#LAMMPS Description - Generated by XenoView 126 atoms 133 bonds 232 angles 321 dihedrals 110 impropers 11 atom types 16 bond types 27 angle types 35 dihedral types 19 improper types -16.0068100000 16.0068100000 xlo xhi -16.6347700000 16.6347700000 ylo yhi -15.6834100000 15.6834100000 zlo zhi Masses 1 1.007970 #hc 2 12.011150 #c3h 3 15.999400 #o3e 4 12.011150 #c2 5 15.999400 #oc 6 12.011150 #cp 7 12.011150 #c3 8 12.011150 #c 9 14.006700 #nb 10 1.007970 #hn 11 32.064000 #s1 Pair Coeffs 1 0.0200000000 2.9052000000 2 0.0540000000 3.8897000000 3 0.2400000000 3.5350000000 4 0.0540000000 3.8897000000 5 0.2400000000 3.5350000000 6 0.0640000000 4.0100000000 7 0.0540000000 3.8897000000 8 0.0540000000 3.8897000000 9 0.0650000000 4.0700000000 10 0.0130000000 1.0980000000 11 0.0710000000 4.0270000000 Bond Coeffs 1 1.1010 345.0000 -691.8900 844.6000 2 1.5300 299.6700 -501.7700 679.8100 3 1.4200 400.3954 -835.1951 1313.0142 4 1.5300 299.6700 -501.7700 679.8100 5 1.4200 400.3954 -835.1951 1313.0142 6 1.1010 345.0000 -691.8900 844.6000 7 1.3768 428.8798 -738.2351 1114.9655 8 1.4170 470.8361 -627.6179 1327.6345 9 1.0982 372.8251 -803.4526 894.3173 10 1.5010 321.9021 -521.8208 572.1628 11 1.1010 345.0000 -691.8900 844.6000 12 1.5300 299.6700 -501.7700 679.8100 13 1.3912 447.0438 -784.5346 886.1671 14 1.0012 465.8608 -1066.2360 1496.5647 15 1.7300 228.0000 0.0000 0.0000 16 2.0559 197.6560 -196.1366 644.4103 Angle Coeffs 1 110.7700 41.4530 -10.6040 5.1290 2 108.7280 58.5446 -10.8088 -12.4006 3 107.6600 39.6410 -12.9210 -2.4318 4 111.2700 54.5381 -8.3642 -13.0838 5 112.6700 39.5160 -7.4430 -9.5583 6 111.2700 54.5381 -8.3642 -13.0838 7 110.7700 41.4530 -10.6040 5.1290 8 104.5000 35.7454 -10.0067 -6.2729 9 111.2700 54.5381 -8.3642 -13.0838 10 110.7700 41.4530 -10.6040 5.1290 11 108.7280 58.5446 -10.8088 -12.4006 12 107.6600 39.6410 -12.9210 -2.4318 13 102.9695 38.9739 -6.2595 -8.1710 14 123.4200 73.6781 -21.6787 0.0000 15 118.9000 61.0226 -34.9931 0.0000 16 117.9400 35.1558 -12.4682 0.0000 17 120.0500 44.7148 -22.7352 0.0000 18 107.6600 39.6410 -12.9210 -2.4318 19 110.7700 41.4530 -10.6040 5.1290 20 111.0000 44.3234 -9.4454 0.0000 21 108.4000 43.9594 -8.3924 -9.3379 22 112.6700 39.5160 -7.4430 -9.5583 23 121.4584 61.0647 -21.6172 0.0000 24 111.8725 40.8369 -15.6673 0.0000 25 107.5130 42.5182 -21.7566 -4.3372 26 114.0000 89.0000 0.0000 0.0000 27 103.5000 75.0000 0.0000 0.0000 Dihedral Coeffs 1 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000 2 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000 3 -0.1432 0.0000 0.0617 0.0000 -0.1083 0.0000 4 -0.1820 0.0000 -0.1084 0.0000 -0.7047 0.0000 5 0.7137 0.0000 0.2660 0.0000 -0.2545 0.0000 6 0.5302 0.0000 0.0000 0.0000 -0.3966 0.0000 7 -0.5203 0.0000 -0.3028 0.0000 -0.3450 0.0000 8 -0.5203 0.0000 -0.3028 0.0000 -0.3450 0.0000 9 0.7137 0.0000 0.2660 0.0000 -0.2545 0.0000 10 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000 11 -0.1820 0.0000 -0.1084 0.0000 -0.7047 0.0000 12 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000 13 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000 14 -0.1432 0.0000 0.0617 0.0000 -0.1083 0.0000 15 0.0000 0.0000 0.0000 0.0000 0.1300 0.0000 16 0.9513 0.0000 0.1155 0.0000 0.0720 0.0000 17 0.0000 0.0000 1.5000 0.0000 0.0000 0.0000 18 0.0000 0.0000 4.8498 0.0000 0.0000 0.0000 19 0.0000 0.0000 1.7234 0.0000 0.0000 0.0000 20 8.3667 0.0000 1.1932 0.0000 0.0000 0.0000 21 0.0000 0.0000 3.9661 0.0000 0.0000 0.0000 22 0.0000 0.0000 1.8769 0.0000 0.0000 0.0000 23 0.0000 0.0000 4.4072 0.0000 0.0000 0.0000 24 0.0000 0.0000 1.5590 0.0000 0.0000 0.0000 25 -0.2802 0.0000 -0.0678 0.0000 -0.0122 0.0000 26 -0.2802 0.0000 -0.0678 0.0000 -0.0122 0.0000 27 -0.0228 0.0000 0.0280 0.0000 -0.1863 0.0000 28 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000 29 0.0000 0.0000 3.0000 0.0000 0.0000 0.0000 30 0.0000 0.0000 3.0000 0.0000 0.0000 0.0000 31 0.0000 0.0000 5.3826 0.0000 0.0000 0.0000 32 0.0000 0.0000 1.3331 0.0000 0.0000 0.0000 33 0.0000 0.0000 1.2190 0.0000 0.0000 0.0000 34 0.0000 0.0000 1.5000 0.0000 0.0000 0.0000 35 0.0000 0.0000 5.5000 0.0000 0.0000 0.0000 Improper Coeffs 1 13.0421 0.0000 2 7.6012 0.0000 3 7.8153 0.0000 4 10.7855 0.0000 5 0.0000 0.0000 6 10.0000 0.0000 7 0.0000 0.0000 8 0.0000 0.0000 9 0.0000 0.0000 10 0.0000 0.0000 11 0.0000 0.0000 12 0.0000 0.0000 13 0.0000 0.0000 14 0.0000 0.0000 15 0.0000 0.0000 16 0.0000 0.0000 17 0.0000 0.0000 18 0.0000 0.0000 19 0.0000 0.0000 BondBond Coeffs 1 3.3872 1.1010 1.5300 2 23.1979 1.1010 1.4200 3 5.3316 1.1010 1.1010 4 11.4318 1.5300 1.4200 5 0.0000 1.5300 1.5300 6 11.4318 1.4200 1.5300 7 3.3872 1.5300 1.1010 8 -7.1131 1.4200 1.4200 9 11.4318 1.5300 1.4200 10 3.3872 1.5300 1.1010 11 23.1979 1.4200 1.1010 12 5.3316 1.1010 1.1010 13 0.0000 1.4200 1.3768 14 48.4754 1.3768 1.4170 15 68.2856 1.4170 1.4170 16 1.0795 1.4170 1.0982 17 12.0676 1.4170 1.5010 18 5.3316 1.1010 1.1010 19 3.3872 1.1010 1.5300 20 0.0000 1.5010 1.5010 21 0.0000 1.5010 1.5300 22 0.0000 1.5300 1.5300 23 46.9513 1.4170 1.3912 24 4.5393 1.3912 1.0012 25 -9.9447 1.0012 1.0012 26 0.0000 1.4170 1.7300 27 0.0000 1.7300 2.0559 BondAngle Coeffs 1 11.4210 20.7540 1.1010 1.5300 2 4.6189 55.3270 1.1010 1.4200 3 18.1030 18.1030 1.1010 1.1010 4 2.6868 20.4033 1.5300 1.4200 5 8.0160 8.0160 1.5300 1.5300 6 20.4033 2.6868 1.4200 1.5300 7 20.7540 11.4210 1.5300 1.1010 8 -2.8112 -2.8112 1.4200 1.4200 9 2.6868 20.4033 1.5300 1.4200 10 20.7540 11.4210 1.5300 1.1010 11 55.3270 4.6189 1.4200 1.1010 12 18.1030 18.1030 1.1010 1.1010 13 0.0000 0.0000 1.4200 1.3768 14 107.6806 58.4790 1.3768 1.4170 15 28.8708 28.8708 1.4170 1.4170 16 20.0033 24.2183 1.4170 1.0982 17 31.0771 47.0579 1.4170 1.5010 18 18.1030 18.1030 1.1010 1.1010 19 11.4210 20.7540 1.1010 1.5300 20 0.0000 0.0000 1.5010 1.5010 21 0.0000 0.0000 1.5010 1.5300 22 8.0160 8.0160 1.5300 1.5300 23 39.4040 73.6548 1.4170 1.3912 24 38.5704 16.5524 1.3912 1.0012 25 17.1597 17.1597 1.0012 1.0012 26 0.0000 0.0000 1.4170 1.7300 27 0.0000 0.0000 1.7300 2.0559 AngleAngle Coeffs 1 0.0000 0.0000 0.0000 118.9000 123.4200 123.4200 2 0.0000 0.0000 0.0000 118.9000 117.9400 117.9400 3 0.0000 0.0000 0.0000 120.0500 118.9000 120.0500 4 0.0000 0.0000 0.0000 118.9000 121.4584 121.4584 5 -7.6640 -7.6640 -10.3104 111.8725 111.8725 107.5130 6 0.0000 0.0000 0.0000 118.9000 114.0000 114.0000 7 3.9177 3.9177 0.1689 111.2700 108.7280 110.7700 8 0.2738 0.2738 -0.4825 110.7700 110.7700 107.6600 9 2.4259 2.4259 2.1283 108.7280 108.7280 107.6600 10 -0.8330 -0.8330 -3.5744 111.2700 111.2700 112.6700 11 0.1184 -1.3199 -1.3199 112.6700 110.7700 110.7700 12 3.9177 0.1689 2.5926 111.2700 110.7700 108.7280 13 3.9177 2.5926 0.1689 111.2700 108.7280 110.7700 14 0.2738 -0.4825 0.2738 110.7700 107.6600 110.7700 15 2.4259 2.1283 2.4259 108.7280 107.6600 108.7280 16 0.0000 0.0000 0.0000 111.0000 108.4000 108.4000 17 0.0000 0.0000 0.0000 108.4000 112.6700 108.4000 18 -0.3157 -0.3157 -0.3157 107.6600 107.6600 107.6600 19 -0.4825 0.2738 0.2738 107.6600 110.7700 110.7700 AngleAngleTorsion Coeffs 1 -20.2006 110.7700 111.2700 2 -16.1640 110.7700 112.6700 3 -12.5640 110.7700 110.7700 4 -14.0484 111.2700 111.2700 5 -29.0420 111.2700 112.6700 6 -16.4438 108.7280 104.5000 7 -19.0059 111.2700 104.5000 8 -19.0059 111.2700 104.5000 9 -29.0420 112.6700 111.2700 10 -16.1640 112.6700 110.7700 11 -14.0484 111.2700 111.2700 12 -20.2006 111.2700 110.7700 13 -20.2006 110.7700 111.2700 14 -12.5640 110.7700 110.7700 15 0.0000 111.2700 102.9695 16 0.0000 108.7280 102.9695 17 0.0000 102.9695 123.4200 18 -21.0247 123.4200 118.9000 19 4.2296 123.4200 117.9400 20 0.0000 118.9000 118.9000 21 -4.8141 118.9000 117.9400 22 0.3598 117.9400 117.9400 23 -14.4097 118.9000 120.0500 24 4.4444 117.9400 120.0500 25 0.0000 120.0500 111.0000 26 0.0000 120.0500 108.4000 27 0.0000 110.7700 108.4000 28 -16.1640 110.7700 112.6700 29 0.0000 118.9000 114.0000 30 0.0000 117.9400 114.0000 31 0.0000 118.9000 121.4584 32 0.0000 117.9400 121.4584 33 -7.1755 121.4584 111.8725 34 0.0000 114.0000 103.5000 35 0.0000 103.5000 103.5000 EndBondTorsion Coeffs 1 0.9681 0.9551 0.0436 0.5903 0.6669 0.8584 1.1010 1.4200 2 0.0814 0.0591 0.2219 0.2486 0.2422 -0.0925 1.1010 1.5300 3 0.2130 0.3120 0.0777 0.2130 0.3120 0.0777 1.1010 1.1010 4 1.0165 0.7553 -0.4609 1.0165 0.7553 -0.4609 1.4200 1.4200 5 1.1538 0.8409 -0.9138 -0.3190 0.4411 -0.7174 1.4200 1.5300 6 -0.6054 1.3339 0.9648 -0.1620 0.1564 -1.1408 1.1010 1.4200 7 -0.2456 1.0517 -0.7795 0.4741 1.2635 0.5576 1.5300 1.4200 8 -0.2456 1.0517 -0.7795 0.4741 1.2635 0.5576 1.5300 1.4200 9 -0.3190 0.4411 -0.7174 1.1538 0.8409 -0.9138 1.5300 1.4200 10 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219 1.5300 1.1010 11 1.0165 0.7553 -0.4609 1.0165 0.7553 -0.4609 1.4200 1.4200 12 0.5903 0.6669 0.8584 0.9681 0.9551 0.0436 1.4200 1.1010 13 0.9681 0.9551 0.0436 0.5903 0.6669 0.8584 1.1010 1.4200 14 0.2130 0.3120 0.0777 0.2130 0.3120 0.0777 1.1010 1.1010 15 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5300 1.3768 16 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1010 1.3768 17 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4200 1.4170 18 0.0000 4.8905 0.0000 0.0000 0.2655 0.0000 1.3768 1.4170 19 0.0000 4.2641 0.0000 0.0000 -1.5867 0.0000 1.3768 1.0982 20 -0.1185 6.3204 0.0000 -0.1185 6.3204 0.0000 1.4170 1.4170 21 0.0000 -6.8958 0.0000 0.0000 -0.4669 0.0000 1.4170 1.0982 22 0.0000 -0.6890 0.0000 0.0000 -0.6890 0.0000 1.0982 1.0982 23 0.0000 -0.6918 0.0000 0.0000 0.2421 0.0000 1.4170 1.5010 24 0.0000 -0.4879 0.0000 0.0000 -1.7970 0.0000 1.0982 1.5010 25 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4170 1.5010 26 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4170 1.5300 27 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1010 1.5010 28 0.0814 0.0591 0.2219 0.2486 0.2422 -0.0925 1.1010 1.5300 29 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4170 1.7300 30 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0982 1.7300 31 0.0000 -6.5404 0.0000 0.0000 -7.3477 0.0000 1.4170 1.3912 32 0.0000 -2.6482 0.0000 0.0000 -1.6402 0.0000 1.0982 1.3912 33 0.0000 -3.7281 0.0000 0.0000 0.2849 0.0000 1.4170 1.0012 34 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4170 2.0559 35 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.7300 1.7300 MiddleBondTorsion Coeffs 1 -16.7975 -1.2296 -0.2750 1.5300 2 -14.8790 -3.6581 -0.3138 1.5300 3 -14.2610 -0.5322 -0.4864 1.5300 4 -17.2585 -3.6157 -0.8364 1.5300 5 -21.8842 -7.6764 -0.6868 1.5300 6 -6.8007 -4.6546 -1.4101 1.4200 7 -5.9288 -2.7007 -0.3175 1.4200 8 -5.9288 -2.7007 -0.3175 1.4200 9 -21.8842 -7.6764 -0.6868 1.5300 10 -14.8790 -3.6581 -0.3138 1.5300 11 -17.2585 -3.6157 -0.8364 1.5300 12 -16.7975 -1.2296 -0.2750 1.5300 13 -16.7975 -1.2296 -0.2750 1.5300 14 -14.2610 -0.5322 -0.4864 1.5300 15 0.0000 0.0000 0.0000 1.4200 16 0.0000 0.0000 0.0000 1.4200 17 0.0000 0.0000 0.0000 1.3768 18 0.0000 4.8255 0.0000 1.4170 19 0.0000 5.5432 0.0000 1.4170 20 27.5989 -2.3120 0.0000 1.4170 21 0.0000 -1.1521 0.0000 1.4170 22 0.0000 4.8228 0.0000 1.4170 23 0.0000 9.1792 0.0000 1.4170 24 0.0000 3.9421 0.0000 1.4170 25 0.0000 0.0000 0.0000 1.5010 26 0.0000 0.0000 0.0000 1.5010 27 0.0000 0.0000 0.0000 1.5300 28 -14.8790 -3.6581 -0.3138 1.5300 29 0.0000 0.0000 0.0000 1.4170 30 0.0000 0.0000 0.0000 1.4170 31 0.0000 -0.5693 0.0000 1.4170 32 0.0000 2.2883 0.0000 1.4170 33 0.0000 3.2085 0.0000 1.3912 34 0.0000 0.0000 0.0000 1.7300 35 0.0000 0.0000 0.0000 2.0559 BondBond13 Coeffs 1 0.0000 1.1010 1.4200 2 0.0000 1.1010 1.5300 3 0.0000 1.1010 1.1010 4 0.0000 1.4200 1.4200 5 0.0000 1.4200 1.5300 6 0.0000 1.1010 1.4200 7 0.0000 1.5300 1.4200 8 0.0000 1.5300 1.4200 9 0.0000 1.5300 1.4200 10 0.0000 1.5300 1.1010 11 0.0000 1.4200 1.4200 12 0.0000 1.4200 1.1010 13 0.0000 1.1010 1.4200 14 0.0000 1.1010 1.1010 15 0.0000 1.5300 1.3768 16 0.0000 1.1010 1.3768 17 0.0000 1.4200 1.4170 18 -2.2436 1.3768 1.4170 19 2.0517 1.3768 1.0982 20 53.0000 1.4170 1.4170 21 -6.2741 1.4170 1.0982 22 -1.7077 1.0982 1.0982 23 2.5085 1.4170 1.5010 24 0.8743 1.0982 1.5010 25 0.0000 1.4170 1.5010 26 0.0000 1.4170 1.5300 27 0.0000 1.1010 1.5010 28 0.0000 1.1010 1.5300 29 0.0000 1.4170 1.7300 30 0.0000 1.0982 1.7300 31 -9.7999 1.4170 1.3912 32 -1.0746 1.0982 1.3912 33 4.2366 1.4170 1.0012 34 0.0000 1.4170 2.0559 35 0.0000 1.7300 1.7300 AngleTorsion Coeffs 1 2.3668 2.4920 -1.0122 -0.1892 0.4918 0.7273 110.7700 111.2700 2 0.3113 0.4516 -0.1988 -0.2454 0.0000 -0.1136 110.7700 112.6700 3 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.7700 110.7700 4 0.5511 0.9737 -0.6673 0.5511 0.9737 -0.6673 111.2700 111.2700 5 0.9672 -0.7566 -1.2331 0.5623 -0.3041 -0.4015 111.2700 112.6700 6 -1.8234 1.6393 0.5144 -0.7777 0.4340 -0.6653 108.7280 104.5000 7 -2.7466 1.4877 -0.8955 0.5676 0.9450 0.0703 111.2700 104.5000 8 -2.7466 1.4877 -0.8955 0.5676 0.9450 0.0703 111.2700 104.5000 9 0.5623 -0.3041 -0.4015 0.9672 -0.7566 -1.2331 112.6700 111.2700 10 -0.2454 0.0000 -0.1136 0.3113 0.4516 -0.1988 112.6700 110.7700 11 0.5511 0.9737 -0.6673 0.5511 0.9737 -0.6673 111.2700 111.2700 12 -0.1892 0.4918 0.7273 2.3668 2.4920 -1.0122 111.2700 110.7700 13 2.3668 2.4920 -1.0122 -0.1892 0.4918 0.7273 110.7700 111.2700 14 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.7700 110.7700 15 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 111.2700 102.9695 16 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 108.7280 102.9695 17 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 102.9695 123.4200 18 0.0000 1.7404 0.0000 0.0000 10.0155 0.0000 123.4200 118.9000 19 0.0000 2.5706 0.0000 0.0000 1.8729 0.0000 123.4200 117.9400 20 1.9767 1.0239 0.0000 1.9767 1.0239 0.0000 118.9000 118.9000 21 0.0000 2.5014 0.0000 0.0000 2.7147 0.0000 118.9000 117.9400 22 0.0000 2.4501 0.0000 0.0000 2.4501 0.0000 117.9400 117.9400 23 0.0000 3.8987 0.0000 0.0000 -4.4683 0.0000 118.9000 120.0500 24 0.0000 3.4601 0.0000 0.0000 -0.1242 0.0000 117.9400 120.0500 25 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 120.0500 111.0000 26 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 120.0500 108.4000 27 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 110.7700 108.4000 28 0.3113 0.4516 -0.1988 -0.2454 0.0000 -0.1136 110.7700 112.6700 29 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 118.9000 114.0000 30 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 117.9400 114.0000 31 0.0000 9.0901 0.0000 0.0000 -6.0882 0.0000 118.9000 121.4584 32 0.0000 2.9813 0.0000 0.0000 0.2787 0.0000 117.9400 121.4584 33 0.0000 1.2616 0.0000 0.0000 0.7744 0.0000 121.4584 111.8725 34 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 114.0000 103.5000 35 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 103.5000 103.5000 Atoms 1 1 1 0.053000 1.939803839 6.112122536 -4.522801876 2 1 2 0.027000 0.912769794 6.406007767 -4.280071259 3 1 2 0.080000 0.236599535 5.867340088 -3.074646950 4 1 3 -0.266000 0.759026468 7.227700710 -3.103360176 5 1 4 0.027000 -1.289985776 5.753222466 -2.960249901 6 1 5 -0.160000 -1.711121082 5.467548370 -1.620630622 7 1 6 0.027000 -1.667275071 4.154824257 -1.188451648 8 1 1 0.053000 0.785656571 5.181071281 -2.419494629 9 1 1 0.053000 -1.722416759 5.011564255 -3.653403282 10 1 1 0.053000 -1.736410856 6.717615128 -3.245551825 11 1 6 -0.127000 -2.146294594 3.857919216 0.095268406 12 1 6 -0.127000 -2.110280514 2.563747406 0.592549741 13 1 6 -0.127000 -1.135841250 1.809659958 -1.434301376 14 1 6 -0.127000 -1.159096956 3.094588280 -1.951982856 15 1 6 0.000000 -1.595284224 1.501609206 -0.151359156 16 1 1 0.127000 -0.763712764 3.246021748 -2.966578245 17 1 1 0.127000 -0.729073763 1.000196934 -2.059312820 18 1 1 0.127000 -2.499364376 2.384820700 1.604631305 19 1 1 0.127000 -2.559689522 4.661692142 0.724776149 20 1 1 0.053000 0.336807072 6.715172291 -5.159368515 21 1 1 0.053000 5.055845737 -5.429366112 -3.009847164 22 1 2 0.027000 5.726030350 -4.978538513 -2.270118713 23 1 2 0.080000 5.229468822 -3.987050056 -1.284382582 24 1 3 -0.266000 6.001454353 -3.571243048 -2.448424816 25 1 4 0.027000 3.779753447 -3.519168615 -1.224872470 26 1 5 -0.160000 3.674945593 -2.204936028 -0.663487494 27 1 6 0.027000 2.402279615 -1.708035231 -0.450667202 28 1 1 0.053000 5.751427174 -3.889198542 -0.323895514 29 1 1 0.053000 3.195118427 -4.222495556 -0.608800352 30 1 1 0.053000 3.349291086 -3.513851404 -2.237641573 31 1 6 -0.127000 1.230309010 -2.352717400 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70 8 64 66 71 8 64 71 72 9 64 73 73 8 65 67 74 9 65 69 75 8 66 67 76 9 66 70 77 13 67 68 78 14 68 74 79 14 68 75 80 15 71 76 81 16 76 77 82 1 78 79 83 2 79 80 84 3 79 81 85 1 79 97 86 3 80 81 87 4 80 82 88 1 80 85 89 5 82 83 90 6 82 86 91 6 82 87 92 7 83 84 93 8 84 88 94 8 84 91 95 8 88 89 96 9 88 96 97 8 89 92 98 9 89 95 99 8 90 91 100 8 90 92 101 9 90 94 102 9 91 93 103 10 92 126 104 1 98 99 105 2 99 100 106 3 99 101 107 1 99 117 108 3 100 101 109 4 100 102 110 1 100 105 111 5 102 103 112 6 102 106 113 6 102 107 114 7 103 104 115 8 104 108 116 8 104 111 117 8 108 109 118 9 108 116 119 8 109 112 120 9 109 115 121 8 110 111 122 8 110 112 123 9 110 114 124 9 111 113 125 10 112 126 126 11 118 120 127 11 119 120 128 11 120 121 129 12 120 126 130 11 122 124 131 11 123 124 132 11 124 125 133 12 124 126 Angles 1 1 1 2 3 2 2 1 2 4 3 3 1 2 20 4 4 3 2 4 5 1 3 2 20 6 2 4 2 20 7 4 2 3 4 8 5 2 3 5 9 1 2 3 8 10 6 4 3 5 11 2 4 3 8 12 7 5 3 8 13 8 2 4 3 14 9 3 5 6 15 10 3 5 9 16 10 3 5 10 17 11 6 5 9 18 11 6 5 10 19 12 9 5 10 20 13 5 6 7 21 14 6 7 11 22 14 6 7 14 23 15 11 7 14 24 15 7 11 12 25 16 7 11 19 26 16 12 11 19 27 15 11 12 15 28 16 11 12 18 29 16 15 12 18 30 15 14 13 15 31 16 14 13 17 32 16 15 13 17 33 15 7 14 13 34 16 7 14 16 35 16 13 14 16 36 15 12 15 13 37 17 12 15 49 38 17 13 15 49 39 1 21 22 23 40 2 21 22 24 41 3 21 22 40 42 4 23 22 24 43 1 23 22 40 44 2 24 22 40 45 4 22 23 24 46 5 22 23 25 47 1 22 23 28 48 6 24 23 25 49 2 24 23 28 50 7 25 23 28 51 8 22 24 23 52 9 23 25 26 53 10 23 25 29 54 10 23 25 30 55 11 26 25 29 56 11 26 25 30 57 12 29 25 30 58 13 25 26 27 59 14 26 27 31 60 14 26 27 34 61 15 31 27 34 62 15 27 31 32 63 16 27 31 39 64 16 32 31 39 65 15 31 32 35 66 16 31 32 38 67 16 35 32 38 68 15 34 33 35 69 16 34 33 37 70 16 35 33 37 71 15 27 34 33 72 16 27 34 36 73 16 33 34 36 74 15 32 35 33 75 17 32 35 49 76 17 33 35 49 77 18 41 43 42 78 18 42 43 44 79 19 42 43 49 80 18 41 43 44 81 19 41 43 49 82 19 44 43 49 83 18 45 47 46 84 18 46 47 48 85 19 46 47 49 86 18 45 47 48 87 19 45 47 49 88 19 48 47 49 89 20 15 49 35 90 21 35 49 47 91 21 35 49 43 92 21 15 49 47 93 21 15 49 43 94 22 43 49 47 95 15 52 50 58 96 16 52 50 59 97 16 58 50 59 98 15 53 51 58 99 16 53 51 60 100 16 58 51 60 101 15 50 52 54 102 16 50 52 56 103 16 54 52 56 104 15 51 53 54 105 16 51 53 57 106 16 54 53 57 107 15 52 54 53 108 23 52 54 55 109 23 53 54 55 110 24 54 55 61 111 24 54 55 62 112 25 61 55 62 113 15 50 58 51 114 26 50 58 77 115 26 51 58 77 116 15 65 63 71 117 16 65 63 72 118 16 71 63 72 119 15 66 64 71 120 16 66 64 73 121 16 71 64 73 122 15 63 65 67 123 16 63 65 69 124 16 67 65 69 125 15 64 66 67 126 16 64 66 70 127 16 67 66 70 128 15 65 67 66 129 23 65 67 68 130 23 66 67 68 131 24 67 68 74 132 24 67 68 75 133 25 74 68 75 134 15 63 71 64 135 26 63 71 76 136 26 64 71 76 137 27 71 76 77 138 27 58 77 76 139 1 78 79 80 140 2 78 79 81 141 3 78 79 97 142 4 80 79 81 143 1 80 79 97 144 2 81 79 97 145 4 79 80 81 146 5 79 80 82 147 1 79 80 85 148 6 81 80 82 149 2 81 80 85 150 7 82 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114 209 15 104 111 110 210 16 104 111 113 211 16 110 111 113 212 15 109 112 110 213 17 109 112 126 214 17 110 112 126 215 18 118 120 119 216 18 119 120 121 217 19 119 120 126 218 18 118 120 121 219 19 118 120 126 220 19 121 120 126 221 18 122 124 123 222 18 123 124 125 223 19 123 124 126 224 18 122 124 125 225 19 122 124 126 226 19 125 124 126 227 20 92 126 112 228 21 112 126 124 229 21 112 126 120 230 21 92 126 124 231 21 92 126 120 232 22 120 126 124 Dihedrals 1 1 1 2 3 4 2 2 1 2 3 5 3 3 1 2 3 8 4 5 4 2 3 5 5 1 4 2 3 8 6 1 20 2 3 4 7 2 20 2 3 5 8 3 20 2 3 8 9 6 1 2 4 3 10 6 20 2 4 3 11 8 5 3 4 2 12 6 8 3 4 2 13 9 2 3 5 6 14 10 2 3 5 9 15 10 2 3 5 10 16 11 4 3 5 6 17 12 4 3 5 9 18 12 4 3 5 10 19 13 8 3 5 6 20 14 8 3 5 9 21 14 8 3 5 10 22 15 3 5 6 7 23 16 9 5 6 7 24 16 10 5 6 7 25 17 5 6 7 11 26 17 5 6 7 14 27 18 6 7 11 12 28 19 6 7 11 19 29 20 14 7 11 12 30 21 14 7 11 19 31 18 6 7 14 13 32 19 6 7 14 16 33 20 11 7 14 13 34 21 11 7 14 16 35 20 7 11 12 15 36 21 7 11 12 18 37 21 19 11 12 15 38 22 19 11 12 18 39 20 11 12 15 13 40 23 11 12 15 49 41 21 18 12 15 13 42 24 18 12 15 49 43 20 15 13 14 7 44 21 15 13 14 16 45 21 17 13 14 7 46 22 17 13 14 16 47 20 14 13 15 12 48 23 14 13 15 49 49 21 17 13 15 12 50 24 17 13 15 49 51 25 12 15 49 35 52 26 12 15 49 47 53 26 12 15 49 43 54 25 13 15 49 35 55 26 13 15 49 47 56 26 13 15 49 43 57 1 21 22 23 24 58 2 21 22 23 25 59 3 21 22 23 28 60 5 24 22 23 25 61 1 24 22 23 28 62 1 40 22 23 24 63 2 40 22 23 25 64 3 40 22 23 28 65 6 21 22 24 23 66 6 40 22 24 23 67 8 25 23 24 22 68 6 28 23 24 22 69 9 22 23 25 26 70 10 22 23 25 29 71 10 22 23 25 30 72 11 24 23 25 26 73 12 24 23 25 29 74 12 24 23 25 30 75 13 28 23 25 26 76 14 28 23 25 29 77 14 28 23 25 30 78 15 23 25 26 27 79 16 29 25 26 27 80 16 30 25 26 27 81 17 25 26 27 31 82 17 25 26 27 34 83 18 26 27 31 32 84 19 26 27 31 39 85 20 34 27 31 32 86 21 34 27 31 39 87 18 26 27 34 33 88 19 26 27 34 36 89 20 31 27 34 33 90 21 31 27 34 36 91 20 27 31 32 35 92 21 27 31 32 38 93 21 39 31 32 35 94 22 39 31 32 38 95 20 31 32 35 33 96 23 31 32 35 49 97 21 38 32 35 33 98 24 38 32 35 49 99 20 35 33 34 27 100 21 35 33 34 36 101 21 37 33 34 27 102 22 37 33 34 36 103 20 34 33 35 32 104 23 34 33 35 49 105 21 37 33 35 32 106 24 37 33 35 49 107 25 32 35 49 15 108 26 32 35 49 47 109 26 32 35 49 43 110 25 33 35 49 15 111 26 33 35 49 47 112 26 33 35 49 43 113 27 42 43 49 35 114 27 42 43 49 15 115 28 42 43 49 47 116 27 41 43 49 35 117 27 41 43 49 15 118 28 41 43 49 47 119 27 44 43 49 35 120 27 44 43 49 15 121 28 44 43 49 47 122 27 46 47 49 35 123 27 46 47 49 15 124 28 46 47 49 43 125 27 45 47 49 35 126 27 45 47 49 15 127 28 45 47 49 43 128 27 48 47 49 35 129 27 48 47 49 15 130 28 48 47 49 43 131 20 58 50 52 54 132 21 58 50 52 56 133 21 59 50 52 54 134 22 59 50 52 56 135 20 52 50 58 51 136 29 52 50 58 77 137 21 59 50 58 51 138 30 59 50 58 77 139 20 58 51 53 54 140 21 58 51 53 57 141 21 60 51 53 54 142 22 60 51 53 57 143 20 53 51 58 50 144 29 53 51 58 77 145 21 60 51 58 50 146 30 60 51 58 77 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200 6 78 79 81 80 201 6 97 79 81 80 202 8 82 80 81 79 203 6 85 80 81 79 204 9 79 80 82 83 205 10 79 80 82 86 206 10 79 80 82 87 207 11 81 80 82 83 208 12 81 80 82 86 209 12 81 80 82 87 210 13 85 80 82 83 211 14 85 80 82 86 212 14 85 80 82 87 213 15 80 82 83 84 214 16 86 82 83 84 215 16 87 82 83 84 216 17 82 83 84 88 217 17 82 83 84 91 218 18 83 84 88 89 219 19 83 84 88 96 220 20 91 84 88 89 221 21 91 84 88 96 222 18 83 84 91 90 223 19 83 84 91 93 224 20 88 84 91 90 225 21 88 84 91 93 226 20 84 88 89 92 227 21 84 88 89 95 228 21 96 88 89 92 229 22 96 88 89 95 230 20 88 89 92 90 231 23 88 89 92 126 232 21 95 89 92 90 233 24 95 89 92 126 234 20 92 90 91 84 235 21 92 90 91 93 236 21 94 90 91 84 237 22 94 90 91 93 238 20 91 90 92 89 239 23 91 90 92 126 240 21 94 90 92 89 241 24 94 90 92 126 242 25 89 92 126 112 243 26 89 92 126 124 244 26 89 92 126 120 245 25 90 92 126 112 246 26 90 92 126 124 247 26 90 92 126 120 248 1 98 99 100 101 249 2 98 99 100 102 250 3 98 99 100 105 251 5 101 99 100 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