# Initialisation file of the particles 100 atoms 99 bonds 98 angles 97 dihedrals 3 atom types 2 bond types 2 angle types 2 dihedral types 0.0000 158.5000 xlo xhi 0.0000 158.5000 ylo yhi 0.0000 158.5000 zlo zhi Masses 1 14.02 2 14.02 3 14.02 Atoms # atomic 1 1 2 0.0 0.0 0.0 2 1 3 1.5 1.5 1.5 3 1 1 3.0 3.0 3.0 4 1 1 4.5 4.5 4.5 5 1 2 6.0 6.0 6.0 6 1 1 7.5 7.5 7.5 7 1 1 9.0 9.0 9.0 8 1 3 10.5 10.5 10.5 9 1 1 12.0 12.0 12.0 10 1 2 13.5 13.5 13.5 11 1 3 15.0 15.0 15.0 12 1 3 16.5 16.5 16.5 13 1 2 18.0 18.0 18.0 14 1 3 19.5 19.5 19.5 15 1 2 21.0 21.0 21.0 16 1 3 22.5 22.5 22.5 17 1 2 24.0 24.0 24.0 18 1 3 25.5 25.5 25.5 19 1 2 27.0 27.0 27.0 20 1 2 28.5 28.5 28.5 21 1 3 30.0 30.0 30.0 22 1 3 31.5 31.5 31.5 23 1 2 33.0 33.0 33.0 24 1 1 34.5 34.5 34.5 25 1 1 36.0 36.0 36.0 26 1 2 37.5 37.5 37.5 27 1 1 39.0 39.0 39.0 28 1 3 40.5 40.5 40.5 29 1 3 42.0 42.0 42.0 30 1 2 43.5 43.5 43.5 31 1 3 45.0 45.0 45.0 32 1 3 46.5 46.5 46.5 33 1 2 48.0 48.0 48.0 34 1 2 49.5 49.5 49.5 35 1 1 51.0 51.0 51.0 36 1 1 52.5 52.5 52.5 37 1 1 54.0 54.0 54.0 38 1 3 55.5 55.5 55.5 39 1 3 57.0 57.0 57.0 40 1 1 58.5 58.5 58.5 41 1 1 60.0 60.0 60.0 42 1 1 61.5 61.5 61.5 43 1 2 63.0 63.0 63.0 44 1 3 64.5 64.5 64.5 45 1 1 66.0 66.0 66.0 46 1 1 67.5 67.5 67.5 47 1 3 69.0 69.0 69.0 48 1 1 70.5 70.5 70.5 49 1 3 72.0 72.0 72.0 50 1 3 73.5 73.5 73.5 51 1 2 75.0 75.0 75.0 52 1 3 76.5 76.5 76.5 53 1 2 78.0 78.0 78.0 54 1 3 79.5 79.5 79.5 55 1 2 81.0 81.0 81.0 56 1 1 82.5 82.5 82.5 57 1 1 84.0 84.0 84.0 58 1 2 85.5 85.5 85.5 59 1 2 87.0 87.0 87.0 60 1 3 88.5 88.5 88.5 61 1 3 90.0 90.0 90.0 62 1 3 91.5 91.5 91.5 63 1 2 93.0 93.0 93.0 64 1 3 94.5 94.5 94.5 65 1 1 96.0 96.0 96.0 66 1 3 97.5 97.5 97.5 67 1 1 99.0 99.0 99.0 68 1 3 100.5 100.5 100.5 69 1 1 102.0 102.0 102.0 70 1 2 103.5 103.5 103.5 71 1 1 105.0 105.0 105.0 72 1 1 106.5 106.5 106.5 73 1 2 108.0 108.0 108.0 74 1 2 109.5 109.5 109.5 75 1 2 111.0 111.0 111.0 76 1 3 112.5 112.5 112.5 77 1 1 114.0 114.0 114.0 78 1 3 115.5 115.5 115.5 79 1 1 117.0 117.0 117.0 80 1 2 118.5 118.5 118.5 81 1 1 120.0 120.0 120.0 82 1 1 121.5 121.5 121.5 83 1 3 123.0 123.0 123.0 84 1 1 124.5 124.5 124.5 85 1 3 126.0 126.0 126.0 86 1 1 127.5 127.5 127.5 87 1 1 129.0 129.0 129.0 88 1 3 130.5 130.5 130.5 89 1 1 132.0 132.0 132.0 90 1 3 133.5 133.5 133.5 91 1 1 135.0 135.0 135.0 92 1 3 136.5 136.5 136.5 93 1 2 138.0 138.0 138.0 94 1 2 139.5 139.5 139.5 95 1 3 141.0 141.0 141.0 96 1 3 142.5 142.5 142.5 97 1 2 144.0 144.0 144.0 98 1 1 145.5 145.5 145.5 99 1 3 147.0 147.0 147.0 100 1 1 148.5 148.5 148.5 Bonds 1 1 1 2 2 1 2 3 3 1 3 4 4 1 4 5 5 1 5 6 6 1 6 7 7 1 7 8 8 1 8 9 9 1 9 10 10 1 10 11 11 2 11 12 12 1 12 13 13 1 13 14 14 1 14 15 15 1 15 16 16 1 16 17 17 1 17 18 18 1 18 19 19 1 19 20 20 1 20 21 21 2 21 22 22 1 22 23 23 1 23 24 24 1 24 25 25 1 25 26 26 1 26 27 27 1 27 28 28 2 28 29 29 1 29 30 30 1 30 31 31 2 31 32 32 1 32 33 33 1 33 34 34 1 34 35 35 1 35 36 36 1 36 37 37 1 37 38 38 2 38 39 39 1 39 40 40 1 40 41 41 1 41 42 42 1 42 43 43 1 43 44 44 1 44 45 45 1 45 46 46 1 46 47 47 1 47 48 48 1 48 49 49 2 49 50 50 1 50 51 51 1 51 52 52 1 52 53 53 1 53 54 54 1 54 55 55 1 55 56 56 1 56 57 57 1 57 58 58 1 58 59 59 1 59 60 60 2 60 61 61 2 61 62 62 1 62 63 63 1 63 64 64 1 64 65 65 1 65 66 66 1 66 67 67 1 67 68 68 1 68 69 69 1 69 70 70 1 70 71 71 1 71 72 72 1 72 73 73 1 73 74 74 1 74 75 75 1 75 76 76 1 76 77 77 1 77 78 78 1 78 79 79 1 79 80 80 1 80 81 81 1 81 82 82 1 82 83 83 1 83 84 84 1 84 85 85 1 85 86 86 1 86 87 87 1 87 88 88 1 88 89 89 1 89 90 90 1 90 91 91 1 91 92 92 1 92 93 93 1 93 94 94 1 94 95 95 2 95 96 96 1 96 97 97 1 97 98 98 1 98 99 99 1 99 100 Angles 1 1 1 2 3 2 1 2 3 4 3 1 3 4 5 4 1 4 5 6 5 1 5 6 7 6 1 6 7 8 7 1 7 8 9 8 1 8 9 10 9 1 9 10 11 10 1 10 11 12 11 1 11 12 13 12 1 12 13 14 13 1 13 14 15 14 1 14 15 16 15 1 15 16 17 16 1 16 17 18 17 1 17 18 19 18 1 18 19 20 19 1 19 20 21 20 1 20 21 22 21 1 21 22 23 22 1 22 23 24 23 1 23 24 25 24 1 24 25 26 25 1 25 26 27 26 1 26 27 28 27 1 27 28 29 28 1 28 29 30 29 1 29 30 31 30 1 30 31 32 31 1 31 32 33 32 1 32 33 34 33 1 33 34 35 34 1 34 35 36 35 1 35 36 37 36 1 36 37 38 37 1 37 38 39 38 1 38 39 40 39 1 39 40 41 40 1 40 41 42 41 1 41 42 43 42 1 42 43 44 43 1 43 44 45 44 1 44 45 46 45 1 45 46 47 46 1 46 47 48 47 1 47 48 49 48 1 48 49 50 49 1 49 50 51 50 1 50 51 52 51 1 51 52 53 52 1 52 53 54 53 1 53 54 55 54 1 54 55 56 55 1 55 56 57 56 1 56 57 58 57 1 57 58 59 58 1 58 59 60 59 1 59 60 61 60 2 60 61 62 61 1 61 62 63 62 1 62 63 64 63 1 63 64 65 64 1 64 65 66 65 1 65 66 67 66 1 66 67 68 67 1 67 68 69 68 1 68 69 70 69 1 69 70 71 70 1 70 71 72 71 1 71 72 73 72 1 72 73 74 73 1 73 74 75 74 1 74 75 76 75 1 75 76 77 76 1 76 77 78 77 1 77 78 79 78 1 78 79 80 79 1 79 80 81 80 1 80 81 82 81 1 81 82 83 82 1 82 83 84 83 1 83 84 85 84 1 84 85 86 85 1 85 86 87 86 1 86 87 88 87 1 87 88 89 88 1 88 89 90 89 1 89 90 91 90 1 90 91 92 91 1 91 92 93 92 1 92 93 94 93 1 93 94 95 94 1 94 95 96 95 1 95 96 97 96 1 96 97 98 97 1 97 98 99 98 1 98 99 100 Dihedrals 1 1 1 2 3 4 2 1 2 3 4 5 3 1 3 4 5 6 4 1 4 5 6 7 5 1 5 6 7 8 6 1 6 7 8 9 7 1 7 8 9 10 8 1 8 9 10 11 9 1 9 10 11 12 10 1 10 11 12 13 11 1 11 12 13 14 12 1 12 13 14 15 13 1 13 14 15 16 14 1 14 15 16 17 15 1 15 16 17 18 16 1 16 17 18 19 17 1 17 18 19 20 18 1 18 19 20 21 19 1 19 20 21 22 20 1 20 21 22 23 21 1 21 22 23 24 22 1 22 23 24 25 23 1 23 24 25 26 24 1 24 25 26 27 25 1 25 26 27 28 26 1 26 27 28 29 27 1 27 28 29 30 28 1 28 29 30 31 29 1 29 30 31 32 30 1 30 31 32 33 31 1 31 32 33 34 32 1 32 33 34 35 33 1 33 34 35 36 34 1 34 35 36 37 35 1 35 36 37 38 36 1 36 37 38 39 37 1 37 38 39 40 38 1 38 39 40 41 39 1 39 40 41 42 40 1 40 41 42 43 41 1 41 42 43 44 42 1 42 43 44 45 43 1 43 44 45 46 44 1 44 45 46 47 45 1 45 46 47 48 46 1 46 47 48 49 47 1 47 48 49 50 48 1 48 49 50 51 49 1 49 50 51 52 50 1 50 51 52 53 51 1 51 52 53 54 52 1 52 53 54 55 53 1 53 54 55 56 54 1 54 55 56 57 55 1 55 56 57 58 56 1 56 57 58 59 57 1 57 58 59 60 58 1 58 59 60 61 59 1 59 60 61 62 60 1 60 61 62 63 61 1 61 62 63 64 62 1 62 63 64 65 63 1 63 64 65 66 64 1 64 65 66 67 65 1 65 66 67 68 66 1 66 67 68 69 67 1 67 68 69 70 68 1 68 69 70 71 69 1 69 70 71 72 70 1 70 71 72 73 71 1 71 72 73 74 72 1 72 73 74 75 73 1 73 74 75 76 74 1 74 75 76 77 75 1 75 76 77 78 76 1 76 77 78 79 77 1 77 78 79 80 78 1 78 79 80 81 79 1 79 80 81 82 80 1 80 81 82 83 81 1 81 82 83 84 82 1 82 83 84 85 83 1 83 84 85 86 84 1 84 85 86 87 85 1 85 86 87 88 86 1 86 87 88 89 87 1 87 88 89 90 88 1 88 89 90 91 89 1 89 90 91 92 90 1 90 91 92 93 91 1 91 92 93 94 92 1 92 93 94 95 93 1 93 94 95 96 94 1 94 95 96 97 95 1 95 96 97 98 96 1 96 97 98 99 97 1 97 98 99 100