this is LAMMPS data file containing two nylon monomers 44 atoms 11 atom types 42 bonds 15 bond types 74 angles 29 angle types 100 dihedrals 36 dihedral types 44 impropers 13 improper types 5 extra bond per atom 15 extra angle per atom 15 extra dihedral per atom 25 extra improper per atom 25 extra special per atom -25 25 xlo xhi -25 25 ylo yhi -25 25 zlo zhi Masses 1 12.0112 2 12.0112 3 15.9994 4 1.00797 5 1.00797 6 15.9994 7 14.0067 8 1.00797 9 14.0067 10 1.00797 11 15.9994 Pair Coeffs # lj/class2/coul/cut 1 0.054 4.01 2 0.12 3.81 3 0.24 3.535 4 0.02 2.7 5 0.013 1.098 6 0.267 3.3 7 0.065 4.07 8 0.013 1.098 9 0.106 4.07 10 0.013 1.098 11 0.26 3.61 Bond Coeffs # class2 1 1.101 345 -691.89 844.6 2 1.53 299.67 -501.77 679.81 3 1.3649 368.731 -832.478 1274.02 4 1.5202 253.707 -423.037 396.9 5 1.202 851.14 -1918.49 2160.77 6 0.965 532.506 -1282.9 2004.77 7 1.53 299.67 -501.77 679.81 8 1.101 345 -691.89 844.6 9 1.457 365.805 -699.637 998.484 10 1.006 466.74 -1073.6 1251.11 11 1.452 327.166 -547.899 526.5 12 1.01 462.75 -1053.63 1545.76 13 1.416 359.159 -558.473 1146.38 14 1.457 365.805 -699.637 998.484 15 0.97 563.28 -1428.22 1902.12 Angle Coeffs # class2 1 107.66 39.641 -12.921 -2.4318 2 110.77 41.453 -10.604 5.129 3 112.67 39.516 -7.443 -9.5583 4 123.145 55.5431 -17.2123 0.1348 5 118.986 98.6813 -22.2485 10.3673 6 123.145 55.5431 -17.2123 0.1348 7 111.254 53.5303 -11.8454 -11.5405 8 108.53 51.9747 -9.4851 -10.9985 9 107.734 40.6099 -28.8121 0 10 110.77 41.453 -10.604 5.129 11 112.67 39.516 -7.443 -9.5583 12 107.66 39.641 -12.921 -2.4318 13 111.91 60.7147 -13.3366 -13.0785 14 110.62 51.3137 -6.7198 -2.6003 15 110.954 50.8652 -4.4522 -10.0298 16 107.067 45.252 -7.5558 -9.512 17 113.868 45.9271 -20.0824 0 18 111.037 31.8958 -6.6942 -6.837 19 116.94 37.5749 -8.6676 0 20 117.961 37.4964 -8.1837 0 21 114.302 42.6589 -10.5464 -9.3243 22 108.937 57.401 2.9374 0 23 107.734 40.6099 -28.8121 0 24 116.926 39.4193 -10.9945 -8.7733 25 118.986 98.6813 -22.2485 10.3673 26 125.542 92.572 -34.48 -11.1871 27 0 0 0 0 28 111.91 60.7147 -13.3366 -13.0785 29 103.7 49.84 -11.6 -8 BondBond Coeffs 1 5.3316 1.101 1.101 2 3.3872 1.53 1.101 3 0 1.53 1.53 4 0 1.5202 1.3649 5 0 1.3649 1.202 6 46.0685 1.5202 1.202 7 0 1.3649 0.965 8 5.4199 1.53 1.5202 9 0.7115 1.5202 1.101 10 3.3872 1.53 1.101 11 0 1.53 1.53 12 5.3316 1.101 1.101 13 4.6217 1.53 1.457 14 12.426 1.457 1.101 15 -6.4168 1.457 1.006 16 -1.8749 1.006 1.006 17 -3.471 1.452 1.01 18 12.1186 1.452 1.416 19 -0.5655 1.01 1.01 20 -4.3126 1.01 1.416 21 3.5446 1.452 1.53 22 15.2994 1.452 1.101 23 0.7115 1.101 1.5202 24 0 1.416 1.5202 25 0 1.202 1.3649 26 138.495 1.416 1.202 27 0 1.416 1.3649 28 4.6217 1.457 1.53 29 -9.5 0.97 0.97 BondAngle Coeffs 1 18.103 18.103 1.101 1.101 2 20.754 11.421 1.53 1.101 3 8.016 8.016 1.53 1.53 4 0 0 1.5202 1.3649 5 0 0 1.3649 1.202 6 34.9982 37.1298 1.5202 1.202 7 0 0 1.3649 0.965 8 18.1678 15.8758 1.53 1.5202 9 12.4632 9.1765 1.5202 1.101 10 20.754 11.421 1.53 1.101 11 8.016 8.016 1.53 1.53 12 18.103 18.103 1.101 1.101 13 6.0876 16.5702 1.53 1.457 14 42.4332 13.4582 1.457 1.101 15 31.8096 20.5799 1.457 1.006 16 28.0322 28.0322 1.006 1.006 17 11.8828 5.9339 1.452 1.01 18 3.7812 14.8633 1.452 1.416 19 19.8125 19.8125 1.01 1.01 20 10.8422 29.5743 1.01 1.416 21 4.6031 -5.479 1.452 1.53 22 34.8907 10.6917 1.452 1.101 23 9.1765 12.4632 1.101 1.5202 24 0 0 1.416 1.5202 25 0 0 1.202 1.3649 26 62.7124 52.4045 1.416 1.202 27 0 0 1.416 1.3649 28 16.5702 6.0876 1.457 1.53 29 22.35 22.35 0.97 0.97 Dihedral Coeffs # class2 1 -0.0228 0 0.028 0 -0.1863 0 2 -0.1432 0 0.0617 0 -0.1083 0 3 0.0972 0 0.0722 0 -0.2581 0 4 0 0 0.0316 0 -0.1681 0 5 0 0 0.0514 0 -0.143 0 6 0 0 0 0 0 0 7 -2.7332 0 2.9646 0 -0.0155 0 8 0 0 0 0 0 0 9 0 0 0 0 0 0 10 0.0442 0 0.0292 0 0.0562 0 11 -0.1804 0 0.0012 0 0.0371 0 12 -0.2428 0 0.4065 0 -0.3079 0 13 -0.1432 0 0.0617 0 -0.1083 0 14 0.1764 0 0.1766 0 -0.5206 0 15 0 0 0.0316 0 -0.1681 0 16 0 0 0.0514 0 -0.143 0 17 -1.1506 0 -0.6344 0 -0.1845 0 18 -0.5187 0 -0.4837 0 -0.1692 0 19 -0.0483 0 -0.0077 0 -0.0014 0 20 -0.0148 0 -0.0791 0 -0.0148 0 21 0.0143 0 -0.0132 0 0.0091 0 22 0.0219 0 -0.026 0 0.0714 0 23 -0.7532 0 2.7392 0 0.0907 0 24 0.8297 0 3.7234 0 -0.0495 0 25 0 0 0 0 0 0 26 0 0 0 0 0 0 27 -1.6938 0 2.7386 0 -0.336 0 28 0 0 0 0 0 0 29 0.0972 0 0.0722 0 -0.2581 0 30 -0.0228 0 0.028 0 -0.1863 0 31 0.1693 0 -0.009 0 -0.0687 0 32 0.1693 0 -0.009 0 -0.0687 0 33 0 0 0 0 0 0 34 -1.1506 0 -0.6344 0 -0.1845 0 35 -0.5187 0 -0.4837 0 -0.1692 0 36 0.1764 0 0.1766 0 -0.5206 0 AngleAngleTorsion Coeffs 1 -5.3624 108.53 110.77 2 -12.564 110.77 110.77 3 -0.3801 112.67 108.53 4 -16.164 112.67 110.77 5 -22.045 112.67 112.67 6 0 0 111.254 7 0 118.985 111.254 8 0 108.53 0 9 0 107.734 0 10 -8.019 108.53 123.145 11 -15.3496 107.734 123.145 12 -15.7572 111.91 110.77 13 -12.564 110.77 110.77 14 -27.3953 112.67 111.91 15 -16.164 112.67 110.77 16 -22.045 112.67 112.67 17 -7.5499 111.91 110.954 18 -10.4258 110.62 110.954 19 -4.6337 113.868 114.302 20 -6.659 113.868 108.937 21 -7.4314 111.037 114.302 22 -8.1335 111.037 108.937 23 -6.5335 111.037 116.926 24 -15.5547 111.037 125.542 25 0 111.037 0 26 -1.3234 117.961 116.926 27 -7.3186 117.961 125.542 28 0 117.961 0 29 -1.0631 114.302 112.67 30 -12.7974 114.302 110.77 31 -5.4514 108.53 116.926 32 -12.2417 107.734 116.926 33 0 0 111.254 34 -7.5499 110.954 111.91 35 -10.4258 110.954 110.62 36 -27.3953 111.91 112.67 EndBondTorsion Coeffs 1 -0.0204 0.3628 -0.4426 -0.0097 -0.0315 -0.0755 1.5202 1.101 2 0.213 0.312 0.0777 0.213 0.312 0.0777 1.101 1.101 3 0.0062 -0.0002 0.0036 0.0055 0.006 -0.0009 1.53 1.5202 4 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219 1.53 1.101 5 -0.0732 0 0 -0.0732 0 0 1.53 1.53 6 0 0 0 0 0 0 1.5202 0.965 7 0 0 0 0 0 0 1.202 0.965 8 0 0 0 0 0 0 1.53 1.3649 9 0 0 0 0 0 0 1.101 1.3649 10 0.2654 0.0503 0.1046 -0.281 0.0816 -0.1522 1.53 1.202 11 1.2143 0.2831 0.3916 -0.2298 0.0354 0.3853 1.101 1.202 12 0.1022 0.209 0.6433 0.196 0.7056 0.112 1.457 1.101 13 0.213 0.312 0.0777 0.213 0.312 0.0777 1.101 1.101 14 0.1032 0.5896 -0.4836 0.0579 -0.0043 -0.1906 1.53 1.457 15 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219 1.53 1.101 16 -0.0732 0 0 -0.0732 0 0 1.53 1.53 17 -0.9466 0.9356 -0.5542 0.057 0.0625 0.4112 1.53 1.006 18 -1.1685 0.9266 -0.0993 0.085 0.3061 0.2104 1.101 1.006 19 -0.0992 -0.0727 -0.4139 0.132 0.0015 0.1324 1.01 1.53 20 -0.4894 0.1644 0.3105 -0.8983 0.2826 0.0881 1.01 1.101 21 -0.1245 -0.9369 0.7781 -0.2033 0.0035 0.056 1.416 1.53 22 0.2292 1.1732 -0.058 -0.3667 0.8197 0.1335 1.416 1.101 23 0.2299 -0.1141 -0.1424 0.0933 -0.4631 0.2883 1.452 1.5202 24 0.1598 0.7253 -0.1007 0.1226 -2.1326 0.5581 1.452 1.202 25 0 0 0 0 0 0 1.452 1.3649 26 0.6413 0.1676 0.144 -0.6979 0.5619 0.4212 1.01 1.5202 27 0.1214 0.1936 0.0816 -0.7604 -2.6431 1.2467 1.01 1.202 28 0 0 0 0 0 0 1.01 1.3649 29 -0.0797 -0.0406 0.0255 0.0742 0.0105 0.0518 1.452 1.53 30 0.3022 0.2513 0.4641 -0.0601 -0.3763 -0.1876 1.452 1.101 31 -0.2631 -0.0076 -0.1145 -0.2751 -0.3058 -0.1767 1.53 1.416 32 -0.0268 0.7836 0.0035 0.3552 -0.2685 0.5834 1.101 1.416 33 0 0 0 0 0 0 1.416 0.965 34 0.057 0.0625 0.4112 -0.9466 0.9356 -0.5542 1.006 1.53 35 0.085 0.3061 0.2104 -1.1685 0.9266 -0.0993 1.006 1.101 36 0.0579 -0.0043 -0.1906 0.1032 0.5896 -0.4836 1.457 1.53 MiddleBondTorsion Coeffs 1 -3.5039 1.2458 -0.761 1.53 2 -14.261 -0.5322 -0.4864 1.53 3 -1.5945 0.2267 -0.6911 1.53 4 -14.879 -3.6581 -0.3138 1.53 5 -17.787 -7.1877 0 1.53 6 0 0 0 1.3649 7 0 0 0 1.3649 8 0 0 0 1.5202 9 0 0 0 1.5202 10 0.3388 -0.1096 0.1219 1.5202 11 0.2359 0.9139 0.9594 1.5202 12 -10.4959 -0.7647 -0.0545 1.53 13 -14.261 -0.5322 -0.4864 1.53 14 -15.4174 -7.3055 -1.0749 1.53 15 -14.879 -3.6581 -0.3138 1.53 16 -17.787 -7.1877 0 1.53 17 -2.2208 0.5479 -0.3527 1.457 18 -3.4611 1.6996 -0.6007 1.457 19 -3.5406 -3.3866 0.0352 1.452 20 -1.1752 2.8058 0.8083 1.452 21 -3.9501 -0.4002 -0.6798 1.452 22 -0.6899 -2.2646 1.1579 1.452 23 0 0 0 1.416 24 -8.8301 14.3079 -1.7716 1.416 25 0 0 0 1.416 26 0 0 0 1.416 27 -0.9084 6.1447 -0.4852 1.416 28 0 0 0 1.416 29 -4.2324 -3.3023 -1.3244 1.53 30 -4.1028 -0.5941 -0.047 1.53 31 0 0 0 1.5202 32 0 0 0 1.5202 33 0 0 0 1.3649 34 -2.2208 0.5479 -0.3527 1.457 35 -3.4611 1.6996 -0.6007 1.457 36 -15.4174 -7.3055 -1.0749 1.53 BondBond13 Coeffs 1 0 1.5202 1.101 2 0 1.101 1.101 3 0 1.53 1.5202 4 0 1.53 1.101 5 0 1.53 1.53 6 0 1.5202 0.965 7 0 1.202 0.965 8 0 1.53 1.3649 9 0 1.101 1.3649 10 0 1.53 1.202 11 0 1.101 1.202 12 0 1.457 1.101 13 0 1.101 1.101 14 0 1.53 1.457 15 0 1.53 1.101 16 0 1.53 1.53 17 0 1.53 1.006 18 0 1.101 1.006 19 0 1.01 1.53 20 0 1.01 1.101 21 0 1.416 1.53 22 0 1.416 1.101 23 0 1.452 1.5202 24 0 1.452 1.202 25 0 1.452 1.3649 26 0 1.01 1.5202 27 0 1.01 1.202 28 0 1.01 1.3649 29 0 1.452 1.53 30 0 1.452 1.101 31 0 1.53 1.416 32 0 1.101 1.416 33 0 1.416 0.965 34 0 1.006 1.53 35 0 1.006 1.101 36 0 1.457 1.53 AngleTorsion Coeffs 1 -0.7466 -0.9448 -0.6321 0.0162 1.4211 -1.4092 108.53 110.77 2 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.77 110.77 3 -0.2607 0.3203 -0.2283 0.0515 -0.0674 -0.0474 112.67 108.53 4 -0.2454 0 -0.1136 0.3113 0.4516 -0.1988 112.67 110.77 5 0.3886 -0.3139 0.1389 0.3886 -0.3139 0.1389 112.67 112.67 6 0 0 0 0 0 0 0 111.254 7 0 0 0 0 0 0 118.985 111.254 8 0 0 0 0 0 0 108.53 0 9 0 0 0 0 0 0 107.734 0 10 0.0885 -1.3703 -0.5452 0.675 0.5965 0.6725 108.53 123.145 11 9.1299 -0.4847 0.3582 -1.4946 0.7308 -0.2083 107.734 123.145 12 -1.1075 0.282 0.8318 0.5111 1.6328 -1.0155 111.91 110.77 13 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.77 110.77 14 -1.9225 -1.345 0.221 2.0125 0.944 -2.7612 112.67 111.91 15 -0.2454 0 -0.1136 0.3113 0.4516 -0.1988 112.67 110.77 16 0.3886 -0.3139 0.1389 0.3886 -0.3139 0.1389 112.67 112.67 17 -3.343 4.4558 -0.0346 0.2873 -0.8072 -0.096 111.91 110.954 18 -3.9582 2.0063 0.3213 -0.4294 -0.4442 -0.6141 110.62 110.954 19 -0.5807 0.2041 -0.1384 -2.8967 2.7084 -0.0375 113.868 114.302 20 -0.3868 0.2041 0.0445 -3.7022 1.3876 0.2393 113.868 108.937 21 -1.523 1.1296 0.7167 -0.7555 0.0564 1.2177 111.037 114.302 22 0.0372 -0.3418 -0.0775 -1.5157 2.0781 0.5364 111.037 108.937 23 5.916 1.7856 0.4052 4.2133 2.9302 3.2903 111.037 116.926 24 7.4427 2.1505 -0.2206 4.4466 4.0317 1.7129 111.037 125.542 25 0 0 0 0 0 0 111.037 0 26 1.9306 0.2105 0.0557 -2.2134 1.2909 0.9726 117.961 116.926 27 2.3848 0.703 0.1399 -2.6238 0.3606 0.5474 117.961 125.542 28 0 0 0 0 0 0 117.961 0 29 0.2039 0.1602 -0.7946 -0.5501 -1.6982 0.2485 114.302 112.67 30 -1.982 0.2325 -0.3928 -1.2469 1.6933 -1.2081 114.302 110.77 31 2.1802 -0.0335 -1.3816 2.1221 0.5032 -0.0767 108.53 116.926 32 7.095 0.0075 0.691 2.0013 0.5068 0.8406 107.734 116.926 33 0 0 0 0 0 0 0 111.254 34 0.2873 -0.8072 -0.096 -3.343 4.4558 -0.0346 110.954 111.91 35 -0.4294 -0.4442 -0.6141 -3.9582 2.0063 0.3213 110.954 110.62 36 2.0125 0.944 -2.7612 -1.9225 -1.345 0.221 111.91 112.67 Improper Coeffs # class2 1 0 0 2 0 0 3 0 0 4 0 0 5 0 0 6 0 0 7 0 0 8 0 0 9 0 0 10 0 0 11 0 0 12 0 0 13 24.3329 0 AngleAngle Coeffs 1 0 0 0 0 118.985 123.145 2 0.2738 -0.4825 0.2738 110.77 107.66 110.77 3 -1.3199 -1.3199 0.1184 112.67 110.77 110.77 4 2.0403 -1.8202 1.0827 108.53 107.734 110.77 5 -3.3867 -3.4976 -3.3867 107.734 107.66 107.734 6 0 0 0 110.954 107.067 110.954 7 0.2738 -0.4825 0.2738 110.77 107.66 110.77 8 -1.3199 -1.3199 0.1184 112.67 110.77 110.77 9 -2.5301 0.5381 2.4286 111.91 110.62 110.77 10 2.4321 -3.5496 2.4321 110.62 107.66 110.62 11 0 0 0 123.145 118.985 0 12 0 0 0 113.868 117.961 111.037 13 0 0 0 116.926 123.145 125.542 Atoms # full 1 1 1 0.0000000000000000e+00 12.288168 0.738732 4.374280 0 0 0 2 1 2 2.9999999999999999e-01 13.959928 -0.883144 5.090597 0 0 0 3 1 3 0.0000000000000000e+00 14.411288 -1.994419 5.682160 0 0 0 4 1 4 0.0000000000000000e+00 12.881083 0.872503 3.506176 0 0 0 5 1 4 0.0000000000000000e+00 11.232775 0.801641 3.998777 0 0 0 6 1 5 0.0000000000000000e+00 13.704366 -2.470396 6.130105 0 0 0 7 1 1 0.0000000000000000e+00 12.489752 -0.793693 4.710639 0 0 0 8 1 1 0.0000000000000000e+00 12.455071 1.866388 5.385870 0 0 0 9 1 1 0.0000000000000000e+00 11.248961 1.901849 6.347664 0 0 0 10 1 2 2.9999999999999999e-01 10.005971 2.466710 5.772840 -1 1 0 11 1 6 0.0000000000000000e+00 14.795360 -0.034436 4.807367 0 0 0 12 1 6 0.0000000000000000e+00 9.115239 1.654547 5.617002 -1 0 0 13 1 3 0.0000000000000000e+00 9.745096 3.807654 5.573585 -1 1 0 14 1 4 0.0000000000000000e+00 12.248215 -1.371492 3.808598 0 0 0 15 1 4 0.0000000000000000e+00 11.715755 -1.036825 5.500449 0 0 0 16 1 4 0.0000000000000000e+00 12.559724 2.807687 4.858452 0 1 0 17 1 4 0.0000000000000000e+00 13.299968 1.616570 6.123781 0 0 0 18 1 4 0.0000000000000000e+00 11.650505 2.330454 7.282410 0 1 0 19 1 4 0.0000000000000000e+00 10.888420 0.913219 6.637162 -1 0 0 20 1 5 0.0000000000000000e+00 10.550073 4.294209 5.758192 -1 1 0 21 2 1 0.0000000000000000e+00 5.851425 1.929552 6.038335 0 0 0 22 2 1 0.0000000000000000e+00 6.741509 3.160751 6.233074 0 0 0 23 2 7 -2.9999999999999999e-01 7.957761 3.121780 5.252257 1 0 0 24 2 7 -2.9999999999999999e-01 2.599653 -2.258940 5.985863 0 -1 0 25 2 1 0.0000000000000000e+00 3.834337 -1.907078 5.441528 0 -1 0 26 2 1 0.0000000000000000e+00 4.810793 -1.083699 6.310184 0 -1 0 27 2 4 0.0000000000000000e+00 6.505912 1.182799 5.449104 0 0 0 28 2 4 0.0000000000000000e+00 5.156429 2.256468 5.348423 0 0 0 29 2 4 0.0000000000000000e+00 7.232782 3.178785 7.181911 0 0 0 30 2 4 0.0000000000000000e+00 6.251671 4.103621 6.222913 0 0 0 31 2 8 0.0000000000000000e+00 8.249909 4.070668 4.881297 1 0 0 32 2 8 0.0000000000000000e+00 7.813025 2.623184 4.400744 1 0 0 33 2 8 0.0000000000000000e+00 2.626695 -2.857547 6.817247 0 -1 0 34 2 8 0.0000000000000000e+00 1.955281 -2.684319 5.328460 0 -1 0 35 2 4 0.0000000000000000e+00 3.637708 -1.322842 4.469265 0 -1 0 36 2 4 0.0000000000000000e+00 4.415570 -2.739689 4.997336 0 -1 0 37 2 4 0.0000000000000000e+00 5.710714 -1.010014 5.642798 0 -1 0 38 2 4 0.0000000000000000e+00 5.103831 -1.696423 7.160345 0 -1 0 39 2 1 0.0000000000000000e+00 5.270763 1.286629 7.308822 0 0 0 40 2 4 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8 42 43 42 8 42 44 Angles 1 1 5 1 4 2 2 7 1 5 3 2 8 1 5 4 2 7 1 4 5 2 8 1 4 6 3 7 1 8 7 4 7 2 3 8 5 3 2 11 9 6 7 2 11 10 7 2 3 6 11 8 1 7 2 12 2 1 7 14 13 2 1 7 15 14 9 2 7 14 15 9 2 7 15 16 1 14 7 15 17 3 1 8 9 18 2 1 8 16 19 2 1 8 17 20 2 9 8 16 21 2 9 8 17 22 1 16 8 17 23 8 8 9 10 24 2 8 9 18 25 2 8 9 19 26 9 10 9 18 27 9 10 9 19 28 1 18 9 19 29 6 9 10 12 30 4 9 10 13 31 5 13 10 12 32 7 10 13 20 33 10 22 21 27 34 10 22 21 28 35 11 22 21 39 36 12 27 21 28 37 10 39 21 27 38 10 39 21 28 39 13 21 22 23 40 10 21 22 29 41 10 21 22 30 42 14 23 22 29 43 14 23 22 30 44 12 29 22 30 45 15 22 23 31 46 15 22 23 32 47 16 31 23 32 48 15 25 24 33 49 15 25 24 34 50 16 33 24 34 51 13 26 25 24 52 14 24 25 35 53 14 24 25 36 54 10 26 25 35 55 10 26 25 36 56 12 35 25 36 57 10 25 26 37 58 10 25 26 38 59 11 25 26 42 60 12 37 26 38 61 10 42 26 37 62 10 42 26 38 63 10 21 39 40 64 10 21 39 41 65 11 21 39 42 66 12 40 39 41 67 10 42 39 40 68 10 42 39 41 69 11 26 42 39 70 10 26 42 43 71 10 26 42 44 72 10 39 42 43 73 10 39 42 44 74 12 43 42 44 Dihedrals 1 2 5 1 7 14 2 2 5 1 7 15 3 2 4 1 7 14 4 2 4 1 7 15 5 3 8 1 7 2 6 4 8 1 7 14 7 4 8 1 7 15 8 2 5 1 8 16 9 2 5 1 8 17 10 2 4 1 8 16 11 2 4 1 8 17 12 5 7 1 8 9 13 4 7 1 8 16 14 4 7 1 8 17 15 6 7 2 3 6 16 7 11 2 3 6 17 1 2 7 1 5 18 1 2 7 1 4 19 8 1 7 2 3 20 9 14 7 2 3 21 9 15 7 2 3 22 10 1 7 2 11 23 11 14 7 2 11 24 11 15 7 2 11 25 4 9 8 1 5 26 4 9 8 1 4 27 3 1 8 9 10 28 4 1 8 9 18 29 4 1 8 9 19 30 2 16 8 9 18 31 2 16 8 9 19 32 2 17 8 9 18 33 2 17 8 9 19 34 1 10 9 8 16 35 1 10 9 8 17 36 10 8 9 10 12 37 8 8 9 10 13 38 11 18 9 10 12 39 9 18 9 10 13 40 11 19 9 10 12 41 9 19 9 10 13 42 6 9 10 13 20 43 7 12 10 13 20 44 13 27 21 22 29 45 13 27 21 22 30 46 13 28 21 22 29 47 13 28 21 22 30 48 14 39 21 22 23 49 15 39 21 22 29 50 15 39 21 22 30 51 15 22 21 39 40 52 15 22 21 39 41 53 16 22 21 39 42 54 13 27 21 39 40 55 13 27 21 39 41 56 13 28 21 39 40 57 13 28 21 39 41 58 12 23 22 21 27 59 12 23 22 21 28 60 17 21 22 23 31 61 17 21 22 23 32 62 18 29 22 23 31 63 18 29 22 23 32 64 18 30 22 23 31 65 18 30 22 23 32 66 17 26 25 24 33 67 18 35 25 24 33 68 18 36 25 24 33 69 17 26 25 24 34 70 18 35 25 24 34 71 18 36 25 24 34 72 12 24 25 26 37 73 12 24 25 26 38 74 13 35 25 26 37 75 13 35 25 26 38 76 13 36 25 26 37 77 13 36 25 26 38 78 14 42 26 25 24 79 15 42 26 25 35 80 15 42 26 25 36 81 16 25 26 42 39 82 15 25 26 42 43 83 15 25 26 42 44 84 13 37 26 42 43 85 13 37 26 42 44 86 13 38 26 42 43 87 13 38 26 42 44 88 15 42 39 21 27 89 15 42 39 21 28 90 16 21 39 42 26 91 15 21 39 42 43 92 15 21 39 42 44 93 13 40 39 42 43 94 13 40 39 42 44 95 13 41 39 42 43 96 13 41 39 42 44 97 15 39 42 26 37 98 15 39 42 26 38 99 15 26 42 39 40 100 15 26 42 39 41 Impropers 1 2 7 1 4 5 2 2 8 1 4 5 3 3 7 1 8 5 4 3 7 1 8 4 5 1 7 2 3 11 6 4 1 7 2 14 7 4 1 7 2 15 8 2 1 7 14 15 9 5 2 7 14 15 10 3 1 8 9 16 11 3 1 8 9 17 12 2 1 8 16 17 13 2 9 8 16 17 14 4 8 9 10 18 15 4 8 9 10 19 16 2 8 9 18 19 17 5 10 9 18 19 18 1 9 10 13 12 19 7 22 21 27 28 20 8 22 21 39 27 21 8 22 21 39 28 22 7 39 21 28 27 23 9 21 22 23 29 24 9 21 22 23 30 25 7 21 22 29 30 26 10 23 22 29 30 27 6 22 23 31 32 28 6 25 24 33 34 29 9 26 25 24 35 30 9 26 25 24 36 31 10 24 25 35 36 32 7 26 25 35 36 33 7 25 26 37 38 34 8 25 26 42 37 35 8 25 26 42 38 36 7 42 26 38 37 37 7 21 39 40 41 38 8 21 39 42 40 39 8 21 39 42 41 40 7 42 39 41 40 41 8 26 42 39 43 42 8 26 42 39 44 43 7 26 42 43 44 44 7 39 42 43 44