# Model for PEO 172 atoms 19 bonds 18 angles 17 dihedrals 3 atom types 1 bond types 1 angle types 1 dihedral types 0.0000 3.0000 xlo xhi 0.0000 30.0000 ylo yhi 0.0000 10.0000 zlo zhi Atoms 1 2 1.67045 28.46062 8.58229 2 2 2.98347 28.85127 8.75676 3 2 0.92229 29.04731 9.59302 4 2 1.22817 29.01884 7.38302 5 2 1.49057 26.58465 8.76440 6 2 1.33629 24.97229 7.96805 7 2 0.99925 23.47498 8.93608 8 2 2.24321 22.08051 8.98484 9 2 2.98656 22.08227 7.82177 10 2 1.79789 20.74877 9.27935 11 2 3.11168 22.40972 10.00461 12 2 0.50634 26.45934 9.92139 13 2 0.31393 26.87132 7.82302 14 2 0.55355 23.93490 10.33060 15 2 -0.33650 22.97420 8.36596 16 3 3.49157 24.99923 6.97725 17 1 1.67253 19.46688 9.91174 18 1 1.45950 18.11571 9.14809 19 1 0.89344 19.54958 10.69193 20 1 2.65923 19.33522 10.39394 21 1 1.58565 16.98751 10.05623 22 1 2.23065 18.05424 8.34693 23 1 0.43909 18.13118 8.70020 24 1 1.56705 15.74308 9.34256 25 1 1.70582 14.41416 10.19530 26 1 2.45086 15.75417 8.67382 27 1 0.58591 15.67482 8.83335 28 1 1.53751 13.20839 9.41270 29 1 0.92592 14.43822 10.98111 30 1 2.72164 14.41753 10.64468 31 1 1.66999 12.00997 10.21317 32 1 1.42879 10.67256 9.42217 33 1 0.92298 12.02203 11.03083 34 1 2.70356 11.94717 10.61292 35 1 1.51782 9.48428 10.24810 36 1 2.20945 10.63856 8.62724 37 1 0.41754 10.71854 8.95498 38 1 1.36137 8.31510 9.43120 39 1 1.59503 6.90968 10.13491 40 1 0.33396 8.29811 8.99343 41 1 2.14503 8.42136 8.66343 42 1 1.14698 5.77987 9.35683 43 1 1.00685 6.87246 11.06753 44 1 2.68065 6.83805 10.36792 45 1 2.01148 4.64201 9.47137 46 1 1.28044 3.31128 9.17145 47 1 2.42395 4.52538 10.49267 48 1 2.84590 4.73604 8.74170 49 1 0.63558 3.35894 7.92595 50 1 0.49758 3.11316 9.93245 51 1 1.96364 2.42298 9.24210 52 1 1.56018 3.28138 6.86850 53 1 1.39087 4.48631 5.91204 54 1 1.27440 2.35359 6.29868 55 1 2.62504 3.06275 7.13694 56 1 2.04138 5.77795 6.05737 57 1 0.33125 4.56651 5.58787 58 1 1.98782 4.02732 5.11284 59 1 1.30872 6.87881 6.64226 60 1 1.41166 8.39119 5.96960 61 1 1.89979 6.89257 7.51768 62 1 0.26362 6.60100 6.89953 63 1 1.08431 9.63522 6.70941 64 1 2.45922 8.47575 5.61157 65 1 0.68735 8.38473 5.15961 66 1 1.14935 10.87069 5.87556 67 1 1.01367 12.39829 6.54074 68 1 0.34459 10.78069 5.11553 69 1 2.14792 10.86496 5.40338 70 1 0.98685 13.62122 5.66733 71 1 1.90267 12.48319 7.19050 72 1 0.08408 12.39599 7.14355 73 1 0.88664 14.93600 6.36576 74 1 0.99980 16.43114 5.60264 75 1 -0.08423 14.94078 6.89476 76 1 1.75671 14.92341 7.00513 77 1 0.76673 17.73867 6.31312 78 1 0.26490 16.43390 4.77249 79 1 2.02800 16.46175 5.18200 80 1 1.46580 18.89716 5.68661 81 1 0.98743 20.46216 5.36971 82 1 1.42408 18.58876 4.64104 83 1 2.53421 18.90339 5.98775 84 1 1.20526 21.79102 5.99886 85 1 1.76421 20.52969 4.60731 86 1 -0.01082 20.47849 4.88593 87 1 1.68880 22.78121 4.99351 88 1 1.33303 24.34699 4.91966 89 1 1.29077 22.44675 4.04433 90 1 2.79870 22.73666 4.95867 91 1 2.03280 24.97529 3.82510 92 1 1.71390 24.88929 5.77712 93 1 0.23276 24.49959 4.86094 94 1 1.32385 26.01250 3.12758 95 1 1.55664 25.92404 1.58090 96 1 1.71479 27.00847 3.45980 97 1 0.22918 26.02734 3.31199 98 1 1.05071 24.73696 0.94336 99 1 2.62941 26.08907 1.32590 100 1 1.03805 26.80285 1.11981 101 1 1.71163 23.56808 1.42144 102 1 1.30554 22.23873 0.71024 103 1 2.81459 23.71173 1.40282 104 1 1.31068 23.42988 2.38898 105 1 2.13440 21.06673 0.96318 106 1 1.44247 22.46902 -0.36671 107 1 0.21989 22.03920 0.84063 108 1 1.92248 20.24174 2.13897 109 1 1.94790 18.65307 1.80673 110 1 0.97023 20.52404 2.63936 111 1 2.79300 20.47377 2.78927 112 1 2.10480 17.57548 2.81768 113 1 0.97358 18.52435 1.31273 114 1 2.80745 18.57774 1.12453 115 1 2.08682 16.22215 2.21827 116 1 2.08189 14.82376 3.08994 117 1 1.13756 16.17858 1.68595 118 1 2.97455 16.14517 1.56801 119 1 2.12586 13.53332 2.35804 120 1 2.94156 14.85532 3.79529 121 1 1.12688 14.82940 3.62939 122 1 2.03948 12.33523 3.22720 123 1 1.99209 10.84093 2.54024 124 1 1.07399 12.39812 3.74939 125 1 2.89876 12.36392 3.93223 126 1 1.97195 9.60370 3.34895 127 1 2.86730 10.77506 1.86806 128 1 1.03331 10.85067 2.00697 129 1 1.84752 8.37250 2.53233 130 1 1.65999 6.93394 3.28642 131 1 2.75117 8.31106 1.90403 132 1 0.93248 8.48984 1.96561 133 1 1.51287 5.50581 3.54823 134 1 0.65120 7.16224 3.64031 135 1 2.57774 7.05185 3.88087 136 1 1.27991 4.51102 2.57967 137 1 1.28060 2.97828 2.94749 138 1 2.20109 4.51326 2.03913 139 1 0.25953 4.66431 2.17430 140 1 0.74736 2.19134 1.88597 141 1 0.58013 2.79688 3.79612 142 1 2.26319 2.57876 3.30297 143 1 1.62991 1.89665 0.76553 144 1 1.80144 3.11627 -0.22845 145 1 1.07533 1.11555 0.19463 146 1 2.53264 1.33634 1.09210 147 1 2.13477 4.31783 -0.99163 148 1 0.70761 3.24447 -0.21631 149 1 2.64695 3.29106 0.47729 150 1 1.94020 5.46579 -0.13475 151 1 1.44827 6.83507 -0.60408 152 1 2.84590 5.61827 0.49067 153 1 1.00736 5.23735 0.37763 154 1 2.41938 7.80442 -0.95761 155 1 0.95331 7.23236 0.31455 156 1 0.63211 6.75568 -1.34252 157 2 1.71245 8.94399 -0.86588 158 2 0.73492 9.94421 -0.70873 159 2 -0.06218 9.51458 0.34674 160 2 -0.09302 9.84694 -1.82310 161 2 1.41864 11.71574 -0.42483 162 2 0.68291 13.12822 -1.17979 163 2 1.39413 14.65257 -0.66695 164 2 1.31378 16.53264 -1.00341 165 2 0.27054 17.14889 -0.32601 166 2 2.50450 17.05058 -0.54904 167 2 1.25613 16.98617 -2.32099 168 2 0.11530 14.79930 0.17420 169 2 0.68814 14.81653 -2.01006 170 2 -0.08815 11.76830 -0.12534 171 2 1.55995 11.49856 -1.93380 172 3 2.54900 13.46303 -2.83036 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 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 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