5 1 119.9700514 562.162240 + 1 6 9 1 120.1400514 540.907520 + 6 1 12 1 120.0100513 405.513280 + 6 5 15 1 120.0100513 405.513280 + 5 4 14 1 120.0100513 405.513280 + 4 5 15 1 120.0100513 405.513280 + 3 2 13 1 120.0100513 405.513280 + 3 4 14 1 120.0100513 405.513280 + 2 1 12 1 120.0100513 405.513280 + 1 2 13 1 120.0100513 405.513280 + +[ dihedrals ] +; ai aj ak al funct c0 c1 c2 c3 c4 c5 + 5 4 3 7 1 180.0000771 15.1670000 2 + 5 6 9 10 1 180.0000771 4.1840000 2 + 5 6 9 11 1 180.0000771 4.1840000 2 + 4 3 7 8 1 180.0000771 0.0000000 2 + 4 5 6 9 1 180.0000771 15.1670000 2 + 6 1 2 3 1 180.0000771 15.1670000 2 + 3 4 5 6 1 180.0000771 15.1670000 2 + 2 1 6 5 1 180.0000771 15.1670000 2 + 2 1 6 9 1 180.0000771 15.1670000 2 + 2 3 4 5 1 180.0000771 15.1670000 2 + 2 3 7 8 1 180.0000771 0.0000000 2 + 1 2 3 4 1 180.0000771 15.1670000 2 + 1 2 3 7 1 180.0000771 15.1670000 2 + 1 6 5 4 1 180.0000771 15.1670000 2 + 1 6 9 10 1 180.0000771 4.1840000 2 + 1 6 9 11 1 180.0000771 4.1840000 2 + 6 10 9 11 4 180.0000771 4.6024000 2 + 9 1 6 5 4 180.0000771 4.6024000 2 + 2 4 3 7 4 180.0000771 4.6024000 2 + 14 4 5 15 1 180.0000771 15.1670000 2 + 12 1 2 13 1 180.0000771 15.1670000 2 + 12 1 6 9 1 180.0000771 15.1670000 2 + 9 6 5 15 1 180.0000771 15.1670000 2 + 7 3 2 13 1 180.0000771 15.1670000 2 + 7 3 4 14 1 180.0000771 15.1670000 2 + 6 1 2 13 1 180.0000771 15.1670000 2 + 6 5 4 14 1 180.0000771 15.1670000 2 + 12 1 6 5 1 180.0000771 15.1670000 2 + 4 3 2 13 1 180.0000771 15.1670000 2 + 12 1 2 3 1 180.0000771 15.1670000 2 + 3 4 5 15 1 180.0000771 15.1670000 2 + 2 3 4 14 1 180.0000771 15.1670000 2 + 1 6 5 15 1 180.0000771 15.1670000 2 + 4 6 5 15 4 180.0000771 4.6024000 2 + 3 5 4 14 4 180.0000771 4.6024000 2 + 1 3 2 13 4 180.0000771 4.6024000 2 + 12 1 6 2 4 180.0000771 4.6024000 2 + + +[ moleculetype ] +; Name nrexcl +OCB 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 OCB rtp OCB q -8.0 + 1 ca 1 OCB C1 1 0.00988200 12.010000 ; qtot 0.009882 + 2 ca 1 OCB C2 2 0.03533200 12.010000 ; qtot 0.045214 + 3 ca 1 OCB C3 3 -0.25553000 12.010000 ; qtot -0.210316 + 4 ca 1 OCB C4 4 0.03533200 12.010000 ; qtot -0.174984 + 5 ca 1 OCB C5 5 -0.07142500 12.010000 ; qtot -0.246409 + 6 ca 1 OCB C6 6 0.00988200 12.010000 ; qtot -0.236527 + 7 os 1 OCB O1 7 -0.26161500 16.000000 ; qtot -0.498142 + 8 c3 1 OCB C7 8 0.05441800 12.010000 ; qtot -0.443724 + 9 c3 1 OCB C8 9 0.08896100 12.010000 ; qtot -0.354763 + 10 os 1 OCB O2 10 -0.26161500 16.000000 ; qtot -0.616378 + 11 ca 1 OCB C9 11 0.03533200 12.010000 ; qtot -0.581046 + 12 ca 1 OCB C10 12 0.00988200 12.010000 ; qtot -0.571164 + 13 ca 1 OCB C11 13 -0.25553000 12.010000 ; qtot -0.826694 + 14 ca 1 OCB C12 14 -0.07142500 12.010000 ; qtot -0.898119 + 15 ca 1 OCB C13 15 0.00988200 12.010000 ; qtot -0.888237 + 16 ca 1 OCB C14 16 0.03533200 12.010000 ; qtot -0.852905 + 17 os 1 OCB O3 17 -0.26161500 16.000000 ; qtot -1.114520 + 18 c3 1 OCB C15 18 0.05441800 12.010000 ; qtot -1.060102 + 19 ca 1 OCB C16 19 0.00988200 12.010000 ; qtot -1.050220 + 20 ca 1 OCB C17 20 0.03533200 12.010000 ; qtot -1.014888 + 21 c3 1 OCB C18 21 0.08896100 12.010000 ; qtot -0.925927 + 22 os 1 OCB O4 22 -0.26161500 16.000000 ; qtot -1.187542 + 23 os 1 OCB O5 23 -0.26161500 16.000000 ; qtot -1.449157 + 24 c3 1 OCB C19 24 0.05441800 12.010000 ; qtot -1.394739 + 25 ca 1 OCB C20 25 0.00988200 12.010000 ; qtot -1.384857 + 26 os 1 OCB O6 26 -0.26161500 16.000000 ; qtot -1.646472 + 27 ca 1 OCB C21 27 0.03533200 12.010000 ; qtot -1.611140 + 28 ca 1 OCB C22 28 -0.07142500 12.010000 ; qtot -1.682565 + 29 ca 1 OCB C23 29 0.03533200 12.010000 ; qtot -1.647233 + 30 ca 1 OCB C24 30 -0.07142500 12.010000 ; qtot -1.718658 + 31 ca 1 OCB C25 31 0.03533200 12.010000 ; qtot -1.683326 + 32 os 1 OCB O7 32 -0.26161500 16.000000 ; qtot -1.944941 + 33 os 1 OCB O8 33 -0.26161500 16.000000 ; qtot -2.206556 + 34 c3 1 OCB C26 34 0.08896100 12.010000 ; qtot -2.117595 + 35 ca 1 OCB C27 35 -0.25553000 12.010000 ; qtot -2.373125 + 36 ca 1 OCB C28 36 0.00988200 12.010000 ; qtot -2.363243 + 37 ca 1 OCB C29 37 -0.25553000 12.010000 ; qtot -2.618773 + 38 c3 1 OCB C30 38 0.05441800 12.010000 ; qtot -2.564355 + 39 ca 1 OCB C31 39 0.00988200 12.010000 ; qtot -2.554473 + 40 c3 1 OCB C32 40 0.08896100 12.010000 ; qtot -2.465512 + 41 c3 1 OCB C33 41 -0.03803900 12.010000 ; qtot -2.503551 + 42 c3 1 OCB C34 42 0.03723600 12.010000 ; qtot -2.466315 + 43 c 1 OCB C35 43 0.79749100 12.010000 ; qtot -1.668824 + 44 o 1 OCB O9 44 -0.83804400 16.000000 ; qtot -2.506868 + 45 c3 1 OCB C36 45 -0.03803900 12.010000 ; qtot -2.544907 + 46 c3 1 OCB C37 46 0.03723600 12.010000 ; qtot -2.507671 + 47 c 1 OCB C38 47 0.79749100 12.010000 ; qtot -1.710180 + 48 o 1 OCB O10 48 -0.83804400 16.000000 ; qtot -2.548224 + 49 c3 1 OCB C39 49 -0.03803900 12.010000 ; qtot -2.586263 + 50 c3 1 OCB C40 50 0.03723600 12.010000 ; qtot -2.549027 + 51 c 1 OCB C41 51 0.79749100 12.010000 ; qtot -1.751536 + 52 o 1 OCB O11 52 -0.83804400 16.000000 ; qtot -2.589580 + 53 c3 1 OCB C42 53 -0.03803900 12.010000 ; qtot -2.627619 + 54 c3 1 OCB C43 54 0.03723600 12.010000 ; qtot -2.590383 + 55 c 1 OCB C44 55 0.79749100 12.010000 ; qtot -1.792892 + 56 o 1 OCB O12 56 -0.83804400 16.000000 ; qtot -2.630936 + 57 ca 1 OCB C45 57 0.00087100 12.010000 ; qtot -2.630065 + 58 ca 1 OCB C46 58 -0.20021500 12.010000 ; qtot -2.830280 + 59 ca 1 OCB C47 59 -0.11637400 12.010000 ; qtot -2.946654 + 60 ca 1 OCB C48 60 -0.11637400 12.010000 ; qtot -3.063028 + 61 ca 1 OCB C49 61 0.13737800 12.010000 ; qtot -2.925650 + 62 ca 1 OCB C50 62 0.13737800 12.010000 ; qtot -2.788272 + 63 ca 1 OCB C51 63 0.00087100 12.010000 ; qtot -2.787401 + 64 ca 1 OCB C52 64 -0.20021500 12.010000 ; qtot -2.987616 + 65 ca 1 OCB C53 65 -0.11637400 12.010000 ; qtot -3.103990 + 66 ca 1 OCB C54 66 -0.11637400 12.010000 ; qtot -3.220364 + 67 ca 1 OCB C55 67 0.13737800 12.010000 ; qtot -3.082986 + 68 ca 1 OCB C56 68 0.13737800 12.010000 ; qtot -2.945608 + 69 ca 1 OCB C57 69 0.00087100 12.010000 ; qtot -2.944737 + 70 ca 1 OCB C58 70 -0.20021500 12.010000 ; qtot -3.144952 + 71 ca 1 OCB C59 71 -0.11637400 12.010000 ; qtot -3.261326 + 72 ca 1 OCB C60 72 -0.11637400 12.010000 ; qtot -3.377700 + 73 ca 1 OCB C61 73 0.13737800 12.010000 ; qtot -3.240322 + 74 ca 1 OCB C62 74 0.13737800 12.010000 ; qtot -3.102944 + 75 ca 1 OCB C63 75 0.00087100 12.010000 ; qtot -3.102073 + 76 ca 1 OCB C64 76 -0.20021500 12.010000 ; qtot -3.302288 + 77 ca 1 OCB C65 77 -0.11637400 12.010000 ; qtot -3.418662 + 78 ca 1 OCB C66 78 -0.11637400 12.010000 ; qtot -3.535036 + 79 ca 1 OCB C67 79 0.13737800 12.010000 ; qtot -3.397658 + 80 ca 1 OCB C68 80 0.13737800 12.010000 ; qtot -3.260280 + 81 os 1 OCB O13 81 -0.26606500 16.000000 ; qtot -3.526345 + 82 os 1 OCB O14 82 -0.26606500 16.000000 ; qtot -3.792410 + 83 os 1 OCB O15 83 -0.26606500 16.000000 ; qtot -4.058475 + 84 os 1 OCB O16 84 -0.26606500 16.000000 ; qtot -4.324540 + 85 os 1 OCB O17 85 -0.26606500 16.000000 ; qtot -4.590605 + 86 os 1 OCB O18 86 -0.26606500 16.000000 ; qtot -4.856670 + 87 os 1 OCB O19 87 -0.26606500 16.000000 ; qtot -5.122735 + 88 ca 1 OCB C69 88 0.04053600 12.010000 ; qtot -5.082199 + 89 ca 1 OCB C70 89 -0.18027600 12.010000 ; qtot -5.262475 + 90 ca 1 OCB C71 90 0.07441900 12.010000 ; qtot -5.188056 + 91 ca 1 OCB C72 91 -0.18027600 12.010000 ; qtot -5.368332 + 92 ca 1 OCB C73 92 -0.06001500 12.010000 ; qtot -5.428347 + 93 ca 1 OCB C74 93 0.04053600 12.010000 ; qtot -5.387811 + 94 os 1 OCB O20 94 -0.26606500 16.000000 ; qtot -5.653876 + 95 ca 1 OCB C75 95 0.04053600 12.010000 ; qtot -5.613340 + 96 ca 1 OCB C76 96 -0.18027600 12.010000 ; qtot -5.793616 + 97 ca 1 OCB C77 97 -0.18027600 12.010000 ; qtot -5.973892 + 98 ca 1 OCB C78 98 0.07441900 12.010000 ; qtot -5.899473 + 99 ca 1 OCB C79 99 0.04053600 12.010000 ; qtot -5.858937 + 100 ca 1 OCB C80 100 -0.06001500 12.010000 ; qtot -5.918952 + 101 ca 1 OCB C81 101 0.04053600 12.010000 ; qtot -5.878416 + 102 ca 1 OCB C82 102 -0.18027600 12.010000 ; qtot -6.058692 + 103 ca 1 OCB C83 103 -0.18027600 12.010000 ; qtot -6.238968 + 104 ca 1 OCB C84 104 0.07441900 12.010000 ; qtot -6.164549 + 105 ca 1 OCB C85 105 0.04053600 12.010000 ; qtot -6.124013 + 106 ca 1 OCB C86 106 -0.06001500 12.010000 ; qtot -6.184028 + 107 c 1 OCB C87 107 0.82398600 12.010000 ; qtot -5.360042 + 108 o 1 OCB O21 108 -0.81289100 16.000000 ; qtot -6.172933 + 109 c 1 OCB C88 109 0.82398600 12.010000 ; qtot -5.348947 + 110 o 1 OCB O22 110 -0.81289100 16.000000 ; qtot -6.161838 + 111 c 1 OCB C89 111 0.82398600 12.010000 ; qtot -5.337852 + 112 o 1 OCB O23 112 -0.81289100 16.000000 ; qtot -6.150743 + 113 o 1 OCB O24 113 -0.83804400 16.000000 ; qtot -6.988787 + 114 o 1 OCB O25 114 -0.83804400 16.000000 ; qtot -7.826831 + 115 o 1 OCB O26 115 -0.83804400 16.000000 ; qtot -8.664875 + 116 c 1 OCB C90 116 0.82398600 12.010000 ; qtot -7.840889 + 117 o 1 OCB O27 117 -0.81289100 16.000000 ; qtot -8.653780 + 118 o 1 OCB O28 118 -0.81289100 16.000000 ; qtot -9.466671 + 119 o 1 OCB O29 119 -0.81289100 16.000000 ; qtot -10.279562 + 120 o 1 OCB O30 120 -0.81289100 16.000000 ; qtot -11.092453 + 121 o 1 OCB O31 121 -0.81289100 16.000000 ; qtot -11.905344 + 122 o 1 OCB O32 122 -0.83804400 16.000000 ; qtot -12.743388 + 123 ca 1 OCB C91 123 0.04053600 12.010000 ; qtot -12.702852 + 124 ca 1 OCB C92 124 -0.18027600 12.010000 ; qtot -12.883128 + 125 ca 1 OCB C93 125 0.07441900 12.010000 ; qtot -12.808709 + 126 ca 1 OCB C94 126 -0.18027600 12.010000 ; qtot -12.988985 + 127 ca 1 OCB C95 127 -0.06001500 12.010000 ; qtot -13.049000 + 128 ca 1 OCB C96 128 0.04053600 12.010000 ; qtot -13.008464 + 129 c3 1 OCB C97 129 -0.19862500 12.010000 ; qtot -13.207089 + 130 c3 1 OCB C98 130 -0.19862500 12.010000 ; qtot -13.405714 + 131 c3 1 OCB C99 131 -0.19862500 12.010000 ; qtot -13.604339 + 132 c3 1 OCB C 132 -0.19862500 12.010000 ; qtot -13.802964 + 133 ha 1 OCB H1 133 0.17301600 1.008000 ; qtot -13.629948 + 134 ha 1 OCB H2 134 0.11893200 1.008000 ; qtot -13.511016 + 135 hc 1 OCB H3 135 0.12848000 1.008000 ; qtot -13.382536 + 136 h2 1 OCB H4 136 0.14164000 1.008000 ; qtot -13.240896 + 137 ha 1 OCB H5 137 0.17301600 1.008000 ; qtot -13.067880 + 138 ha 1 OCB H6 138 0.11893200 1.008000 ; qtot -12.948948 + 139 hc 1 OCB H7 139 0.12848000 1.008000 ; qtot -12.820468 + 140 h2 1 OCB H8 140 0.14164000 1.008000 ; qtot -12.678828 + 141 hc 1 OCB H9 141 0.12848000 1.008000 ; qtot -12.550348 + 142 ha 1 OCB H10 142 0.11893200 1.008000 ; qtot -12.431416 + 143 ha 1 OCB H11 143 0.11893200 1.008000 ; qtot -12.312484 + 144 h2 1 OCB H12 144 0.14164000 1.008000 ; qtot -12.170844 + 145 ha 1 OCB H13 145 0.17301600 1.008000 ; qtot -11.997828 + 146 ha 1 OCB H14 146 0.17301600 1.008000 ; qtot -11.824812 + 147 hc 1 OCB H15 147 0.12848000 1.008000 ; qtot -11.696332 + 148 h2 1 OCB H16 148 0.14164000 1.008000 ; qtot -11.554692 + 149 hc 1 OCB H17 149 0.02268700 1.008000 ; qtot -11.532005 + 150 hc 1 OCB H18 150 0.02268700 1.008000 ; qtot -11.509318 + 151 hc 1 OCB H19 151 -0.04881300 1.008000 ; qtot -11.558131 + 152 hc 1 OCB H20 152 -0.04881300 1.008000 ; qtot -11.606944 + 153 hc 1 OCB H21 153 0.02268700 1.008000 ; qtot -11.584257 + 154 hc 1 OCB H22 154 0.02268700 1.008000 ; qtot -11.561570 + 155 hc 1 OCB H23 155 -0.04881300 1.008000 ; qtot -11.610383 + 156 hc 1 OCB H24 156 -0.04881300 1.008000 ; qtot -11.659196 + 157 hc 1 OCB H25 157 0.02268700 1.008000 ; qtot -11.636509 + 158 hc 1 OCB H26 158 0.02268700 1.008000 ; qtot -11.613822 + 159 hc 1 OCB H27 159 -0.04881300 1.008000 ; qtot -11.662635 + 160 hc 1 OCB H28 160 -0.04881300 1.008000 ; qtot -11.711448 + 161 hc 1 OCB H29 161 0.02268700 1.008000 ; qtot -11.688761 + 162 hc 1 OCB H30 162 0.02268700 1.008000 ; qtot -11.666074 + 163 hc 1 OCB H31 163 -0.04881300 1.008000 ; qtot -11.714887 + 164 hc 1 OCB H32 164 -0.04881300 1.008000 ; qtot -11.763700 + 165 ha 1 OCB H33 165 0.11516900 1.008000 ; qtot -11.648531 + 166 ha 1 OCB H34 166 0.15110700 1.008000 ; qtot -11.497424 + 167 ha 1 OCB H35 167 0.15110700 1.008000 ; qtot -11.346317 + 168 ha 1 OCB H36 168 0.11516900 1.008000 ; qtot -11.231148 + 169 ha 1 OCB H37 169 0.15110700 1.008000 ; qtot -11.080041 + 170 ha 1 OCB H38 170 0.15110700 1.008000 ; qtot -10.928934 + 171 ha 1 OCB H39 171 0.11516900 1.008000 ; qtot -10.813765 + 172 ha 1 OCB H40 172 0.15110700 1.008000 ; qtot -10.662658 + 173 ha 1 OCB H41 173 0.15110700 1.008000 ; qtot -10.511551 + 174 ha 1 OCB H42 174 0.11516900 1.008000 ; qtot -10.396382 + 175 ha 1 OCB H43 175 0.15110700 1.008000 ; qtot -10.245275 + 176 ha 1 OCB H44 176 0.15110700 1.008000 ; qtot -10.094168 + 177 ha 1 OCB H45 177 0.16312600 1.008000 ; qtot -9.931042 + 178 ha 1 OCB H46 178 0.16312600 1.008000 ; qtot -9.767916 + 179 ha 1 OCB H47 179 0.16312600 1.008000 ; qtot -9.604790 + 180 ha 1 OCB H48 180 0.16312600 1.008000 ; qtot -9.441664 + 181 ha 1 OCB H49 181 0.16312600 1.008000 ; qtot -9.278538 + 182 ha 1 OCB H50 182 0.16312600 1.008000 ; qtot -9.115412 + 183 ha 1 OCB H51 183 0.16312600 1.008000 ; qtot -8.952286 + 184 ha 1 OCB H52 184 0.16312600 1.008000 ; qtot -8.789160 + 185 hc 1 OCB H53 185 0.06576300 1.008000 ; qtot -8.723397 + 186 hc 1 OCB H54 186 0.06576300 1.008000 ; qtot -8.657634 + 187 hc 1 OCB H55 187 0.06576300 1.008000 ; qtot -8.591871 + 188 hc 1 OCB H56 188 0.06576300 1.008000 ; qtot -8.526108 + 189 hc 1 OCB H57 189 0.06576300 1.008000 ; qtot -8.460345 + 190 hc 1 OCB H58 190 0.06576300 1.008000 ; qtot -8.394582 + 191 hc 1 OCB H59 191 0.06576300 1.008000 ; qtot -8.328819 + 192 hc 1 OCB H60 192 0.06576300 1.008000 ; qtot -8.263056 + 193 hc 1 OCB H61 193 0.06576300 1.008000 ; qtot -8.197293 + 194 hc 1 OCB H62 194 0.06576300 1.008000 ; qtot -8.131530 + 195 hc 1 OCB H63 195 0.06576300 1.008000 ; qtot -8.065767 + 196 hc 1 OCB H64 196 0.06576300 1.008000 ; qtot -8.000004 + +[ bonds ] +; ai aj funct c0 c1 c2 c3 + 126 127 1 0.13870 400325.120000 + 125 128 1 0.13870 400325.120000 + 125 129 1 0.15130 270704.800000 + 124 127 1 0.13870 400325.120000 + 124 128 1 0.13870 400325.120000 + 123 125 1 0.13870 400325.120000 + 123 126 1 0.13870 400325.120000 + 116 117 1 0.12140 542246.400000 + 116 120 1 0.12140 542246.400000 + 111 112 1 0.12140 542246.400000 + 111 121 1 0.12140 542246.400000 + 109 110 1 0.12140 542246.400000 + 109 118 1 0.12140 542246.400000 + 109 127 1 0.14870 292628.960000 + 107 108 1 0.12140 542246.400000 + 107 119 1 0.12140 542246.400000 + 106 107 1 0.14870 292628.960000 + 104 105 1 0.13870 400325.120000 + 104 132 1 0.15130 270704.800000 + 103 106 1 0.13870 400325.120000 + 102 105 1 0.13870 400325.120000 + 102 106 1 0.13870 400325.120000 + 101 103 1 0.13870 400325.120000 + 101 104 1 0.13870 400325.120000 + 100 111 1 0.14870 292628.960000 + 98 99 1 0.13870 400325.120000 + 98 130 1 0.15130 270704.800000 + 97 100 1 0.13870 400325.120000 + 96 99 1 0.13870 400325.120000 + 96 100 1 0.13870 400325.120000 + 95 97 1 0.13870 400325.120000 + 95 98 1 0.13870 400325.120000 + 93 94 1 0.13730 311624.320000 + 92 116 1 0.14870 292628.960000 + 91 92 1 0.13870 400325.120000 + 90 93 1 0.13870 400325.120000 + 90 131 1 0.15130 270704.800000 + 89 92 1 0.13870 400325.120000 + 89 93 1 0.13870 400325.120000 + 88 90 1 0.13870 400325.120000 + 88 91 1 0.13870 400325.120000 + 87 128 1 0.13730 311624.320000 + 86 105 1 0.13730 311624.320000 + 85 123 1 0.13730 311624.320000 + 84 95 1 0.13730 311624.320000 + 83 101 1 0.13730 311624.320000 + 82 88 1 0.13730 311624.320000 + 81 99 1 0.13730 311624.320000 + 80 86 1 0.13730 311624.320000 + 79 87 1 0.13730 311624.320000 + 78 79 1 0.13870 400325.120000 + 77 80 1 0.13870 400325.120000 + 76 79 1 0.13870 400325.120000 + 76 80 1 0.13870 400325.120000 + 75 77 1 0.13870 400325.120000 + 75 78 1 0.13870 400325.120000 + 74 83 1 0.13730 311624.320000 + 73 82 1 0.13730 311624.320000 + 72 73 1 0.13870 400325.120000 + 71 74 1 0.13870 400325.120000 + 70 73 1 0.13870 400325.120000 + 70 74 1 0.13870 400325.120000 + 69 71 1 0.13870 400325.120000 + 69 72 1 0.13870 400325.120000 + 68 94 1 0.13730 311624.320000 + 67 81 1 0.13730 311624.320000 + 66 67 1 0.13870 400325.120000 + 65 68 1 0.13870 400325.120000 + 64 67 1 0.13870 400325.120000 + 64 68 1 0.13870 400325.120000 + 63 65 1 0.13870 400325.120000 + 63 66 1 0.13870 400325.120000 + 62 85 1 0.13730 311624.320000 + 61 84 1 0.13730 311624.320000 + 60 61 1 0.13870 400325.120000 + 59 62 1 0.13870 400325.120000 + 58 61 1 0.13870 400325.120000 + 58 62 1 0.13870 400325.120000 + 57 59 1 0.13870 400325.120000 + 57 60 1 0.13870 400325.120000 + 55 56 1 0.12140 542246.400000 + 55 114 1 0.12140 542246.400000 + 54 55 1 0.15080 274721.440000 + 53 54 1 0.15350 253634.080000 + 51 52 1 0.12140 542246.400000 + 51 115 1 0.12140 542246.400000 + 50 51 1 0.15080 274721.440000 + 49 50 1 0.15350 253634.080000 + 47 48 1 0.12140 542246.400000 + 47 122 1 0.12140 542246.400000 + 46 47 1 0.15080 274721.440000 + 45 46 1 0.15350 253634.080000 + 43 44 1 0.12140 542246.400000 + 43 113 1 0.12140 542246.400000 + 42 43 1 0.15080 274721.440000 + 41 42 1 0.15350 253634.080000 + 40 63 1 0.15130 270704.800000 + 38 39 1 0.15130 270704.800000 + 38 53 1 0.15350 253634.080000 + 37 39 1 0.13870 400325.120000 + 36 38 1 0.15130 270704.800000 + 35 36 1 0.13870 400325.120000 + 34 69 1 0.15130 270704.800000 + 33 34 1 0.14390 252295.200000 + 32 34 1 0.14390 252295.200000 + 31 33 1 0.13730 311624.320000 + 31 36 1 0.13870 400325.120000 + 30 31 1 0.13870 400325.120000 + 29 32 1 0.13730 311624.320000 + 29 39 1 0.13870 400325.120000 + 28 29 1 0.13870 400325.120000 + 27 30 1 0.13870 400325.120000 + 26 27 1 0.13730 311624.320000 + 26 40 1 0.14390 252295.200000 + 25 27 1 0.13870 400325.120000 + 25 35 1 0.13870 400325.120000 + 24 25 1 0.15130 270704.800000 + 24 49 1 0.15350 253634.080000 + 23 40 1 0.14390 252295.200000 + 21 22 1 0.14390 252295.200000 + 21 75 1 0.15130 270704.800000 + 20 22 1 0.13730 311624.320000 + 20 28 1 0.13870 400325.120000 + 19 20 1 0.13870 400325.120000 + 19 37 1 0.13870 400325.120000 + 18 19 1 0.15130 270704.800000 + 18 41 1 0.15350 253634.080000 + 17 21 1 0.14390 252295.200000 + 16 17 1 0.13730 311624.320000 + 15 16 1 0.13870 400325.120000 + 15 18 1 0.15130 270704.800000 + 14 16 1 0.13870 400325.120000 + 13 15 1 0.13870 400325.120000 + 12 13 1 0.13870 400325.120000 + 11 12 1 0.13870 400325.120000 + 11 14 1 0.13870 400325.120000 + 10 11 1 0.13730 311624.320000 + 9 10 1 0.14390 252295.200000 + 9 57 1 0.15130 270704.800000 + 8 12 1 0.15130 270704.800000 + 8 45 1 0.15350 253634.080000 + 7 9 1 0.14390 252295.200000 + 6 8 1 0.15130 270704.800000 + 4 5 1 0.13870 400325.120000 + 4 23 1 0.13730 311624.320000 + 3 6 1 0.13870 400325.120000 + 2 5 1 0.13870 400325.120000 + 2 6 1 0.13870 400325.120000 + 2 7 1 0.13730 311624.320000 + 1 3 1 0.13870 400325.120000 + 1 4 1 0.13870 400325.120000 + 1 24 1 0.15130 270704.800000 + 132 194 1 0.10920 282252.640000 + 132 195 1 0.10920 282252.640000 + 132 196 1 0.10920 282252.640000 + 131 191 1 0.10920 282252.640000 + 131 192 1 0.10920 282252.640000 + 131 193 1 0.10920 282252.640000 + 130 188 1 0.10920 282252.640000 + 130 189 1 0.10920 282252.640000 + 130 190 1 0.10920 282252.640000 + 129 185 1 0.10920 282252.640000 + 129 186 1 0.10920 282252.640000 + 129 187 1 0.10920 282252.640000 + 126 184 1 0.10870 288110.240000 + 124 183 1 0.10870 288110.240000 + 103 182 1 0.10870 288110.240000 + 102 181 1 0.10870 288110.240000 + 97 180 1 0.10870 288110.240000 + 96 179 1 0.10870 288110.240000 + 91 178 1 0.10870 288110.240000 + 89 177 1 0.10870 288110.240000 + 78 176 1 0.10870 288110.240000 + 77 175 1 0.10870 288110.240000 + 76 174 1 0.10870 288110.240000 + 72 173 1 0.10870 288110.240000 + 71 172 1 0.10870 288110.240000 + 70 171 1 0.10870 288110.240000 + 66 170 1 0.10870 288110.240000 + 65 169 1 0.10870 288110.240000 + 64 168 1 0.10870 288110.240000 + 60 167 1 0.10870 288110.240000 + 59 166 1 0.10870 288110.240000 + 58 165 1 0.10870 288110.240000 + 54 163 1 0.10920 282252.640000 + 54 164 1 0.10920 282252.640000 + 53 161 1 0.10920 282252.640000 + 53 162 1 0.10920 282252.640000 + 50 159 1 0.10920 282252.640000 + 50 160 1 0.10920 282252.640000 + 49 157 1 0.10920 282252.640000 + 49 158 1 0.10920 282252.640000 + 46 155 1 0.10920 282252.640000 + 46 156 1 0.10920 282252.640000 + 45 153 1 0.10920 282252.640000 + 45 154 1 0.10920 282252.640000 + 42 151 1 0.10920 282252.640000 + 42 152 1 0.10920 282252.640000 + 41 149 1 0.10920 282252.640000 + 41 150 1 0.10920 282252.640000 + 40 148 1 0.11000 273131.520000 + 38 147 1 0.10920 282252.640000 + 37 146 1 0.10870 288110.240000 + 35 145 1 0.10870 288110.240000 + 34 144 1 0.11000 273131.520000 + 30 143 1 0.10870 288110.240000 + 28 142 1 0.10870 288110.240000 + 24 141 1 0.10920 282252.640000 + 21 140 1 0.11000 273131.520000 + 18 139 1 0.10920 282252.640000 + 14 138 1 0.10870 288110.240000 + 13 137 1 0.10870 288110.240000 + 9 136 1 0.11000 273131.520000 + 8 135 1 0.10920 282252.640000 + 5 134 1 0.10870 288110.240000 + 3 133 1 0.10870 288110.240000 + +[ pairs ] +; ai aj funct c0 c1 c2 c3 + 126 128 1 + 126 129 1 + 125 127 1 + 124 129 1 + 123 124 1 + 118 124 1 + 118 126 1 + 110 124 1 + 110 126 1 + 109 128 1 + 109 123 1 + 105 107 1 + 104 106 1 + 103 105 1 + 103 132 1 + 103 108 1 + 103 119 1 + 102 132 1 + 102 108 1 + 102 119 1 + 101 102 1 + 101 107 1 + 99 111 1 + 98 100 1 + 97 99 1 + 97 130 1 + 97 112 1 + 97 121 1 + 96 130 1 + 96 112 1 + 96 121 1 + 95 96 1 + 95 111 1 + 94 131 1 + 93 116 1 + 92 94 1 + 91 93 1 + 91 131 1 + 91 117 1 + 91 120 1 + 90 92 1 + 89 117 1 + 89 120 1 + 89 131 1 + 88 89 1 + 88 94 1 + 88 116 1 + 87 127 1 + 87 123 1 + 87 129 1 + 86 106 1 + 86 101 1 + 86 132 1 + 85 128 1 + 85 129 1 + 85 127 1 + 84 100 1 + 84 99 1 + 84 130 1 + 83 106 1 + 83 105 1 + 83 132 1 + 82 93 1 + 82 131 1 + 82 92 1 + 81 100 1 + 81 95 1 + 81 130 1 + 80 87 1 + 80 102 1 + 80 104 1 + 79 86 1 + 79 124 1 + 79 125 1 + 78 80 1 + 78 128 1 + 77 79 1 + 77 105 1 + 76 128 1 + 76 105 1 + 75 76 1 + 75 86 1 + 75 87 1 + 74 82 1 + 74 103 1 + 74 104 1 + 73 83 1 + 73 90 1 + 73 91 1 + 72 74 1 + 72 88 1 + 71 73 1 + 71 101 1 + 70 88 1 + 70 101 1 + 69 70 1 + 69 83 1 + 69 82 1 + 68 81 1 + 68 89 1 + 68 90 1 + 67 94 1 + 67 96 1 + 67 98 1 + 66 68 1 + 66 99 1 + 65 67 1 + 65 93 1 + 64 99 1 + 64 93 1 + 63 64 1 + 63 94 1 + 63 81 1 + 62 84 1 + 62 125 1 + 62 126 1 + 61 85 1 + 61 97 1 + 61 98 1 + 60 62 1 + 60 95 1 + 59 61 1 + 59 123 1 + 58 95 1 + 58 123 1 + 57 58 1 + 57 85 1 + 57 84 1 + 53 56 1 + 53 114 1 + 49 52 1 + 49 115 1 + 45 48 1 + 45 122 1 + 41 44 1 + 41 113 1 + 40 68 1 + 40 67 1 + 39 54 1 + 38 55 1 + 37 41 1 + 37 53 1 + 36 37 1 + 36 54 1 + 35 49 1 + 35 39 1 + 35 53 1 + 34 39 1 + 34 36 1 + 34 74 1 + 34 73 1 + 33 35 1 + 33 38 1 + 33 71 1 + 33 72 1 + 32 37 1 + 32 38 1 + 32 71 1 + 32 72 1 + 31 32 1 + 31 69 1 + 31 39 1 + 31 53 1 + 30 35 1 + 30 40 1 + 30 34 1 + 30 38 1 + 29 33 1 + 29 69 1 + 29 36 1 + 29 53 1 + 28 37 1 + 28 34 1 + 28 38 1 + 27 49 1 + 27 36 1 + 27 63 1 + 27 33 1 + 26 35 1 + 26 31 1 + 26 65 1 + 26 66 1 + 25 50 1 + 25 40 1 + 25 31 1 + 25 38 1 + 24 26 1 + 24 30 1 + 24 36 1 + 24 51 1 + 24 23 1 + 23 27 1 + 23 65 1 + 23 66 1 + 22 37 1 + 22 29 1 + 22 77 1 + 22 78 1 + 21 28 1 + 21 80 1 + 21 79 1 + 20 41 1 + 20 39 1 + 20 75 1 + 20 32 1 + 19 42 1 + 19 21 1 + 19 29 1 + 19 38 1 + 18 22 1 + 18 28 1 + 18 39 1 + 18 43 1 + 17 18 1 + 17 20 1 + 17 77 1 + 17 78 1 + 16 19 1 + 16 41 1 + 16 22 1 + 16 75 1 + 15 21 1 + 15 20 1 + 15 37 1 + 15 42 1 + 14 18 1 + 14 21 1 + 13 45 1 + 13 14 1 + 13 17 1 + 13 19 1 + 13 41 1 + 12 46 1 + 12 16 1 + 12 18 1 + 11 57 1 + 11 45 1 + 11 15 1 + 11 17 1 + 10 59 1 + 10 60 1 + 10 13 1 + 10 16 1 + 9 12 1 + 9 14 1 + 9 62 1 + 9 61 1 + 8 10 1 + 8 14 1 + 8 15 1 + 8 47 1 + 7 8 1 + 7 11 1 + 7 59 1 + 7 60 1 + 6 9 1 + 24 6 1 + 6 11 1 + 6 13 1 + 6 46 1 + 5 8 1 + 5 9 1 + 24 5 1 + 5 40 1 + 4 6 1 + 4 25 1 + 4 49 1 + 4 7 1 + 4 26 1 + 4 63 1 + 3 5 1 + 3 23 1 + 3 25 1 + 3 49 1 + 3 7 1 + 3 12 1 + 3 45 1 + 2 23 1 + 2 12 1 + 2 45 1 + 2 10 1 + 2 57 1 + 1 2 1 + 1 8 1 + 1 40 1 + 1 27 1 + 1 35 1 + 1 50 1 + 162 163 1 + 162 164 1 + 161 163 1 + 161 164 1 + 158 159 1 + 158 160 1 + 157 159 1 + 157 160 1 + 154 155 1 + 154 156 1 + 153 155 1 + 153 156 1 + 150 151 1 + 150 152 1 + 149 151 1 + 149 152 1 + 147 161 1 + 147 162 1 + 141 157 1 + 141 158 1 + 139 149 1 + 139 150 1 + 135 153 1 + 135 154 1 + 128 185 1 + 128 186 1 + 128 187 1 + 126 183 1 + 125 184 1 + 125 183 1 + 124 184 1 + 123 185 1 + 123 186 1 + 123 187 1 + 122 155 1 + 122 156 1 + 116 177 1 + 116 178 1 + 115 159 1 + 115 160 1 + 114 163 1 + 114 164 1 + 113 151 1 + 113 152 1 + 111 179 1 + 111 180 1 + 109 183 1 + 109 184 1 + 107 181 1 + 107 182 1 + 105 194 1 + 105 195 1 + 105 196 1 + 104 182 1 + 104 181 1 + 103 181 1 + 102 182 1 + 101 194 1 + 101 195 1 + 101 196 1 + 99 188 1 + 99 189 1 + 99 190 1 + 98 180 1 + 98 179 1 + 97 179 1 + 96 180 1 + 95 188 1 + 95 189 1 + 95 190 1 + 94 168 1 + 94 169 1 + 94 177 1 + 93 191 1 + 93 192 1 + 93 193 1 + 91 177 1 + 90 178 1 + 90 177 1 + 89 178 1 + 88 191 1 + 88 192 1 + 88 193 1 + 87 174 1 + 87 176 1 + 87 183 1 + 86 174 1 + 86 175 1 + 86 181 1 + 85 165 1 + 85 166 1 + 85 184 1 + 84 165 1 + 84 167 1 + 84 180 1 + 83 171 1 + 83 172 1 + 83 182 1 + 82 171 1 + 82 173 1 + 82 178 1 + 81 168 1 + 81 170 1 + 81 179 1 + 78 140 1 + 78 175 1 + 78 174 1 + 77 140 1 + 77 176 1 + 77 174 1 + 76 176 1 + 76 175 1 + 72 144 1 + 72 172 1 + 72 171 1 + 71 144 1 + 71 173 1 + 71 171 1 + 70 173 1 + 70 172 1 + 66 148 1 + 66 169 1 + 66 168 1 + 65 148 1 + 65 170 1 + 65 168 1 + 64 170 1 + 64 169 1 + 60 136 1 + 60 166 1 + 60 165 1 + 59 136 1 + 59 167 1 + 59 165 1 + 58 167 1 + 58 166 1 + 56 163 1 + 56 164 1 + 55 161 1 + 55 162 1 + 54 147 1 + 52 159 1 + 52 160 1 + 51 157 1 + 51 158 1 + 50 141 1 + 48 155 1 + 48 156 1 + 47 153 1 + 47 154 1 + 46 135 1 + 44 151 1 + 44 152 1 + 43 149 1 + 43 150 1 + 42 139 1 + 40 169 1 + 40 170 1 + 39 142 1 + 39 161 1 + 39 162 1 + 38 145 1 + 38 146 1 + 38 163 1 + 38 164 1 + 37 139 1 + 37 147 1 + 36 143 1 + 36 161 1 + 36 162 1 + 35 141 1 + 35 147 1 + 34 172 1 + 34 173 1 + 33 143 1 + 32 142 1 + 31 144 1 + 31 145 1 + 31 147 1 + 29 144 1 + 29 146 1 + 29 147 1 + 27 141 1 + 27 145 1 + 27 148 1 + 26 143 1 + 25 157 1 + 25 158 1 + 25 143 1 + 24 133 1 + 24 145 1 + 24 159 1 + 24 160 1 + 23 134 1 + 22 142 1 + 21 175 1 + 21 176 1 + 20 139 1 + 20 146 1 + 20 140 1 + 19 149 1 + 19 150 1 + 19 142 1 + 18 137 1 + 18 146 1 + 18 151 1 + 18 152 1 + 17 138 1 + 16 137 1 + 16 139 1 + 16 140 1 + 15 138 1 + 15 149 1 + 15 150 1 + 13 135 1 + 13 139 1 + 12 153 1 + 12 154 1 + 12 138 1 + 11 136 1 + 11 135 1 + 11 137 1 + 10 138 1 + 9 166 1 + 9 167 1 + 8 133 1 + 8 137 1 + 8 155 1 + 8 156 1 + 7 134 1 + 6 134 1 + 6 153 1 + 6 154 1 + 4 133 1 + 4 141 1 + 4 148 1 + 3 141 1 + 3 135 1 + 2 133 1 + 2 135 1 + 2 136 1 + 1 134 1 + 1 157 1 + 1 158 1 + +[ angles ] +; ai aj ak funct c0 c1 c2 c3 + 128 125 129 1 120.6300518 534.213120 + 127 124 128 1 119.9700514 562.162240 + 125 123 126 1 119.9700514 562.162240 + 124 127 126 1 119.9700514 562.162240 + 124 128 125 1 119.9700514 562.162240 + 123 125 128 1 119.9700514 562.162240 + 123 125 129 1 120.6300518 534.213120 + 123 126 127 1 119.9700514 562.162240 + 118 109 127 1 123.4400528 574.630560 + 117 116 120 1 130.3800556 654.126560 + 112 111 121 1 130.3800556 654.126560 + 110 109 118 1 130.3800556 654.126560 + 110 109 127 1 123.4400528 574.630560 + 109 127 124 1 120.1400514 540.907520 + 109 127 126 1 120.1400514 540.907520 + 108 107 119 1 130.3800556 654.126560 + 106 107 108 1 123.4400528 574.630560 + 106 107 119 1 123.4400528 574.630560 + 105 102 106 1 119.9700514 562.162240 + 105 104 132 1 120.6300518 534.213120 + 103 101 104 1 119.9700514 562.162240 + 103 106 107 1 120.1400514 540.907520 + 102 105 104 1 119.9700514 562.162240 + 102 106 103 1 119.9700514 562.162240 + 102 106 107 1 120.1400514 540.907520 + 101 103 106 1 119.9700514 562.162240 + 101 104 105 1 119.9700514 562.162240 + 101 104 132 1 120.6300518 534.213120 + 100 111 112 1 123.4400528 574.630560 + 100 111 121 1 123.4400528 574.630560 + 99 96 100 1 119.9700514 562.162240 + 99 98 130 1 120.6300518 534.213120 + 97 95 98 1 119.9700514 562.162240 + 97 100 111 1 120.1400514 540.907520 + 96 99 98 1 119.9700514 562.162240 + 96 100 97 1 119.9700514 562.162240 + 96 100 111 1 120.1400514 540.907520 + 95 97 100 1 119.9700514 562.162240 + 95 98 99 1 119.9700514 562.162240 + 95 98 130 1 120.6300518 534.213120 + 93 90 131 1 120.6300518 534.213120 + 92 89 93 1 119.9700514 562.162240 + 92 116 117 1 123.4400528 574.630560 + 92 116 120 1 123.4400528 574.630560 + 91 92 116 1 120.1400514 540.907520 + 90 88 91 1 119.9700514 562.162240 + 90 93 94 1 119.2000511 584.002720 + 89 92 91 1 119.9700514 562.162240 + 89 92 116 1 120.1400514 540.907520 + 89 93 90 1 119.9700514 562.162240 + 89 93 94 1 119.2000511 584.002720 + 88 90 93 1 119.9700514 562.162240 + 88 90 131 1 120.6300518 534.213120 + 88 91 92 1 119.9700514 562.162240 + 87 128 124 1 119.2000511 584.002720 + 87 128 125 1 119.2000511 584.002720 + 86 105 102 1 119.2000511 584.002720 + 86 105 104 1 119.2000511 584.002720 + 85 123 125 1 119.2000511 584.002720 + 85 123 126 1 119.2000511 584.002720 + 84 95 97 1 119.2000511 584.002720 + 84 95 98 1 119.2000511 584.002720 + 83 101 103 1 119.2000511 584.002720 + 83 101 104 1 119.2000511 584.002720 + 82 88 90 1 119.2000511 584.002720 + 82 88 91 1 119.2000511 584.002720 + 81 99 96 1 119.2000511 584.002720 + 81 99 98 1 119.2000511 584.002720 + 80 86 105 1 119.9500517 529.778080 + 79 76 80 1 119.9700514 562.162240 + 79 87 128 1 119.9500517 529.778080 + 78 79 87 1 119.2000511 584.002720 + 77 75 78 1 119.9700514 562.162240 + 77 80 86 1 119.2000511 584.002720 + 76 79 78 1 119.9700514 562.162240 + 76 79 87 1 119.2000511 584.002720 + 76 80 77 1 119.9700514 562.162240 + 76 80 86 1 119.2000511 584.002720 + 75 77 80 1 119.9700514 562.162240 + 75 78 79 1 119.9700514 562.162240 + 74 83 101 1 119.9500517 529.778080 + 73 70 74 1 119.9700514 562.162240 + 73 82 88 1 119.9500517 529.778080 + 72 73 82 1 119.2000511 584.002720 + 71 69 72 1 119.9700514 562.162240 + 71 74 83 1 119.2000511 584.002720 + 70 73 72 1 119.9700514 562.162240 + 70 73 82 1 119.2000511 584.002720 + 70 74 71 1 119.9700514 562.162240 + 70 74 83 1 119.2000511 584.002720 + 69 71 74 1 119.9700514 562.162240 + 69 72 73 1 119.9700514 562.162240 + 68 94 93 1 119.9500517 529.778080 + 67 64 68 1 119.9700514 562.162240 + 67 81 99 1 119.9500517 529.778080 + 66 67 81 1 119.2000511 584.002720 + 65 63 66 1 119.9700514 562.162240 + 65 68 94 1 119.2000511 584.002720 + 64 67 66 1 119.9700514 562.162240 + 64 67 81 1 119.2000511 584.002720 + 64 68 65 1 119.9700514 562.162240 + 64 68 94 1 119.2000511 584.002720 + 63 65 68 1 119.9700514 562.162240 + 63 66 67 1 119.9700514 562.162240 + 62 85 123 1 119.9500517 529.778080 + 61 58 62 1 119.9700514 562.162240 + 61 84 95 1 119.9500517 529.778080 + 60 61 84 1 119.2000511 584.002720 + 59 57 60 1 119.9700514 562.162240 + 59 62 85 1 119.2000511 584.002720 + 58 61 60 1 119.9700514 562.162240 + 58 61 84 1 119.2000511 584.002720 + 58 62 59 1 119.9700514 562.162240 + 58 62 85 1 119.2000511 584.002720 + 57 59 62 1 119.9700514 562.162240 + 57 60 61 1 119.9700514 562.162240 + 56 55 114 1 130.3800556 654.126560 + 54 55 56 1 123.1100526 569.275040 + 54 55 114 1 123.1100526 569.275040 + 53 54 55 1 110.5300474 533.794720 + 52 51 115 1 130.3800556 654.126560 + 50 51 52 1 123.1100526 569.275040 + 50 51 115 1 123.1100526 569.275040 + 49 50 51 1 110.5300474 533.794720 + 48 47 122 1 130.3800556 654.126560 + 46 47 48 1 123.1100526 569.275040 + 46 47 122 1 123.1100526 569.275040 + 45 46 47 1 110.5300474 533.794720 + 44 43 113 1 130.3800556 654.126560 + 42 43 44 1 123.1100526 569.275040 + 42 43 113 1 123.1100526 569.275040 + 41 42 43 1 110.5300474 533.794720 + 40 63 65 1 120.6300518 534.213120 + 40 63 66 1 120.6300518 534.213120 + 39 38 53 1 112.0900482 529.276000 + 38 53 54 1 110.6300475 528.941280 + 37 39 38 1 120.6300518 534.213120 + 36 38 39 1 112.2600482 532.706880 + 36 38 53 1 112.0900482 529.276000 + 35 36 38 1 120.6300518 534.213120 + 34 69 71 1 120.6300518 534.213120 + 34 69 72 1 120.6300518 534.213120 + 33 31 36 1 119.2000511 584.002720 + 33 34 69 1 108.8900468 570.613920 + 32 29 39 1 119.2000511 584.002720 + 32 34 33 1 110.2400471 600.152960 + 32 34 69 1 108.8900468 570.613920 + 31 33 34 1 117.9700505 521.075360 + 31 36 35 1 119.9700514 562.162240 + 31 36 38 1 120.6300518 534.213120 + 30 31 33 1 119.2000511 584.002720 + 30 31 36 1 119.9700514 562.162240 + 29 32 34 1 117.9700505 521.075360 + 29 39 37 1 119.9700514 562.162240 + 29 39 38 1 120.6300518 534.213120 + 28 29 32 1 119.2000511 584.002720 + 28 29 39 1 119.9700514 562.162240 + 27 25 35 1 119.9700514 562.162240 + 27 26 40 1 117.9700505 521.075360 + 27 30 31 1 119.9700514 562.162240 + 26 27 30 1 119.2000511 584.002720 + 26 40 63 1 108.8900468 570.613920 + 25 24 49 1 112.0900482 529.276000 + 25 27 26 1 119.2000511 584.002720 + 25 27 30 1 119.9700514 562.162240 + 25 35 36 1 119.9700514 562.162240 + 24 25 27 1 120.6300518 534.213120 + 24 25 35 1 120.6300518 534.213120 + 24 49 50 1 110.6300475 528.941280 + 23 40 26 1 110.2400471 600.152960 + 23 40 63 1 108.8900468 570.613920 + 22 20 28 1 119.2000511 584.002720 + 22 21 75 1 108.8900468 570.613920 + 21 75 77 1 120.6300518 534.213120 + 21 75 78 1 120.6300518 534.213120 + 20 19 37 1 119.9700514 562.162240 + 20 22 21 1 117.9700505 521.075360 + 20 28 29 1 119.9700514 562.162240 + 19 18 41 1 112.0900482 529.276000 + 19 20 22 1 119.2000511 584.002720 + 19 20 28 1 119.9700514 562.162240 + 19 37 39 1 119.9700514 562.162240 + 18 19 20 1 120.6300518 534.213120 + 18 19 37 1 120.6300518 534.213120 + 18 41 42 1 110.6300475 528.941280 + 17 21 22 1 110.2400471 600.152960 + 17 21 75 1 108.8900468 570.613920 + 16 15 18 1 120.6300518 534.213120 + 16 17 21 1 117.9700505 521.075360 + 15 16 17 1 119.2000511 584.002720 + 15 18 19 1 112.2600482 532.706880 + 15 18 41 1 112.0900482 529.276000 + 14 16 15 1 119.9700514 562.162240 + 14 16 17 1 119.2000511 584.002720 + 13 15 16 1 119.9700514 562.162240 + 13 15 18 1 120.6300518 534.213120 + 12 8 45 1 112.0900482 529.276000 + 12 11 14 1 119.9700514 562.162240 + 12 13 15 1 119.9700514 562.162240 + 11 12 13 1 119.9700514 562.162240 + 11 14 16 1 119.9700514 562.162240 + 10 9 57 1 108.8900468 570.613920 + 10 11 12 1 119.2000511 584.002720 + 10 11 14 1 119.2000511 584.002720 + 9 10 11 1 117.9700505 521.075360 + 9 57 59 1 120.6300518 534.213120 + 9 57 60 1 120.6300518 534.213120 + 8 12 11 1 120.6300518 534.213120 + 8 12 13 1 120.6300518 534.213120 + 8 45 46 1 110.6300475 528.941280 + 7 9 10 1 110.2400471 600.152960 + 7 9 57 1 108.8900468 570.613920 + 6 2 7 1 119.2000511 584.002720 + 6 8 12 1 112.2600482 532.706880 + 6 8 45 1 112.0900482 529.276000 + 5 2 6 1 119.9700514 562.162240 + 5 2 7 1 119.2000511 584.002720 + 5 4 23 1 119.2000511 584.002720 + 4 1 24 1 120.6300518 534.213120 + 4 23 40 1 117.9700505 521.075360 + 3 1 4 1 119.9700514 562.162240 + 3 1 24 1 120.6300518 534.213120 + 3 6 8 1 120.6300518 534.213120 + 2 5 4 1 119.9700514 562.162240 + 2 6 3 1 119.9700514 562.162240 + 2 6 8 1 120.6300518 534.213120 + 2 7 9 1 117.9700505 521.075360 + 1 3 6 1 119.9700514 562.162240 + 1 4 5 1 119.9700514 562.162240 + 1 4 23 1 119.2000511 584.002720 + 1 24 25 1 112.2600482 532.706880 + 1 24 49 1 112.0900482 529.276000 + 195 132 196 1 108.3500467 329.950240 + 194 132 195 1 108.3500467 329.950240 + 194 132 196 1 108.3500467 329.950240 + 192 131 193 1 108.3500467 329.950240 + 191 131 192 1 108.3500467 329.950240 + 191 131 193 1 108.3500467 329.950240 + 189 130 190 1 108.3500467 329.950240 + 188 130 189 1 108.3500467 329.950240 + 188 130 190 1 108.3500467 329.950240 + 186 129 187 1 108.3500467 329.950240 + 185 129 186 1 108.3500467 329.950240 + 185 129 187 1 108.3500467 329.950240 + 163 54 164 1 108.3500467 329.950240 + 161 53 162 1 108.3500467 329.950240 + 159 50 160 1 108.3500467 329.950240 + 157 49 158 1 108.3500467 329.950240 + 155 46 156 1 108.3500467 329.950240 + 153 45 154 1 108.3500467 329.950240 + 151 42 152 1 108.3500467 329.950240 + 149 41 150 1 108.3500467 329.950240 + 128 124 183 1 120.0100513 405.513280 + 127 124 183 1 120.0100513 405.513280 + 127 126 184 1 120.0100513 405.513280 + 125 129 185 1 110.1500475 392.961280 + 125 129 186 1 110.1500475 392.961280 + 125 129 187 1 110.1500475 392.961280 + 123 126 184 1 120.0100513 405.513280 + 106 102 181 1 120.0100513 405.513280 + 106 103 182 1 120.0100513 405.513280 + 105 102 181 1 120.0100513 405.513280 + 104 132 194 1 110.1500475 392.961280 + 104 132 195 1 110.1500475 392.961280 + 104 132 196 1 110.1500475 392.961280 + 101 103 182 1 120.0100513 405.513280 + 100 96 179 1 120.0100513 405.513280 + 100 97 180 1 120.0100513 405.513280 + 99 96 179 1 120.0100513 405.513280 + 98 130 188 1 110.1500475 392.961280 + 98 130 189 1 110.1500475 392.961280 + 98 130 190 1 110.1500475 392.961280 + 95 97 180 1 120.0100513 405.513280 + 93 89 177 1 120.0100513 405.513280 + 92 89 177 1 120.0100513 405.513280 + 92 91 178 1 120.0100513 405.513280 + 90 131 191 1 110.1500475 392.961280 + 90 131 192 1 110.1500475 392.961280 + 90 131 193 1 110.1500475 392.961280 + 88 91 178 1 120.0100513 405.513280 + 80 76 174 1 120.0100513 405.513280 + 80 77 175 1 120.0100513 405.513280 + 79 76 174 1 120.0100513 405.513280 + 79 78 176 1 120.0100513 405.513280 + 75 21 140 1 109.6600471 393.547040 + 75 77 175 1 120.0100513 405.513280 + 75 78 176 1 120.0100513 405.513280 + 74 70 171 1 120.0100513 405.513280 + 74 71 172 1 120.0100513 405.513280 + 73 70 171 1 120.0100513 405.513280 + 73 72 173 1 120.0100513 405.513280 + 69 34 144 1 109.6600471 393.547040 + 69 71 172 1 120.0100513 405.513280 + 69 72 173 1 120.0100513 405.513280 + 68 64 168 1 120.0100513 405.513280 + 68 65 169 1 120.0100513 405.513280 + 67 64 168 1 120.0100513 405.513280 + 67 66 170 1 120.0100513 405.513280 + 63 40 148 1 109.6600471 393.547040 + 63 65 169 1 120.0100513 405.513280 + 63 66 170 1 120.0100513 405.513280 + 62 58 165 1 120.0100513 405.513280 + 62 59 166 1 120.0100513 405.513280 + 61 58 165 1 120.0100513 405.513280 + 61 60 167 1 120.0100513 405.513280 + 57 9 136 1 109.6600471 393.547040 + 57 59 166 1 120.0100513 405.513280 + 57 60 167 1 120.0100513 405.513280 + 55 54 163 1 109.6800468 394.969600 + 55 54 164 1 109.6800468 394.969600 + 54 53 161 1 110.0500475 388.024160 + 54 53 162 1 110.0500475 388.024160 + 53 38 147 1 110.0500475 388.024160 + 53 54 163 1 110.0500475 388.024160 + 53 54 164 1 110.0500475 388.024160 + 51 50 159 1 109.6800468 394.969600 + 51 50 160 1 109.6800468 394.969600 + 50 49 157 1 110.0500475 388.024160 + 50 49 158 1 110.0500475 388.024160 + 49 24 141 1 110.0500475 388.024160 + 49 50 159 1 110.0500475 388.024160 + 49 50 160 1 110.0500475 388.024160 + 47 46 155 1 109.6800468 394.969600 + 47 46 156 1 109.6800468 394.969600 + 46 45 153 1 110.0500475 388.024160 + 46 45 154 1 110.0500475 388.024160 + 45 8 135 1 110.0500475 388.024160 + 45 46 155 1 110.0500475 388.024160 + 45 46 156 1 110.0500475 388.024160 + 43 42 151 1 109.6800468 394.969600 + 43 42 152 1 109.6800468 394.969600 + 42 41 149 1 110.0500475 388.024160 + 42 41 150 1 110.0500475 388.024160 + 41 18 139 1 110.0500475 388.024160 + 41 42 151 1 110.0500475 388.024160 + 41 42 152 1 110.0500475 388.024160 + 39 37 146 1 120.0100513 405.513280 + 39 38 147 1 110.1500475 392.961280 + 38 53 161 1 110.0500475 388.024160 + 38 53 162 1 110.0500475 388.024160 + 36 35 145 1 120.0100513 405.513280 + 36 38 147 1 110.1500475 392.961280 + 33 34 144 1 108.5800463 425.429120 + 32 34 144 1 108.5800463 425.429120 + 31 30 143 1 120.0100513 405.513280 + 29 28 142 1 120.0100513 405.513280 + 27 30 143 1 120.0100513 405.513280 + 26 40 148 1 108.5800463 425.429120 + 25 24 141 1 110.1500475 392.961280 + 25 35 145 1 120.0100513 405.513280 + 24 49 157 1 110.0500475 388.024160 + 24 49 158 1 110.0500475 388.024160 + 23 40 148 1 108.5800463 425.429120 + 22 21 140 1 108.5800463 425.429120 + 20 28 142 1 120.0100513 405.513280 + 19 18 139 1 110.1500475 392.961280 + 19 37 146 1 120.0100513 405.513280 + 18 41 149 1 110.0500475 388.024160 + 18 41 150 1 110.0500475 388.024160 + 17 21 140 1 108.5800463 425.429120 + 16 14 138 1 120.0100513 405.513280 + 15 13 137 1 120.0100513 405.513280 + 15 18 139 1 110.1500475 392.961280 + 12 8 135 1 110.1500475 392.961280 + 12 13 137 1 120.0100513 405.513280 + 11 14 138 1 120.0100513 405.513280 + 10 9 136 1 108.5800463 425.429120 + 8 45 153 1 110.0500475 388.024160 + 8 45 154 1 110.0500475 388.024160 + 7 9 136 1 108.5800463 425.429120 + 6 3 133 1 120.0100513 405.513280 + 6 8 135 1 110.1500475 392.961280 + 4 5 134 1 120.0100513 405.513280 + 2 5 134 1 120.0100513 405.513280 + 1 3 133 1 120.0100513 405.513280 + 1 24 141 1 110.1500475 392.961280 + +[ dihedrals ] +; ai aj ak al funct c0 c1 c2 c3 c4 c5 + 126 123 125 128 1 180.0000771 15.1670000 2 + 126 123 125 129 1 180.0000771 15.1670000 2 + 126 127 124 128 1 180.0000771 15.1670000 2 + 125 123 126 127 1 180.0000771 15.1670000 2 + 125 128 124 127 1 180.0000771 15.1670000 2 + 124 128 125 129 1 180.0000771 15.1670000 2 + 123 125 128 124 1 180.0000771 15.1670000 2 + 123 126 127 124 1 180.0000771 15.1670000 2 + 118 109 127 124 1 180.0000771 4.1840000 2 + 118 109 127 126 1 180.0000771 4.1840000 2 + 110 109 127 124 1 180.0000771 4.1840000 2 + 110 109 127 126 1 180.0000771 4.1840000 2 + 109 127 124 128 1 180.0000771 15.1670000 2 + 109 127 126 123 1 180.0000771 15.1670000 2 + 105 102 106 107 1 180.0000771 15.1670000 2 + 104 101 103 106 1 180.0000771 15.1670000 2 + 104 105 102 106 1 180.0000771 15.1670000 2 + 103 101 104 105 1 180.0000771 15.1670000 2 + 103 101 104 132 1 180.0000771 15.1670000 2 + 103 106 102 105 1 180.0000771 15.1670000 2 + 103 106 107 108 1 180.0000771 4.1840000 2 + 103 106 107 119 1 180.0000771 4.1840000 2 + 102 105 104 132 1 180.0000771 15.1670000 2 + 102 106 107 108 1 180.0000771 4.1840000 2 + 102 106 107 119 1 180.0000771 4.1840000 2 + 101 103 106 102 1 180.0000771 15.1670000 2 + 101 103 106 107 1 180.0000771 15.1670000 2 + 101 104 105 102 1 180.0000771 15.1670000 2 + 99 96 100 111 1 180.0000771 15.1670000 2 + 98 95 97 100 1 180.0000771 15.1670000 2 + 98 99 96 100 1 180.0000771 15.1670000 2 + 97 95 98 99 1 180.0000771 15.1670000 2 + 97 95 98 130 1 180.0000771 15.1670000 2 + 97 100 96 99 1 180.0000771 15.1670000 2 + 97 100 111 112 1 180.0000771 4.1840000 2 + 97 100 111 121 1 180.0000771 4.1840000 2 + 96 99 98 130 1 180.0000771 15.1670000 2 + 96 100 111 112 1 180.0000771 4.1840000 2 + 96 100 111 121 1 180.0000771 4.1840000 2 + 95 97 100 96 1 180.0000771 15.1670000 2 + 95 97 100 111 1 180.0000771 15.1670000 2 + 95 98 99 96 1 180.0000771 15.1670000 2 + 94 93 90 131 1 180.0000771 15.1670000 2 + 93 89 92 116 1 180.0000771 15.1670000 2 + 92 89 93 94 1 180.0000771 15.1670000 2 + 91 88 90 93 1 180.0000771 15.1670000 2 + 91 88 90 131 1 180.0000771 15.1670000 2 + 91 92 89 93 1 180.0000771 15.1670000 2 + 91 92 116 117 1 180.0000771 4.1840000 2 + 91 92 116 120 1 180.0000771 4.1840000 2 + 90 88 91 92 1 180.0000771 15.1670000 2 + 90 93 89 92 1 180.0000771 15.1670000 2 + 89 92 116 117 1 180.0000771 4.1840000 2 + 89 92 116 120 1 180.0000771 4.1840000 2 + 89 93 90 131 1 180.0000771 15.1670000 2 + 88 90 93 89 1 180.0000771 15.1670000 2 + 88 90 93 94 1 180.0000771 15.1670000 2 + 88 91 92 89 1 180.0000771 15.1670000 2 + 88 91 92 116 1 180.0000771 15.1670000 2 + 87 128 124 127 1 180.0000771 15.1670000 2 + 87 128 125 123 1 180.0000771 15.1670000 2 + 87 128 125 129 1 180.0000771 15.1670000 2 + 86 105 102 106 1 180.0000771 15.1670000 2 + 86 105 104 101 1 180.0000771 15.1670000 2 + 86 105 104 132 1 180.0000771 15.1670000 2 + 85 123 125 128 1 180.0000771 15.1670000 2 + 85 123 125 129 1 180.0000771 15.1670000 2 + 85 123 126 127 1 180.0000771 15.1670000 2 + 84 95 97 100 1 180.0000771 15.1670000 2 + 84 95 98 99 1 180.0000771 15.1670000 2 + 84 95 98 130 1 180.0000771 15.1670000 2 + 83 101 103 106 1 180.0000771 15.1670000 2 + 83 101 104 105 1 180.0000771 15.1670000 2 + 83 101 104 132 1 180.0000771 15.1670000 2 + 82 88 90 93 1 180.0000771 15.1670000 2 + 82 88 90 131 1 180.0000771 15.1670000 2 + 82 88 91 92 1 180.0000771 15.1670000 2 + 81 99 96 100 1 180.0000771 15.1670000 2 + 81 99 98 95 1 180.0000771 15.1670000 2 + 81 99 98 130 1 180.0000771 15.1670000 2 + 80 76 79 87 1 180.0000771 15.1670000 2 + 80 86 105 102 1 180.0000771 3.7656000 2 + 80 86 105 104 1 180.0000771 3.7656000 2 + 79 76 80 86 1 180.0000771 15.1670000 2 + 79 87 128 124 1 180.0000771 3.7656000 2 + 79 87 128 125 1 180.0000771 3.7656000 2 + 78 75 77 80 1 180.0000771 15.1670000 2 + 78 79 76 80 1 180.0000771 15.1670000 2 + 78 79 87 128 1 180.0000771 3.7656000 2 + 77 75 78 79 1 180.0000771 15.1670000 2 + 77 80 76 79 1 180.0000771 15.1670000 2 + 77 80 86 105 1 180.0000771 3.7656000 2 + 76 79 87 128 1 180.0000771 3.7656000 2 + 76 80 86 105 1 180.0000771 3.7656000 2 + 75 77 80 76 1 180.0000771 15.1670000 2 + 75 77 80 86 1 180.0000771 15.1670000 2 + 75 78 79 76 1 180.0000771 15.1670000 2 + 75 78 79 87 1 180.0000771 15.1670000 2 + 74 70 73 82 1 180.0000771 15.1670000 2 + 74 83 101 103 1 180.0000771 3.7656000 2 + 74 83 101 104 1 180.0000771 3.7656000 2 + 73 70 74 83 1 180.0000771 15.1670000 2 + 73 82 88 90 1 180.0000771 3.7656000 2 + 73 82 88 91 1 180.0000771 3.7656000 2 + 72 69 71 74 1 180.0000771 15.1670000 2 + 72 73 70 74 1 180.0000771 15.1670000 2 + 72 73 82 88 1 180.0000771 3.7656000 2 + 71 69 72 73 1 180.0000771 15.1670000 2 + 71 74 70 73 1 180.0000771 15.1670000 2 + 71 74 83 101 1 180.0000771 3.7656000 2 + 70 73 82 88 1 180.0000771 3.7656000 2 + 70 74 83 101 1 180.0000771 3.7656000 2 + 69 71 74 70 1 180.0000771 15.1670000 2 + 69 71 74 83 1 180.0000771 15.1670000 2 + 69 72 73 70 1 180.0000771 15.1670000 2 + 69 72 73 82 1 180.0000771 15.1670000 2 + 68 64 67 81 1 180.0000771 15.1670000 2 + 68 94 93 89 1 180.0000771 3.7656000 2 + 68 94 93 90 1 180.0000771 3.7656000 2 + 67 64 68 94 1 180.0000771 15.1670000 2 + 67 81 99 96 1 180.0000771 3.7656000 2 + 67 81 99 98 1 180.0000771 3.7656000 2 + 66 63 65 68 1 180.0000771 15.1670000 2 + 66 67 64 68 1 180.0000771 15.1670000 2 + 66 67 81 99 1 180.0000771 3.7656000 2 + 65 63 66 67 1 180.0000771 15.1670000 2 + 65 68 64 67 1 180.0000771 15.1670000 2 + 65 68 94 93 1 180.0000771 3.7656000 2 + 64 67 81 99 1 180.0000771 3.7656000 2 + 64 68 94 93 1 180.0000771 3.7656000 2 + 63 65 68 64 1 180.0000771 15.1670000 2 + 63 65 68 94 1 180.0000771 15.1670000 2 + 63 66 67 64 1 180.0000771 15.1670000 2 + 63 66 67 81 1 180.0000771 15.1670000 2 + 62 58 61 84 1 180.0000771 15.1670000 2 + 62 85 123 125 1 180.0000771 3.7656000 2 + 62 85 123 126 1 180.0000771 3.7656000 2 + 61 58 62 85 1 180.0000771 15.1670000 2 + 61 84 95 97 1 180.0000771 3.7656000 2 + 61 84 95 98 1 180.0000771 3.7656000 2 + 60 57 59 62 1 180.0000771 15.1670000 2 + 60 61 58 62 1 180.0000771 15.1670000 2 + 60 61 84 95 1 180.0000771 3.7656000 2 + 59 57 60 61 1 180.0000771 15.1670000 2 + 59 62 58 61 1 180.0000771 15.1670000 2 + 59 62 85 123 1 180.0000771 3.7656000 2 + 58 61 84 95 1 180.0000771 3.7656000 2 + 58 62 85 123 1 180.0000771 3.7656000 2 + 57 59 62 58 1 180.0000771 15.1670000 2 + 57 59 62 85 1 180.0000771 15.1670000 2 + 57 60 61 58 1 180.0000771 15.1670000 2 + 57 60 61 84 1 180.0000771 15.1670000 2 + 53 54 55 56 1 180.0000771 0.0000000 2 + 53 54 55 114 1 180.0000771 0.0000000 2 + 49 50 51 52 1 180.0000771 0.0000000 2 + 49 50 51 115 1 180.0000771 0.0000000 2 + 45 46 47 48 1 180.0000771 0.0000000 2 + 45 46 47 122 1 180.0000771 0.0000000 2 + 41 42 43 44 1 180.0000771 0.0000000 2 + 41 42 43 113 1 180.0000771 0.0000000 2 + 40 63 65 68 1 180.0000771 15.1670000 2 + 40 63 66 67 1 180.0000771 15.1670000 2 + 39 38 53 54 1 0.0000000 0.6508444 3 + 38 53 54 55 1 0.0000000 0.6508444 3 + 37 19 18 41 1 0.0000000 0.0000000 2 + 37 39 38 53 1 0.0000000 0.0000000 2 + 36 38 39 37 1 0.0000000 0.0000000 2 + 36 38 53 54 1 0.0000000 0.6508444 3 + 35 25 24 49 1 0.0000000 0.0000000 2 + 35 36 38 39 1 0.0000000 0.0000000 2 + 35 36 38 53 1 0.0000000 0.0000000 2 + 34 32 29 39 1 180.0000771 3.7656000 2 + 34 33 31 36 1 180.0000771 3.7656000 2 + 34 69 71 74 1 180.0000771 15.1670000 2 + 34 69 72 73 1 180.0000771 15.1670000 2 + 33 31 36 35 1 180.0000771 15.1670000 2 + 33 31 36 38 1 180.0000771 15.1670000 2 + 33 34 69 71 1 0.0000000 0.0000000 2 + 33 34 69 72 1 0.0000000 0.0000000 2 + 32 29 39 37 1 180.0000771 15.1670000 2 + 32 29 39 38 1 180.0000771 15.1670000 2 + 32 34 69 71 1 0.0000000 0.0000000 2 + 32 34 69 72 1 0.0000000 0.0000000 2 + 31 33 34 32 1 0.0000000 1.6038667 3 + 31 33 34 69 1 0.0000000 1.6038667 3 + 31 36 38 39 1 0.0000000 0.0000000 2 + 31 36 38 53 1 0.0000000 0.0000000 2 + 30 27 25 35 1 180.0000771 15.1670000 2 + 30 27 26 40 1 180.0000771 3.7656000 2 + 30 31 33 34 1 180.0000771 3.7656000 2 + 30 31 36 35 1 180.0000771 15.1670000 2 + 30 31 36 38 1 180.0000771 15.1670000 2 + 29 32 34 33 1 0.0000000 1.6038667 3 + 29 32 34 69 1 0.0000000 1.6038667 3 + 29 39 38 36 1 0.0000000 0.0000000 2 + 29 39 38 53 1 0.0000000 0.0000000 2 + 28 20 19 37 1 180.0000771 15.1670000 2 + 28 29 32 34 1 180.0000771 3.7656000 2 + 28 29 39 37 1 180.0000771 15.1670000 2 + 28 29 39 38 1 180.0000771 15.1670000 2 + 27 25 24 49 1 0.0000000 0.0000000 2 + 27 25 35 36 1 180.0000771 15.1670000 2 + 27 26 40 63 1 0.0000000 1.6038667 3 + 27 30 31 33 1 180.0000771 15.1670000 2 + 27 30 31 36 1 180.0000771 15.1670000 2 + 26 27 25 35 1 180.0000771 15.1670000 2 + 26 27 30 31 1 180.0000771 15.1670000 2 + 26 40 63 65 1 0.0000000 0.0000000 2 + 26 40 63 66 1 0.0000000 0.0000000 2 + 25 24 49 50 1 0.0000000 0.6508444 3 + 25 27 26 40 1 180.0000771 3.7656000 2 + 25 27 30 31 1 180.0000771 15.1670000 2 + 25 35 36 31 1 180.0000771 15.1670000 2 + 25 35 36 38 1 180.0000771 15.1670000 2 + 24 25 27 26 1 180.0000771 15.1670000 2 + 24 25 27 30 1 180.0000771 15.1670000 2 + 24 25 35 36 1 180.0000771 15.1670000 2 + 24 49 50 51 1 0.0000000 0.6508444 3 + 24 1 4 23 1 180.0000771 15.1670000 2 + 23 40 26 27 1 0.0000000 1.6038667 3 + 23 40 63 65 1 0.0000000 0.0000000 2 + 23 40 63 66 1 0.0000000 0.0000000 2 + 22 20 19 37 1 180.0000771 15.1670000 2 + 22 20 28 29 1 180.0000771 15.1670000 2 + 22 21 75 77 1 0.0000000 0.0000000 2 + 22 21 75 78 1 0.0000000 0.0000000 2 + 21 22 20 28 1 180.0000771 3.7656000 2 + 21 75 77 80 1 180.0000771 15.1670000 2 + 21 75 78 79 1 180.0000771 15.1670000 2 + 20 19 18 41 1 0.0000000 0.0000000 2 + 20 19 37 39 1 180.0000771 15.1670000 2 + 20 22 21 75 1 0.0000000 1.6038667 3 + 20 28 29 32 1 180.0000771 15.1670000 2 + 20 28 29 39 1 180.0000771 15.1670000 2 + 19 18 41 42 1 0.0000000 0.6508444 3 + 19 20 22 21 1 180.0000771 3.7656000 2 + 19 20 28 29 1 180.0000771 15.1670000 2 + 19 37 39 29 1 180.0000771 15.1670000 2 + 19 37 39 38 1 180.0000771 15.1670000 2 + 18 19 20 22 1 180.0000771 15.1670000 2 + 18 19 20 28 1 180.0000771 15.1670000 2 + 18 19 37 39 1 180.0000771 15.1670000 2 + 18 41 42 43 1 0.0000000 0.6508444 3 + 17 16 15 18 1 180.0000771 15.1670000 2 + 17 21 22 20 1 0.0000000 1.6038667 3 + 17 21 75 77 1 0.0000000 0.0000000 2 + 17 21 75 78 1 0.0000000 0.0000000 2 + 16 15 18 19 1 0.0000000 0.0000000 2 + 16 15 18 41 1 0.0000000 0.0000000 2 + 16 17 21 22 1 0.0000000 1.6038667 3 + 16 17 21 75 1 0.0000000 1.6038667 3 + 15 16 17 21 1 180.0000771 3.7656000 2 + 15 18 19 20 1 0.0000000 0.0000000 2 + 15 18 19 37 1 0.0000000 0.0000000 2 + 15 18 41 42 1 0.0000000 0.6508444 3 + 14 16 15 18 1 180.0000771 15.1670000 2 + 14 16 17 21 1 180.0000771 3.7656000 2 + 13 12 8 45 1 0.0000000 0.0000000 2 + 13 12 11 14 1 180.0000771 15.1670000 2 + 13 15 16 14 1 180.0000771 15.1670000 2 + 13 15 16 17 1 180.0000771 15.1670000 2 + 13 15 18 19 1 0.0000000 0.0000000 2 + 13 15 18 41 1 0.0000000 0.0000000 2 + 12 8 45 46 1 0.0000000 0.6508444 3 + 12 11 14 16 1 180.0000771 15.1670000 2 + 12 13 15 16 1 180.0000771 15.1670000 2 + 12 13 15 18 1 180.0000771 15.1670000 2 + 11 10 9 57 1 0.0000000 1.6038667 3 + 11 12 8 45 1 0.0000000 0.0000000 2 + 11 12 13 15 1 180.0000771 15.1670000 2 + 11 14 16 15 1 180.0000771 15.1670000 2 + 11 14 16 17 1 180.0000771 15.1670000 2 + 10 9 57 59 1 0.0000000 0.0000000 2 + 10 9 57 60 1 0.0000000 0.0000000 2 + 10 11 12 13 1 180.0000771 15.1670000 2 + 10 11 14 16 1 180.0000771 15.1670000 2 + 9 10 11 12 1 180.0000771 3.7656000 2 + 9 10 11 14 1 180.0000771 3.7656000 2 + 9 57 59 62 1 180.0000771 15.1670000 2 + 9 57 60 61 1 180.0000771 15.1670000 2 + 8 12 11 10 1 180.0000771 15.1670000 2 + 8 12 11 14 1 180.0000771 15.1670000 2 + 8 12 13 15 1 180.0000771 15.1670000 2 + 8 45 46 47 1 0.0000000 0.6508444 3 + 7 2 6 8 1 180.0000771 15.1670000 2 + 7 9 10 11 1 0.0000000 1.6038667 3 + 7 9 57 59 1 0.0000000 0.0000000 2 + 7 9 57 60 1 0.0000000 0.0000000 2 + 6 2 7 9 1 180.0000771 3.7656000 2 + 24 1 3 6 1 180.0000771 15.1670000 2 + 6 8 12 11 1 0.0000000 0.0000000 2 + 6 8 12 13 1 0.0000000 0.0000000 2 + 6 8 45 46 1 0.0000000 0.6508444 3 + 5 2 6 8 1 180.0000771 15.1670000 2 + 5 2 7 9 1 180.0000771 3.7656000 2 + 24 1 4 5 1 180.0000771 15.1670000 2 + 5 4 23 40 1 180.0000771 3.7656000 2 + 4 1 3 6 1 180.0000771 15.1670000 2 + 4 1 24 25 1 0.0000000 0.0000000 2 + 4 1 24 49 1 0.0000000 0.0000000 2 + 4 5 2 6 1 180.0000771 15.1670000 2 + 4 5 2 7 1 180.0000771 15.1670000 2 + 4 23 40 26 1 0.0000000 1.6038667 3 + 4 23 40 63 1 0.0000000 1.6038667 3 + 3 1 4 5 1 180.0000771 15.1670000 2 + 3 1 4 23 1 180.0000771 15.1670000 2 + 3 1 24 25 1 0.0000000 0.0000000 2 + 3 1 24 49 1 0.0000000 0.0000000 2 + 3 6 2 5 1 180.0000771 15.1670000 2 + 3 6 2 7 1 180.0000771 15.1670000 2 + 3 6 8 12 1 0.0000000 0.0000000 2 + 3 6 8 45 1 0.0000000 0.0000000 2 + 2 5 4 23 1 180.0000771 15.1670000 2 + 2 6 8 12 1 0.0000000 0.0000000 2 + 2 6 8 45 1 0.0000000 0.0000000 2 + 2 7 9 10 1 0.0000000 1.6038667 3 + 2 7 9 57 1 0.0000000 1.6038667 3 + 1 3 6 2 1 180.0000771 15.1670000 2 + 1 3 6 8 1 180.0000771 15.1670000 2 + 1 4 5 2 1 180.0000771 15.1670000 2 + 1 4 23 40 1 180.0000771 3.7656000 2 + 1 24 25 27 1 0.0000000 0.0000000 2 + 1 24 25 35 1 0.0000000 0.0000000 2 + 1 24 49 50 1 0.0000000 0.6508444 3 + 124 125 128 87 4 180.0000771 4.6024000 2 + 109 124 127 126 4 180.0000771 4.6024000 2 + 123 128 125 129 4 180.0000771 4.6024000 2 + 125 126 123 85 4 180.0000771 4.6024000 2 + 92 117 116 120 4 180.0000771 4.6024000 2 + 100 112 111 121 4 180.0000771 4.6024000 2 + 127 110 109 118 4 180.0000771 4.6024000 2 + 106 108 107 119 4 180.0000771 4.6024000 2 + 107 102 106 103 4 180.0000771 4.6024000 2 + 102 104 105 86 4 180.0000771 4.6024000 2 + 132 101 104 105 4 180.0000771 4.6024000 2 + 103 104 101 83 4 180.0000771 4.6024000 2 + 111 96 100 97 4 180.0000771 4.6024000 2 + 96 98 99 81 4 180.0000771 4.6024000 2 + 130 95 98 99 4 180.0000771 4.6024000 2 + 97 98 95 84 4 180.0000771 4.6024000 2 + 89 90 93 94 4 180.0000771 4.6024000 2 + 116 89 92 91 4 180.0000771 4.6024000 2 + 131 88 90 93 4 180.0000771 4.6024000 2 + 90 91 88 82 4 180.0000771 4.6024000 2 + 76 77 80 86 4 180.0000771 4.6024000 2 + 76 78 79 87 4 180.0000771 4.6024000 2 + 21 77 75 78 4 180.0000771 4.6024000 2 + 70 71 74 83 4 180.0000771 4.6024000 2 + 70 72 73 82 4 180.0000771 4.6024000 2 + 34 71 69 72 4 180.0000771 4.6024000 2 + 64 65 68 94 4 180.0000771 4.6024000 2 + 64 66 67 81 4 180.0000771 4.6024000 2 + 40 65 63 66 4 180.0000771 4.6024000 2 + 58 59 62 85 4 180.0000771 4.6024000 2 + 58 60 61 84 4 180.0000771 4.6024000 2 + 9 59 57 60 4 180.0000771 4.6024000 2 + 54 56 55 114 4 180.0000771 4.6024000 2 + 50 52 51 115 4 180.0000771 4.6024000 2 + 46 48 47 122 4 180.0000771 4.6024000 2 + 42 44 43 113 4 180.0000771 4.6024000 2 + 38 29 39 37 4 180.0000771 4.6024000 2 + 38 31 36 35 4 180.0000771 4.6024000 2 + 30 36 31 33 4 180.0000771 4.6024000 2 + 28 39 29 32 4 180.0000771 4.6024000 2 + 25 30 27 26 4 180.0000771 4.6024000 2 + 24 27 25 35 4 180.0000771 4.6024000 2 + 19 28 20 22 4 180.0000771 4.6024000 2 + 18 20 19 37 4 180.0000771 4.6024000 2 + 14 15 16 17 4 180.0000771 4.6024000 2 + 18 13 15 16 4 180.0000771 4.6024000 2 + 8 11 12 13 4 180.0000771 4.6024000 2 + 12 14 11 10 4 180.0000771 4.6024000 2 + 8 2 6 3 4 180.0000771 4.6024000 2 + 1 5 4 23 4 180.0000771 4.6024000 2 + 5 6 2 7 4 180.0000771 4.6024000 2 + 4 1 3 24 4 180.0000771 4.6024000 2 + 162 53 54 163 1 0.0000000 0.6276000 3 + 162 53 54 164 1 0.0000000 0.6276000 3 + 161 53 54 163 1 0.0000000 0.6276000 3 + 161 53 54 164 1 0.0000000 0.6276000 3 + 158 49 50 159 1 0.0000000 0.6276000 3 + 158 49 50 160 1 0.0000000 0.6276000 3 + 157 49 50 159 1 0.0000000 0.6276000 3 + 157 49 50 160 1 0.0000000 0.6276000 3 + 154 45 46 155 1 0.0000000 0.6276000 3 + 154 45 46 156 1 0.0000000 0.6276000 3 + 153 45 46 155 1 0.0000000 0.6276000 3 + 153 45 46 156 1 0.0000000 0.6276000 3 + 150 41 42 151 1 0.0000000 0.6276000 3 + 150 41 42 152 1 0.0000000 0.6276000 3 + 149 41 42 151 1 0.0000000 0.6276000 3 + 149 41 42 152 1 0.0000000 0.6276000 3 + 147 38 53 161 1 0.0000000 0.6276000 3 + 147 38 53 162 1 0.0000000 0.6276000 3 + 141 24 49 157 1 0.0000000 0.6276000 3 + 141 24 49 158 1 0.0000000 0.6276000 3 + 139 18 41 149 1 0.0000000 0.6276000 3 + 139 18 41 150 1 0.0000000 0.6276000 3 + 135 8 45 153 1 0.0000000 0.6276000 3 + 135 8 45 154 1 0.0000000 0.6276000 3 + 128 125 129 185 1 0.0000000 0.0000000 2 + 128 125 129 186 1 0.0000000 0.0000000 2 + 128 125 129 187 1 0.0000000 0.0000000 2 + 126 127 124 183 1 180.0000771 15.1670000 2 + 125 123 126 184 1 180.0000771 15.1670000 2 + 125 128 124 183 1 180.0000771 15.1670000 2 + 124 127 126 184 1 180.0000771 15.1670000 2 + 123 125 129 185 1 0.0000000 0.0000000 2 + 123 125 129 186 1 0.0000000 0.0000000 2 + 123 125 129 187 1 0.0000000 0.0000000 2 + 122 47 46 155 1 0.0000000 3.3472000 1 + 122 47 46 155 1 180.0000771 0.3347200 3 + 122 47 46 156 1 0.0000000 3.3472000 1 + 122 47 46 156 1 180.0000771 0.3347200 3 + 116 92 89 177 1 180.0000771 15.1670000 2 + 116 92 91 178 1 180.0000771 15.1670000 2 + 115 51 50 159 1 0.0000000 3.3472000 1 + 115 51 50 159 1 180.0000771 0.3347200 3 + 115 51 50 160 1 0.0000000 3.3472000 1 + 115 51 50 160 1 180.0000771 0.3347200 3 + 114 55 54 163 1 0.0000000 3.3472000 1 + 114 55 54 163 1 180.0000771 0.3347200 3 + 114 55 54 164 1 0.0000000 3.3472000 1 + 114 55 54 164 1 180.0000771 0.3347200 3 + 113 43 42 151 1 0.0000000 3.3472000 1 + 113 43 42 151 1 180.0000771 0.3347200 3 + 113 43 42 152 1 0.0000000 3.3472000 1 + 113 43 42 152 1 180.0000771 0.3347200 3 + 111 100 96 179 1 180.0000771 15.1670000 2 + 111 100 97 180 1 180.0000771 15.1670000 2 + 109 127 124 183 1 180.0000771 15.1670000 2 + 109 127 126 184 1 180.0000771 15.1670000 2 + 107 106 102 181 1 180.0000771 15.1670000 2 + 107 106 103 182 1 180.0000771 15.1670000 2 + 105 104 132 194 1 0.0000000 0.0000000 2 + 105 104 132 195 1 0.0000000 0.0000000 2 + 105 104 132 196 1 0.0000000 0.0000000 2 + 104 101 103 182 1 180.0000771 15.1670000 2 + 104 105 102 181 1 180.0000771 15.1670000 2 + 103 106 102 181 1 180.0000771 15.1670000 2 + 102 106 103 182 1 180.0000771 15.1670000 2 + 101 104 132 194 1 0.0000000 0.0000000 2 + 101 104 132 195 1 0.0000000 0.0000000 2 + 101 104 132 196 1 0.0000000 0.0000000 2 + 99 98 130 188 1 0.0000000 0.0000000 2 + 99 98 130 189 1 0.0000000 0.0000000 2 + 99 98 130 190 1 0.0000000 0.0000000 2 + 98 95 97 180 1 180.0000771 15.1670000 2 + 98 99 96 179 1 180.0000771 15.1670000 2 + 97 100 96 179 1 180.0000771 15.1670000 2 + 96 100 97 180 1 180.0000771 15.1670000 2 + 95 98 130 188 1 0.0000000 0.0000000 2 + 95 98 130 189 1 0.0000000 0.0000000 2 + 95 98 130 190 1 0.0000000 0.0000000 2 + 94 68 64 168 1 180.0000771 15.1670000 2 + 94 68 65 169 1 180.0000771 15.1670000 2 + 94 93 89 177 1 180.0000771 15.1670000 2 + 93 90 131 191 1 0.0000000 0.0000000 2 + 93 90 131 192 1 0.0000000 0.0000000 2 + 93 90 131 193 1 0.0000000 0.0000000 2 + 91 92 89 177 1 180.0000771 15.1670000 2 + 90 88 91 178 1 180.0000771 15.1670000 2 + 90 93 89 177 1 180.0000771 15.1670000 2 + 89 92 91 178 1 180.0000771 15.1670000 2 + 88 90 131 191 1 0.0000000 0.0000000 2 + 88 90 131 192 1 0.0000000 0.0000000 2 + 88 90 131 193 1 0.0000000 0.0000000 2 + 87 79 76 174 1 180.0000771 15.1670000 2 + 87 79 78 176 1 180.0000771 15.1670000 2 + 87 128 124 183 1 180.0000771 15.1670000 2 + 86 80 76 174 1 180.0000771 15.1670000 2 + 86 80 77 175 1 180.0000771 15.1670000 2 + 86 105 102 181 1 180.0000771 15.1670000 2 + 85 62 58 165 1 180.0000771 15.1670000 2 + 85 62 59 166 1 180.0000771 15.1670000 2 + 85 123 126 184 1 180.0000771 15.1670000 2 + 84 61 58 165 1 180.0000771 15.1670000 2 + 84 61 60 167 1 180.0000771 15.1670000 2 + 84 95 97 180 1 180.0000771 15.1670000 2 + 83 74 70 171 1 180.0000771 15.1670000 2 + 83 74 71 172 1 180.0000771 15.1670000 2 + 83 101 103 182 1 180.0000771 15.1670000 2 + 82 73 70 171 1 180.0000771 15.1670000 2 + 82 73 72 173 1 180.0000771 15.1670000 2 + 82 88 91 178 1 180.0000771 15.1670000 2 + 81 67 64 168 1 180.0000771 15.1670000 2 + 81 67 66 170 1 180.0000771 15.1670000 2 + 81 99 96 179 1 180.0000771 15.1670000 2 + 78 75 21 140 1 0.0000000 0.0000000 2 + 78 75 77 175 1 180.0000771 15.1670000 2 + 78 79 76 174 1 180.0000771 15.1670000 2 + 77 75 21 140 1 0.0000000 0.0000000 2 + 77 75 78 176 1 180.0000771 15.1670000 2 + 77 80 76 174 1 180.0000771 15.1670000 2 + 76 79 78 176 1 180.0000771 15.1670000 2 + 76 80 77 175 1 180.0000771 15.1670000 2 + 72 69 34 144 1 0.0000000 0.0000000 2 + 72 69 71 172 1 180.0000771 15.1670000 2 + 72 73 70 171 1 180.0000771 15.1670000 2 + 71 69 34 144 1 0.0000000 0.0000000 2 + 71 69 72 173 1 180.0000771 15.1670000 2 + 71 74 70 171 1 180.0000771 15.1670000 2 + 70 73 72 173 1 180.0000771 15.1670000 2 + 70 74 71 172 1 180.0000771 15.1670000 2 + 66 63 40 148 1 0.0000000 0.0000000 2 + 66 63 65 169 1 180.0000771 15.1670000 2 + 66 67 64 168 1 180.0000771 15.1670000 2 + 65 63 40 148 1 0.0000000 0.0000000 2 + 65 63 66 170 1 180.0000771 15.1670000 2 + 65 68 64 168 1 180.0000771 15.1670000 2 + 64 67 66 170 1 180.0000771 15.1670000 2 + 64 68 65 169 1 180.0000771 15.1670000 2 + 60 57 9 136 1 0.0000000 0.0000000 2 + 60 57 59 166 1 180.0000771 15.1670000 2 + 60 61 58 165 1 180.0000771 15.1670000 2 + 59 57 9 136 1 0.0000000 0.0000000 2 + 59 57 60 167 1 180.0000771 15.1670000 2 + 59 62 58 165 1 180.0000771 15.1670000 2 + 58 61 60 167 1 180.0000771 15.1670000 2 + 58 62 59 166 1 180.0000771 15.1670000 2 + 56 55 54 163 1 0.0000000 3.3472000 1 + 56 55 54 163 1 180.0000771 0.3347200 3 + 56 55 54 164 1 0.0000000 3.3472000 1 + 56 55 54 164 1 180.0000771 0.3347200 3 + 55 54 53 161 1 0.0000000 0.6508444 3 + 55 54 53 162 1 0.0000000 0.6508444 3 + 54 53 38 147 1 0.0000000 0.6694400 3 + 52 51 50 159 1 0.0000000 3.3472000 1 + 52 51 50 159 1 180.0000771 0.0000000 2 + 52 51 50 159 1 180.0000771 0.3347200 3 + 52 51 50 160 1 0.0000000 3.3472000 1 + 52 51 50 160 1 180.0000771 0.0000000 2 + 52 51 50 160 1 180.0000771 0.3347200 3 + 51 50 49 157 1 0.0000000 0.6508444 3 + 51 50 49 158 1 0.0000000 0.6508444 3 + 50 49 24 141 1 0.0000000 0.6694400 3 + 48 47 46 155 1 0.0000000 3.3472000 1 + 48 47 46 155 1 180.0000771 0.0000000 2 + 48 47 46 155 1 180.0000771 0.3347200 3 + 48 47 46 156 1 0.0000000 3.3472000 1 + 48 47 46 156 1 180.0000771 0.0000000 2 + 48 47 46 156 1 180.0000771 0.3347200 3 + 47 46 45 153 1 0.0000000 0.6508444 3 + 47 46 45 154 1 0.0000000 0.6508444 3 + 46 45 8 135 1 0.0000000 0.6694400 3 + 44 43 42 151 1 0.0000000 3.3472000 1 + 44 43 42 151 1 180.0000771 0.0000000 2 + 44 43 42 151 1 180.0000771 0.3347200 3 + 44 43 42 152 1 0.0000000 3.3472000 1 + 44 43 42 152 1 180.0000771 0.0000000 2 + 44 43 42 152 1 180.0000771 0.3347200 3 + 43 42 41 149 1 0.0000000 0.6508444 3 + 43 42 41 150 1 0.0000000 0.6508444 3 + 42 41 18 139 1 0.0000000 0.6694400 3 + 40 63 65 169 1 180.0000771 15.1670000 2 + 40 63 66 170 1 180.0000771 15.1670000 2 + 39 29 28 142 1 180.0000771 15.1670000 2 + 39 38 53 161 1 0.0000000 0.6508444 3 + 39 38 53 162 1 0.0000000 0.6508444 3 + 38 36 35 145 1 180.0000771 15.1670000 2 + 38 39 37 146 1 180.0000771 15.1670000 2 + 38 53 54 163 1 0.0000000 0.6694400 3 + 38 53 54 164 1 0.0000000 0.6694400 3 + 37 19 18 139 1 0.0000000 0.0000000 2 + 37 39 38 147 1 0.0000000 0.0000000 2 + 36 31 30 143 1 180.0000771 15.1670000 2 + 36 38 53 161 1 0.0000000 0.6508444 3 + 36 38 53 162 1 0.0000000 0.6508444 3 + 35 25 24 141 1 0.0000000 0.0000000 2 + 35 36 38 147 1 0.0000000 0.0000000 2 + 34 69 71 172 1 180.0000771 15.1670000 2 + 34 69 72 173 1 180.0000771 15.1670000 2 + 33 31 30 143 1 180.0000771 15.1670000 2 + 32 29 28 142 1 180.0000771 15.1670000 2 + 31 33 34 144 1 0.0000000 1.6038667 3 + 31 36 35 145 1 180.0000771 15.1670000 2 + 31 36 38 147 1 0.0000000 0.0000000 2 + 29 32 34 144 1 0.0000000 1.6038667 3 + 29 39 37 146 1 180.0000771 15.1670000 2 + 29 39 38 147 1 0.0000000 0.0000000 2 + 27 25 24 141 1 0.0000000 0.0000000 2 + 27 25 35 145 1 180.0000771 15.1670000 2 + 27 26 40 148 1 0.0000000 1.6038667 3 + 26 27 30 143 1 180.0000771 15.1670000 2 + 25 24 49 157 1 0.0000000 0.6508444 3 + 25 24 49 158 1 0.0000000 0.6508444 3 + 25 27 30 143 1 180.0000771 15.1670000 2 + 24 1 3 133 1 180.0000771 15.1670000 2 + 24 25 35 145 1 180.0000771 15.1670000 2 + 24 49 50 159 1 0.0000000 0.6694400 3 + 24 49 50 160 1 0.0000000 0.6694400 3 + 23 4 5 134 1 180.0000771 15.1670000 2 + 22 20 28 142 1 180.0000771 15.1670000 2 + 21 75 77 175 1 180.0000771 15.1670000 2 + 21 75 78 176 1 180.0000771 15.1670000 2 + 20 19 18 139 1 0.0000000 0.0000000 2 + 20 19 37 146 1 180.0000771 15.1670000 2 + 20 22 21 140 1 0.0000000 1.6038667 3 + 19 18 41 149 1 0.0000000 0.6508444 3 + 19 18 41 150 1 0.0000000 0.6508444 3 + 19 20 28 142 1 180.0000771 15.1670000 2 + 18 15 13 137 1 180.0000771 15.1670000 2 + 18 19 37 146 1 180.0000771 15.1670000 2 + 18 41 42 151 1 0.0000000 0.6694400 3 + 18 41 42 152 1 0.0000000 0.6694400 3 + 17 16 14 138 1 180.0000771 15.1670000 2 + 16 15 13 137 1 180.0000771 15.1670000 2 + 16 15 18 139 1 0.0000000 0.0000000 2 + 16 17 21 140 1 0.0000000 1.6038667 3 + 15 16 14 138 1 180.0000771 15.1670000 2 + 15 18 41 149 1 0.0000000 0.6508444 3 + 15 18 41 150 1 0.0000000 0.6508444 3 + 13 12 8 135 1 0.0000000 0.0000000 2 + 13 15 18 139 1 0.0000000 0.0000000 2 + 12 8 45 153 1 0.0000000 0.6508444 3 + 12 8 45 154 1 0.0000000 0.6508444 3 + 12 11 14 138 1 180.0000771 15.1670000 2 + 11 10 9 136 1 0.0000000 1.6038667 3 + 11 12 8 135 1 0.0000000 0.0000000 2 + 11 12 13 137 1 180.0000771 15.1670000 2 + 10 11 14 138 1 180.0000771 15.1670000 2 + 9 57 59 166 1 180.0000771 15.1670000 2 + 9 57 60 167 1 180.0000771 15.1670000 2 + 8 6 3 133 1 180.0000771 15.1670000 2 + 8 12 13 137 1 180.0000771 15.1670000 2 + 8 45 46 155 1 0.0000000 0.6694400 3 + 8 45 46 156 1 0.0000000 0.6694400 3 + 7 2 5 134 1 180.0000771 15.1670000 2 + 6 2 5 134 1 180.0000771 15.1670000 2 + 6 8 45 153 1 0.0000000 0.6508444 3 + 6 8 45 154 1 0.0000000 0.6508444 3 + 4 1 3 133 1 180.0000771 15.1670000 2 + 4 1 24 141 1 0.0000000 0.0000000 2 + 4 23 40 148 1 0.0000000 1.6038667 3 + 3 1 24 141 1 0.0000000 0.0000000 2 + 3 6 8 135 1 0.0000000 0.0000000 2 + 2 6 3 133 1 180.0000771 15.1670000 2 + 2 6 8 135 1 0.0000000 0.0000000 2 + 2 7 9 136 1 0.0000000 1.6038667 3 + 1 4 5 134 1 180.0000771 15.1670000 2 + 1 24 49 157 1 0.0000000 0.6508444 3 + 1 24 49 158 1 0.0000000 0.6508444 3 + 123 127 126 184 4 180.0000771 4.6024000 2 + 127 128 124 183 4 180.0000771 4.6024000 2 + 101 106 103 182 4 180.0000771 4.6024000 2 + 105 106 102 181 4 180.0000771 4.6024000 2 + 95 100 97 180 4 180.0000771 4.6024000 2 + 99 100 96 179 4 180.0000771 4.6024000 2 + 88 92 91 178 4 180.0000771 4.6024000 2 + 92 93 89 177 4 180.0000771 4.6024000 2 + 75 79 78 176 4 180.0000771 4.6024000 2 + 75 80 77 175 4 180.0000771 4.6024000 2 + 79 80 76 174 4 180.0000771 4.6024000 2 + 69 73 72 173 4 180.0000771 4.6024000 2 + 69 74 71 172 4 180.0000771 4.6024000 2 + 73 74 70 171 4 180.0000771 4.6024000 2 + 63 67 66 170 4 180.0000771 4.6024000 2 + 63 68 65 169 4 180.0000771 4.6024000 2 + 67 68 64 168 4 180.0000771 4.6024000 2 + 57 61 60 167 4 180.0000771 4.6024000 2 + 57 62 59 166 4 180.0000771 4.6024000 2 + 61 62 58 165 4 180.0000771 4.6024000 2 + 19 39 37 146 4 180.0000771 4.6024000 2 + 25 36 35 145 4 180.0000771 4.6024000 2 + 27 31 30 143 4 180.0000771 4.6024000 2 + 20 29 28 142 4 180.0000771 4.6024000 2 + 11 16 14 138 4 180.0000771 4.6024000 2 + 12 15 13 137 4 180.0000771 4.6024000 2 + 2 4 5 134 4 180.0000771 4.6024000 2 + 1 6 3 133 4 180.0000771 4.6024000 2 + + +[ moleculetype ] +; Name nrexcl +Na+ 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 Na+ rtp Na+ q 1.0 + 1 Na+ 1 Na+ Na+ 1 1.00000000 22.990000 ; qtot 1.000000 + + +[ moleculetype ] +; Name nrexcl +WAT 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 WAT rtp WAT q 0.0 + 1 OW 1 WAT O 1 -0.83400000 16.000000 ; qtot -0.834000 + 2 HW 1 WAT H1 2 0.41700000 1.008000 ; qtot -0.417000 + 3 HW 1 WAT H2 3 0.41700000 1.008000 ; qtot 0.000000 + +#ifdef FLEXIBLE + +[ bonds ] +; ai aj funct c0 c1 c2 c3 + 2 1 1 0.09572 462750.400000 + 3 1 1 0.09572 462750.400000 + 3 2 1 0.15136 462750.400000 + + +#else + +[ settles ] +; i funct doh dhh +1 1 0.09572000 0.15136000 + +#endif + +[ exclusions ] +1 2 3 +2 1 3 +3 1 2 + +[ system ] +; Name +Generic title + +[ molecules ] +; Compound #mols +MOL 1 +OCB 1 +Na+ 9 +WAT 2100