# Model for PE 100 atoms 99 bonds 98 angles 97 dihedrals 1 atom types 1 bond types 1 angle types 1 dihedral types 0.0000 158.5000 xlo xhi 0.0000 158.5000 ylo yhi 0.0000 100.0000 zlo zhi Masses 1 14.02 Atoms 1 1 1 5.6240 5.3279 51.6059 2 1 1 7.4995 7.4810 50.2541 3 1 1 8.2322 8.0236 51.2149 4 1 1 9.6108 9.9075 51.7682 5 1 1 11.5481 11.3690 50.4167 6 1 1 12.9409 13.4562 50.2481 7 1 1 14.4708 14.8569 50.0868 8 1 1 16.1916 16.4790 50.5665 9 1 1 17.1338 17.6853 51.8189 10 1 1 19.1109 19.4000 50.3869 11 1 1 20.7544 20.3463 50.8373 12 1 1 21.6557 22.3190 51.2498 13 1 1 23.7386 23.8051 50.1344 14 1 1 25.4508 24.9976 51.5103 15 1 1 26.7424 26.8311 50.3130 16 1 1 27.9573 28.1181 51.8644 17 1 1 29.8351 29.8954 51.1650 18 1 1 31.0827 31.3549 50.0697 19 1 1 32.8854 32.4077 50.0728 20 1 1 34.2461 33.6548 50.2878 21 1 1 35.6060 35.2545 50.6483 22 1 1 36.9018 36.9064 50.7724 23 1 1 38.6098 38.1669 50.3762 24 1 1 39.5946 39.8232 51.5392 25 1 1 41.2341 41.7404 51.3856 26 1 1 43.3241 43.3280 50.5867 27 1 1 44.3094 44.5230 50.6506 28 1 1 46.3318 46.3103 51.1140 29 1 1 47.2630 47.6806 50.4673 30 1 1 48.9564 48.8846 51.0772 31 1 1 50.9917 50.7552 51.9609 32 1 1 51.7348 52.0286 50.1029 33 1 1 53.7569 53.6020 51.7143 34 1 1 55.4883 55.4295 50.8190 35 1 1 56.0003 56.5409 50.4155 36 1 1 57.7193 57.8258 50.1919 37 1 1 59.7475 59.7485 51.0866 38 1 1 60.8381 61.3323 51.1051 39 1 1 62.9575 62.8928 50.7130 40 1 1 64.0464 63.8467 51.2456 41 1 1 65.7966 65.7459 50.2511 42 1 1 67.3224 66.5252 50.8289 43 1 1 68.7314 68.7814 50.7346 44 1 1 70.2449 70.3923 50.4852 45 1 1 71.1296 71.2251 50.7000 46 1 1 72.7871 73.4275 50.1026 47 1 1 74.5927 74.1629 51.6768 48 1 1 75.6676 76.0022 51.9987 49 1 1 77.3554 77.0471 50.4273 50 1 1 78.8978 78.8337 50.4592 51 1 1 80.9361 80.6832 51.9242 52 1 1 81.9380 82.4403 50.0117 53 1 1 83.6103 83.8011 50.4660 54 1 1 85.4325 85.2633 51.6529 55 1 1 86.5735 86.7926 50.6581 56 1 1 87.7235 87.8124 51.1690 57 1 1 89.8299 89.2905 50.8051 58 1 1 91.3621 91.1147 51.9824 59 1 1 92.2037 92.8272 51.3517 60 1 1 93.7489 93.9758 50.7982 61 1 1 95.5994 95.8005 50.2101 62 1 1 97.3214 97.3411 50.7090 63 1 1 98.4301 98.5722 51.4016 64 1 1 100.2425 100.2579 50.7783 65 1 1 101.4293 101.9563 51.1459 66 1 1 103.3497 102.7763 51.2446 67 1 1 104.5884 104.9635 50.1718 68 1 1 106.0005 106.0216 50.1803 69 1 1 107.9047 107.8844 50.8780 70 1 1 109.2817 108.6485 51.2396 71 1 1 110.2606 110.4457 51.6880 72 1 1 111.6962 111.8039 50.9666 73 1 1 113.3378 113.7985 51.9750 74 1 1 114.6590 114.7369 51.4045 75 1 1 116.3755 116.9737 51.9446 76 1 1 118.1437 118.3601 50.8038 77 1 1 119.6319 119.9852 51.1190 78 1 1 121.4336 121.2203 50.9681 79 1 1 122.6390 122.8876 50.3975 80 1 1 123.8954 124.4922 50.8047 81 1 1 125.6589 125.9013 51.9908 82 1 1 127.1532 126.6084 50.0722 83 1 1 128.6181 128.5671 51.9239 84 1 1 130.2461 130.1625 51.0466 85 1 1 131.2599 131.9620 51.0804 86 1 1 132.5303 133.1963 51.0394 87 1 1 134.0590 134.8900 50.6604 88 1 1 135.7297 135.6139 50.6218 89 1 1 137.2284 137.6520 50.1323 90 1 1 138.7754 138.7818 51.7601 91 1 1 140.4443 140.7559 51.2066 92 1 1 142.2833 141.6139 51.9571 93 1 1 143.8486 143.0506 50.9324 94 1 1 144.8257 145.1302 50.4606 95 1 1 146.5799 146.6032 51.1998 96 1 1 147.9484 147.5354 51.0276 97 1 1 149.4077 149.1080 50.9198 98 1 1 150.9509 151.0511 51.6108 99 1 1 152.7009 152.8722 50.1044 100 1 1 153.7197 153.9596 51.9171 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 1 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 1 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 1 28 29 29 1 29 30 30 1 30 31 31 1 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 1 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 1 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 1 60 61 61 1 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 1 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 1 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