LAMMPS data file. msi2lmp v3.9.9 / 05 Nov 2018 / CGCMM for 2-1 125 atoms 127 bonds 218 angles 292 dihedrals 108 impropers 11 atom types 16 bond types 28 angle types 33 dihedral types 21 improper types 4 extra/bond/per/atom # 17 extra bond type 0.069057474 13.069057474 xlo xhi 0.805148504 13.805148504 ylo yhi -0.022726752 12.977273248 zlo zhi Masses 1 12.011150 # cp 2 15.999400 # oc 3 12.011150 # c2 4 12.011150 # c1 5 12.011150 # c3 6 15.999400 # oh 7 1.007970 # hc 8 1.007970 # ho 9 14.006700 # nb 10 1.007970 # hn 11 12.011150 # c3 Pair Coeffs # lj/class2/coul/long 1 0.0640000000 4.0100000000 # cp 2 0.2400000000 3.5350000000 # oc 3 0.0540000000 4.0100000000 # c2 4 0.0540000000 4.0100000000 # c1 5 0.0540000000 4.0100000000 # c3 6 0.2400000000 3.5350000000 # oh 7 0.0200000000 2.9950000000 # hc 8 0.0130000000 1.0980000000 # ho 9 0.0650000000 4.0700000000 # nb 10 0.0130000000 1.0980000000 # hn 11 0.0540000000 4.0100000000 # c3 Bond Coeffs # class2 1 1.4170 470.8361 -627.6179 1327.6345 # cp-cp 2 1.0982 372.8251 -803.4526 894.3173 # cp-hc 3 1.3768 428.8798 -738.2351 1114.9655 # cp-oc 4 1.5010 321.9021 -521.8208 572.1628 # cp-c2 5 1.4200 400.3954 -835.1951 1313.0142 # oc-c2 6 1.5300 299.6700 -501.7700 679.8100 # c2-c1 7 1.1010 345.0000 -691.8900 844.6000 # c2-hc 8 1.5300 299.6700 -501.7700 679.8100 # c1-c3 9 1.4200 400.3954 -835.1951 1313.0142 # c1-oh 10 1.1010 345.0000 -691.8900 844.6000 # c1-hc 11 1.1010 345.0000 -691.8900 844.6000 # c3-hc 12 0.9650 532.5062 -1282.9050 2004.7658 # oh-ho 13 1.3912 447.0438 -784.5346 886.1671 # cp-nb 14 1.5010 321.9021 -521.8208 572.1628 # cp-c3 15 1.5300 299.6700 -501.7700 679.8100 # c2-c3 16 1.0012 465.8608 -1066.2360 1496.5647 # nb-hn # 17 0.0000 0.0000 0.0000 0.0000 # c2-nb Angle Coeffs # class2 1 118.9000 61.0226 -34.9931 0.0000 # cp-cp-cp 2 117.9400 35.1558 -12.4682 0.0000 # cp-cp-hc 3 123.4200 73.6781 -21.6787 0.0000 # cp-cp-oc 4 120.0500 44.7148 -22.7352 0.0000 # cp-cp-c2 5 102.9695 38.9739 -6.2595 -8.1710 # cp-oc-c2 6 111.2700 54.5381 -8.3642 -13.0838 # oc-c2-c1 7 108.7280 58.5446 -10.8088 -12.4006 # oc-c2-hc 8 110.7700 41.4530 -10.6040 5.1290 # c1-c2-hc 9 107.6600 39.6410 -12.9210 -2.4318 # hc-c2-hc 10 112.6700 39.5160 -7.4430 -9.5583 # c2-c1-c3 11 111.2700 54.5381 -8.3642 -13.0838 # c2-c1-oh 12 110.7700 41.4530 -10.6040 5.1290 # c2-c1-hc 13 111.2700 54.5381 -8.3642 -13.0838 # c3-c1-oh 14 110.7700 41.4530 -10.6040 5.1290 # c3-c1-hc 15 108.7280 58.5446 -10.8088 -12.4006 # oh-c1-hc 16 110.7700 41.4530 -10.6040 5.1290 # c1-c3-hc 17 107.6600 39.6410 -12.9210 -2.4318 # hc-c3-hc 18 105.8000 52.7061 -12.1090 -9.8681 # c1-oh-ho 19 111.0000 44.3234 -9.4454 0.0000 # cp-c2-cp 20 111.0000 44.3234 -9.4454 0.0000 # cp-c2-hc 21 121.4584 61.0647 -21.6172 0.0000 # cp-cp-nb 22 120.0500 44.7148 -22.7352 0.0000 # cp-cp-c3 23 108.4000 43.9594 -8.3924 -9.3379 # cp-c2-c3 24 110.7700 41.4530 -10.6040 5.1290 # c3-c2-hc 25 110.7700 41.4530 -10.6040 5.1290 # c2-c3-hc 26 111.0000 44.3234 -9.4454 0.0000 # cp-c3-hc 27 111.8725 40.8369 -15.6673 0.0000 # cp-nb-hn 28 107.5130 42.5182 -21.7566 -4.3372 # hn-nb-hn Dihedral Coeffs # class2 1 8.3667 0.0000 1.1932 0.0000 0.0000 0.0000# cp-cp-cp-cp 2 0.0000 0.0000 4.8498 0.0000 0.0000 0.0000# cp-cp-cp-oc 3 0.0000 0.0000 3.9661 0.0000 0.0000 0.0000# cp-cp-cp-hc 4 0.0000 0.0000 1.7234 0.0000 0.0000 0.0000# oc-cp-cp-hc 5 0.0000 0.0000 1.8769 0.0000 0.0000 0.0000# hc-cp-cp-hc 6 0.0000 0.0000 1.5000 0.0000 0.0000 0.0000# cp-cp-oc-c2 7 0.0000 0.0000 4.4072 0.0000 0.0000 0.0000# cp-cp-cp-c2 8 0.0000 0.0000 1.5590 0.0000 0.0000 0.0000# c2-cp-cp-hc 9 -0.2802 0.0000 -0.0678 0.0000 -0.0122 0.0000# cp-cp-c2-cp 10 -0.2801 0.0000 -0.0678 0.0000 -0.0122 0.0000# cp-cp-c2-hc 11 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000# cp-oc-c2-c1 12 0.9513 0.0000 0.1155 0.0000 0.0720 0.0000# cp-oc-c2-hc 13 0.7137 0.0000 0.2660 0.0000 -0.2545 0.0000# oc-c2-c1-c3 14 -0.1820 0.0000 -0.1084 0.0000 -0.7047 0.0000# oc-c2-c1-oh 15 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000# oc-c2-c1-hc 16 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# hc-c2-c1-c3 17 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000# hc-c2-c1-oh 18 -0.1432 0.0000 0.0617 0.0000 -0.1083 0.0000# hc-c2-c1-hc 19 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# c2-c1-c3-hc 20 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000# oh-c1-c3-hc 21 -0.1432 0.0000 0.0617 0.0000 -0.1083 0.0000# hc-c1-c3-hc 22 -0.6732 0.0000 -0.4778 0.0000 -0.1670 0.0000# c2-c1-oh-ho 23 -0.6732 0.0000 -0.4778 0.0000 -0.1670 0.0000# c3-c1-oh-ho 24 0.1863 0.0000 -0.4338 0.0000 -0.2121 0.0000# hc-c1-oh-ho 25 0.0000 0.0000 5.3826 0.0000 0.0000 0.0000# cp-cp-cp-nb 26 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000# c2-cp-cp-nb 27 -0.2802 0.0000 -0.0678 0.0000 -0.0122 0.0000# cp-cp-c2-c3 28 0.0000 0.0000 4.4072 0.0000 0.0000 0.0000# cp-cp-cp-c3 29 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000# c3-cp-cp-nb 30 0.0000 0.0000 1.2190 0.0000 0.0000 0.0000# cp-cp-nb-hn 31 -0.2801 0.0000 -0.0678 0.0000 -0.0122 0.0000# cp-cp-c3-hc 32 -0.0228 0.0000 0.0280 0.0000 -0.1863 0.0000# cp-c2-c3-hc 33 -0.1432 0.0000 0.0617 0.0000 -0.1083 0.0000# hc-c2-c3-hc Improper Coeffs # class2 1 4.8912 0.0000 # cp-cp-cp-hc 2 13.0421 0.0000 # cp-cp-cp-oc 3 7.8153 0.0000 # cp-cp-cp-c2 4 10.7855 0.0000 # cp-cp-cp-nb 5 7.8153 0.0000 # cp-cp-cp-c3 6 0.0000 0.0000 # cp-nb-hn-hn 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 20 0.0000 0.0000 21 0.0000 0.0000 BondBond Coeffs 1 68.2856 1.4170 1.4170 2 1.0795 1.4170 1.0982 3 48.4754 1.4170 1.3768 4 12.0676 1.4170 1.5010 5 0.0000 1.3768 1.4200 6 11.4318 1.4200 1.5300 7 23.1979 1.4200 1.1010 8 3.3872 1.5300 1.1010 9 5.3316 1.1010 1.1010 10 0.0000 1.5300 1.5300 11 11.4318 1.5300 1.4200 12 3.3872 1.5300 1.1010 13 11.4318 1.5300 1.4200 14 3.3872 1.5300 1.1010 15 23.1979 1.4200 1.1010 16 3.3872 1.5300 1.1010 17 5.3316 1.1010 1.1010 18 -9.6879 1.4200 0.9650 19 0.0000 1.5010 1.5010 20 2.9168 1.5010 1.1010 21 46.9513 1.4170 1.3912 22 12.0676 1.4170 1.5010 23 0.0000 1.5010 1.5300 24 3.3872 1.5300 1.1010 25 3.3872 1.5300 1.1010 26 2.9168 1.5010 1.1010 27 4.5393 1.3912 1.0012 28 -9.9447 1.0012 1.0012 BondAngle Coeffs 1 28.8708 28.8708 1.4170 1.4170 2 20.0033 24.2183 1.4170 1.0982 3 58.4790 107.6806 1.4170 1.3768 4 31.0771 47.0579 1.4170 1.5010 5 0.0000 0.0000 1.3768 1.4200 6 20.4033 2.6868 1.4200 1.5300 7 55.3270 4.6189 1.4200 1.1010 8 20.7540 11.4210 1.5300 1.1010 9 18.1030 18.1030 1.1010 1.1010 10 8.0160 8.0160 1.5300 1.5300 11 2.6868 20.4033 1.5300 1.4200 12 20.7540 11.4210 1.5300 1.1010 13 2.6868 20.4033 1.5300 1.4200 14 20.7540 11.4210 1.5300 1.1010 15 55.3270 4.6189 1.4200 1.1010 16 20.7540 11.4210 1.5300 1.1010 17 18.1030 18.1030 1.1010 1.1010 18 28.5800 18.9277 1.4200 0.9650 19 0.0000 0.0000 1.5010 1.5010 20 26.4608 11.7717 1.5010 1.1010 21 39.4040 73.6548 1.4170 1.3912 22 31.0771 47.0579 1.4170 1.5010 23 0.0000 0.0000 1.5010 1.5300 24 20.7540 11.4210 1.5300 1.1010 25 20.7540 11.4210 1.5300 1.1010 26 26.4608 11.7717 1.5010 1.1010 27 38.5704 16.5524 1.3912 1.0012 28 17.1597 17.1597 1.0012 1.0012 AngleAngle Coeffs 1 0.0000 0.0000 0.0000 118.9000 117.9400 117.9400 2 0.0000 0.0000 0.0000 118.9000 123.4200 123.4200 3 0.0000 0.0000 0.0000 118.9000 120.0500 120.0500 4 0.0000 0.0000 0.0000 118.9000 121.4584 121.4584 5 0.0000 0.0000 0.0000 118.9000 120.0500 120.0500 6 0.0000 0.0000 0.0000 111.8725 107.5130 111.8725 7 2.5926 0.1689 3.9177 111.2700 110.7700 108.7280 8 2.4259 2.1283 2.4259 108.7280 107.6600 108.7280 9 0.2738 -0.4825 0.2738 110.7700 107.6600 110.7700 10 -0.8330 -0.8330 -3.5744 112.6700 111.2700 111.2700 11 -1.3199 -1.3199 0.1184 112.6700 110.7700 110.7700 12 0.1689 2.5926 3.9177 111.2700 108.7280 110.7700 13 0.1689 2.5926 3.9177 111.2700 108.7280 110.7700 14 0.2738 -0.4825 0.2738 110.7700 107.6600 110.7700 15 -0.3157 -0.3157 -0.3157 107.6600 107.6600 107.6600 16 0.0000 0.0000 0.0000 111.0000 111.0000 111.0000 17 2.3794 3.0118 2.3794 111.0000 107.6600 111.0000 18 -1.8202 2.0403 1.0827 108.4000 110.7700 111.0000 19 0.2738 -0.4825 0.2738 110.7700 107.6600 110.7700 20 0.2738 -0.4825 0.2738 110.7700 107.6600 110.7700 21 2.3794 3.0118 2.3794 111.0000 107.6600 111.0000 AngleAngleTorsion Coeffs 1 0.0000 118.9000 118.9000 2 -21.0247 118.9000 123.4200 3 -4.8141 118.9000 117.9400 4 4.2296 123.4200 117.9400 5 0.3598 117.9400 117.9400 6 0.0000 123.4200 102.9695 7 -14.4097 118.9000 120.0500 8 4.4444 120.0500 117.9400 9 0.0000 120.0500 111.0000 10 -5.8888 120.0500 111.0000 11 0.0000 102.9695 111.2700 12 0.0000 102.9695 108.7280 13 -29.0420 111.2700 112.6700 14 -14.0484 111.2700 111.2700 15 -20.2006 111.2700 110.7700 16 -16.1640 110.7700 112.6700 17 -20.2006 110.7700 111.2700 18 -12.5640 110.7700 110.7700 19 -16.1640 112.6700 110.7700 20 -20.2006 111.2700 110.7700 21 -12.5640 110.7700 110.7700 22 -12.1038 111.2700 105.8000 23 -12.1038 111.2700 105.8000 24 -10.5093 108.7280 105.8000 25 0.0000 118.9000 121.4584 26 0.0000 120.0500 121.4584 27 0.0000 120.0500 108.4000 28 -14.4097 118.9000 120.0500 29 0.0000 120.0500 121.4584 30 -7.1755 121.4584 111.8725 31 -5.8888 120.0500 111.0000 32 0.0000 108.4000 110.7700 33 -12.5640 110.7700 110.7700 EndBondTorsion Coeffs 1 -0.1185 6.3204 0.0000 -0.1185 6.3204 0.0000 1.4170 1.4170 2 0.0000 0.2655 0.0000 0.0000 4.8905 0.0000 1.4170 1.3768 3 0.0000 -6.8958 0.0000 0.0000 -0.4669 0.0000 1.4170 1.0982 4 0.0000 4.2641 0.0000 0.0000 -1.5867 0.0000 1.3768 1.0982 5 0.0000 -0.6890 0.0000 0.0000 -0.6890 0.0000 1.0982 1.0982 6 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4170 1.4200 7 0.0000 -0.6918 0.0000 0.0000 0.2421 0.0000 1.4170 1.5010 8 0.0000 -1.7970 0.0000 0.0000 -0.4879 0.0000 1.5010 1.0982 9 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4170 1.5010 10 -0.5835 1.1220 0.3978 1.3997 0.7756 0.0000 1.4170 1.1010 11 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.3768 1.5300 12 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.3768 1.1010 13 1.1538 0.8409 -0.9138 -0.3190 0.4411 -0.7174 1.4200 1.5300 14 1.0165 0.7553 -0.4609 1.0165 0.7553 -0.4609 1.4200 1.4200 15 0.5903 0.6669 0.8584 0.9681 0.9551 0.0436 1.4200 1.1010 16 0.0814 0.0591 0.2219 0.2486 0.2422 -0.0925 1.1010 1.5300 17 0.9681 0.9551 0.0436 0.5903 0.6669 0.8584 1.1010 1.4200 18 0.2130 0.3120 0.0777 0.2130 0.3120 0.0777 1.1010 1.1010 19 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219 1.5300 1.1010 20 0.5903 0.6669 0.8584 0.9681 0.9551 0.0436 1.4200 1.1010 21 0.2130 0.3120 0.0777 0.2130 0.3120 0.0777 1.1010 1.1010 22 -0.5800 0.9004 0.0000 0.0000 0.5343 0.9025 1.5300 0.9650 23 -0.5800 0.9004 0.0000 0.0000 0.5343 0.9025 1.5300 0.9650 24 -1.7554 1.3145 0.2263 0.2493 0.6803 0.0000 1.1010 0.9650 25 0.0000 -6.5404 0.0000 0.0000 -7.3477 0.0000 1.4170 1.3912 26 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5010 1.3912 27 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4170 1.5300 28 0.0000 -0.6918 0.0000 0.0000 0.2421 0.0000 1.4170 1.5010 29 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5010 1.3912 30 0.0000 -3.7281 0.0000 0.0000 0.2849 0.0000 1.4170 1.0012 31 -0.5835 1.1220 0.3978 1.3997 0.7756 0.0000 1.4170 1.1010 32 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5010 1.1010 33 0.2130 0.3120 0.0777 0.2130 0.3120 0.0777 1.1010 1.1010 MiddleBondTorsion Coeffs 1 27.5989 -2.3120 0.0000 1.4170 2 0.0000 4.8255 0.0000 1.4170 3 0.0000 -1.1521 0.0000 1.4170 4 0.0000 5.5432 0.0000 1.4170 5 0.0000 4.8228 0.0000 1.4170 6 0.0000 0.0000 0.0000 1.3768 7 0.0000 9.1792 0.0000 1.4170 8 0.0000 3.9421 0.0000 1.4170 9 0.0000 0.0000 0.0000 1.5010 10 -5.5679 1.4083 0.3010 1.5010 11 0.0000 0.0000 0.0000 1.4200 12 0.0000 0.0000 0.0000 1.4200 13 -21.8842 -7.6764 -0.6868 1.5300 14 -17.2585 -3.6157 -0.8364 1.5300 15 -16.7975 -1.2296 -0.2750 1.5300 16 -14.8790 -3.6581 -0.3138 1.5300 17 -16.7975 -1.2296 -0.2750 1.5300 18 -14.2610 -0.5322 -0.4864 1.5300 19 -14.8790 -3.6581 -0.3138 1.5300 20 -16.7975 -1.2296 -0.2750 1.5300 21 -14.2610 -0.5322 -0.4864 1.5300 22 1.2472 0.0000 0.7485 1.4200 23 1.2472 0.0000 0.7485 1.4200 24 0.0000 0.9241 -0.5889 1.4200 25 0.0000 -0.5693 0.0000 1.4170 26 0.0000 0.0000 0.0000 1.4170 27 0.0000 0.0000 0.0000 1.5010 28 0.0000 9.1792 0.0000 1.4170 29 0.0000 0.0000 0.0000 1.4170 30 0.0000 3.2085 0.0000 1.3912 31 -5.5679 1.4083 0.3010 1.5010 32 0.0000 0.0000 0.0000 1.5300 33 -14.2610 -0.5322 -0.4864 1.5300 BondBond13 Coeffs 1 53.0000 1.4170 1.4170 2 -2.2436 1.4170 1.3768 3 -6.2741 1.4170 1.0982 4 2.0517 1.3768 1.0982 5 -1.7077 1.0982 1.0982 6 0.0000 1.4170 1.4200 7 2.5085 1.4170 1.5010 8 0.8743 1.5010 1.0982 9 0.0000 1.4170 1.5010 10 -3.4826 1.4170 1.1010 11 0.0000 1.3768 1.5300 12 0.0000 1.3768 1.1010 13 0.0000 1.4200 1.5300 14 0.0000 1.4200 1.4200 15 0.0000 1.4200 1.1010 16 0.0000 1.1010 1.5300 17 0.0000 1.1010 1.4200 18 0.0000 1.1010 1.1010 19 0.0000 1.5300 1.1010 20 0.0000 1.4200 1.1010 21 0.0000 1.1010 1.1010 22 0.0000 1.5300 0.9650 23 0.0000 1.5300 0.9650 24 0.0000 1.1010 0.9650 25 -9.7999 1.4170 1.3912 26 0.0000 1.5010 1.3912 27 0.0000 1.4170 1.5300 28 2.5085 1.4170 1.5010 29 0.0000 1.5010 1.3912 30 4.2366 1.4170 1.0012 31 -3.4826 1.4170 1.1010 32 0.0000 1.5010 1.1010 33 0.0000 1.1010 1.1010 AngleTorsion Coeffs 1 1.9767 1.0239 0.0000 1.9767 1.0239 0.0000 118.9000 118.9000 2 0.0000 10.0155 0.0000 0.0000 1.7404 0.0000 118.9000 123.4200 3 0.0000 2.5014 0.0000 0.0000 2.7147 0.0000 118.9000 117.9400 4 0.0000 2.5706 0.0000 0.0000 1.8729 0.0000 123.4200 117.9400 5 0.0000 2.4501 0.0000 0.0000 2.4501 0.0000 117.9400 117.9400 6 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 123.4200 102.9695 7 0.0000 3.8987 0.0000 0.0000 -4.4683 0.0000 118.9000 120.0500 8 0.0000 -0.1242 0.0000 0.0000 3.4601 0.0000 120.0500 117.9400 9 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 120.0500 111.0000 10 0.2251 0.6548 0.1237 4.6266 0.1632 0.0461 120.0500 111.0000 11 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 102.9695 111.2700 12 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 102.9695 108.7280 13 0.9672 -0.7566 -1.2331 0.5623 -0.3041 -0.4015 111.2700 112.6700 14 0.5511 0.9737 -0.6673 0.5511 0.9737 -0.6673 111.2700 111.2700 15 -0.1892 0.4918 0.7273 2.3668 2.4920 -1.0122 111.2700 110.7700 16 0.3113 0.4516 -0.1988 -0.2454 0.0000 -0.1136 110.7700 112.6700 17 2.3668 2.4920 -1.0122 -0.1892 0.4918 0.7273 110.7700 111.2700 18 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.7700 110.7700 19 -0.2454 0.0000 -0.1136 0.3113 0.4516 -0.1988 112.6700 110.7700 20 -0.1892 0.4918 0.7273 2.3668 2.4920 -1.0122 111.2700 110.7700 21 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.7700 110.7700 22 -3.5903 2.5225 0.4888 0.8726 -0.3577 0.3888 111.2700 105.8000 23 -3.5903 2.5225 0.4888 0.8726 -0.3577 0.3888 111.2700 105.8000 24 -3.4060 1.6396 0.0737 0.0000 -0.2810 -0.5944 108.7280 105.8000 25 0.0000 9.0901 0.0000 0.0000 -6.0882 0.0000 118.9000 121.4584 26 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 120.0500 121.4584 27 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 120.0500 108.4000 28 0.0000 3.8987 0.0000 0.0000 -4.4683 0.0000 118.9000 120.0500 29 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 120.0500 121.4584 30 0.0000 1.2616 0.0000 0.0000 0.7744 0.0000 121.4584 111.8725 31 0.2251 0.6548 0.1237 4.6266 0.1632 0.0461 120.0500 111.0000 32 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 108.4000 110.7700 33 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.7700 110.7700 Atoms # full 1 1 1 -0.126800 5.221768930 11.285975819 2.042936852 0 0 0 # cp 2 1 1 0.026500 6.540732545 11.090765973 2.478799973 0 0 0 # cp 3 1 1 -0.126800 6.843720417 9.883882890 3.125567715 0 0 0 # cp 4 1 1 -0.126800 5.860960064 8.934353960 3.359070577 0 0 0 # cp 5 1 1 0.000000 4.545332175 9.124852290 2.942929876 0 0 0 # cp 6 1 1 -0.126800 4.256680313 10.314378631 2.278229429 0 0 0 # cp 7 1 2 -0.159500 7.564494365 11.996923178 2.278081515 0 0 0 # oc 8 1 3 0.027000 7.284850727 13.398612052 2.167562304 0 0 0 # c2 9 1 4 0.080000 7.564580153 0.955034577 0.764898722 0 1 0 # c1 10 1 11 -0.159000 7.572068181 2.480984107 0.725951005 0 1 0 # c3 11 1 6 -0.557100 6.603037660 13.528073630 12.797191201 0 0 -1 # oh 12 1 3 -0.106000 3.469913862 8.097509964 3.239849268 0 0 0 # c2 13 1 1 -0.126800 4.388171382 4.548273719 2.166398207 0 0 0 # cp 14 1 1 -0.126800 4.271254381 5.711880035 2.911511696 0 0 0 # cp 15 1 1 0.000000 3.615637730 6.835636283 2.413968608 0 0 0 # cp 16 1 1 -0.126800 3.082833189 6.744246244 1.130814170 0 0 0 # cp 17 1 1 -0.126800 3.195296586 5.592272965 0.363066455 0 0 0 # cp 18 1 1 0.026500 3.851920131 4.461539054 0.872370345 0 0 0 # cp 19 1 2 -0.159500 4.000466343 3.272449199 0.180192315 0 0 0 # oc 20 1 3 0.027000 3.390542687 3.149293736 11.891785961 0 0 -1 # c2 21 1 4 0.080000 3.641710620 1.789841134 11.219869269 0 0 -1 # c1 22 1 11 -0.159000 2.747183651 1.595111344 9.996536818 0 0 -1 # c3 23 1 6 -0.557100 4.989733563 1.619316312 10.776612131 0 0 -1 # oh 24 1 7 0.126800 4.922218556 12.198297908 1.506205768 0 0 0 # hc 25 1 7 0.126800 7.873119878 9.682920394 3.463555525 0 0 0 # hc 26 1 7 0.126800 6.126266357 8.001334966 3.878798267 0 0 0 # hc 27 1 7 0.126800 3.227144631 10.489999988 1.930842356 0 0 0 # hc 28 1 7 0.053000 7.933822539 0.912848183 2.896887275 0 1 0 # hc 29 1 7 0.053000 6.250237996 13.633304287 2.465876969 0 0 0 # hc 30 1 7 0.053000 8.568669920 13.602612485 0.457532009 0 0 0 # hc 31 1 7 0.053000 8.303708676 2.916440437 1.424825811 0 1 0 # hc 32 1 7 0.053000 6.577494124 2.877648147 0.982537983 0 1 0 # hc 33 1 7 0.053000 7.822893190 2.837041669 12.712300325 0 1 -1 # hc 34 1 8 0.424100 6.755151974 12.578376086 12.657687405 0 0 -1 # ho 35 1 7 0.053000 2.471534509 8.531844056 3.075306624 0 0 0 # hc 36 1 7 0.053000 3.490292086 7.848483736 4.314153882 0 0 0 # hc 37 1 7 0.126800 4.907077363 3.682178595 2.607105541 0 0 0 # hc 38 1 7 0.126800 4.702682859 5.746464675 3.924064930 0 0 0 # hc 39 1 7 0.126800 2.556612166 7.617314846 0.715845863 0 0 0 # hc 40 1 7 0.126800 2.754649301 5.599443005 12.356517625 0 0 -1 # hc 41 1 7 0.053000 3.773542590 3.940268329 11.227428896 0 0 -1 # hc 42 1 7 0.053000 2.303888662 3.301536125 12.002496868 0 0 -1 # hc 43 1 7 0.053000 3.402925932 0.993070949 11.950538952 0 0 -1 # hc 44 1 7 0.053000 2.909877162 2.401111374 9.262944241 0 0 -1 # hc 45 1 7 0.053000 1.678534282 1.587649606 10.267110135 0 0 -1 # hc 46 1 7 0.053000 2.978148395 13.637750515 9.501915943 0 -1 -1 # hc 47 1 8 0.424100 5.532869213 1.493821365 11.577911467 0 0 -1 # ho 48 2 1 -0.126800 5.698079850 10.411619051 9.023276909 0 0 0 # cp 49 2 1 0.026500 6.223333183 10.618339428 10.308029697 0 0 0 # cp 50 2 1 -0.126800 5.735618251 9.815704272 11.350603147 0 0 0 # cp 51 2 1 -0.126800 4.778436446 8.842576638 11.110562006 0 0 0 # cp 52 2 1 0.000000 4.272375321 8.615150957 9.834495676 0 0 0 # cp 53 2 1 -0.126800 4.745421250 9.426395244 8.806447238 0 0 0 # cp 54 2 2 -0.159500 7.197796826 11.552727564 10.604366757 0 0 0 # oc 55 2 3 0.027000 7.675646111 12.397312510 9.550802359 0 0 0 # c2 56 2 4 0.080000 8.853510737 13.279748867 9.983140434 0 0 0 # c1 57 2 11 -0.159000 9.220783492 1.295867757 8.903131642 0 1 0 # c3 58 2 6 -0.557100 10.036111832 12.520132073 10.258143789 0 0 0 # oh 59 2 3 -0.106000 3.240848120 7.537926749 9.573236671 0 0 0 # c2 60 2 1 -0.126800 3.667968681 4.587268798 7.173761499 0 0 0 # cp 61 2 1 -0.126800 3.181992223 5.729146664 7.796629063 0 0 0 # cp 62 2 1 0.000000 3.823736790 6.312729995 8.887630228 0 0 0 # cp 63 2 1 -0.126800 4.991092595 5.697842814 9.336944975 0 0 0 # cp 64 2 1 -0.126800 5.496414171 4.558923786 8.729338373 0 0 0 # cp 65 2 1 0.026500 4.836003260 3.967554634 7.643442347 0 0 0 # cp 66 2 2 -0.159500 5.372395849 2.815185701 7.098451499 0 0 0 # oc 67 2 3 0.027000 4.511982592 1.986700452 6.305791615 0 0 0 # c2 68 2 4 0.080000 5.057547213 13.564551302 6.097162173 0 -1 0 # c1 69 2 11 -0.159000 4.007002147 12.642875729 5.476832795 0 -1 0 # c3 70 2 6 -0.557100 6.222441766 13.619369098 5.268816621 0 -1 0 # oh 71 2 7 0.126800 6.021749062 11.008897797 8.159430614 0 0 0 # hc 72 2 7 0.126800 6.113194267 9.944220531 12.377561141 0 0 0 # hc 73 2 7 0.126800 4.423703295 8.222089423 11.946789459 0 0 0 # hc 74 2 7 0.126800 4.356887153 9.267735527 7.789122477 0 0 0 # hc 75 2 7 0.053000 6.843588120 13.033585426 9.204517448 0 0 0 # hc 76 2 7 0.053000 8.004862828 11.778976371 8.699256440 0 0 0 # hc 77 2 7 0.053000 8.558551715 0.835843507 10.892361455 0 1 0 # hc 78 2 7 0.053000 8.378818701 1.965140274 8.661128215 0 1 0 # hc 79 2 7 0.053000 9.528745613 13.782442295 7.977811897 0 0 0 # hc 80 2 7 0.053000 10.065305227 1.923584059 9.233034765 0 1 0 # hc 81 2 8 0.424100 9.805060232 11.873206162 10.942483551 0 0 0 # ho 82 2 7 0.053000 2.426644858 7.963326808 8.965123964 0 0 0 # hc 83 2 7 0.053000 2.763999836 7.232482398 10.518934941 0 0 0 # hc 84 2 7 0.126800 3.112019566 4.187005064 6.313560692 0 0 0 # hc 85 2 7 0.126800 2.255914573 6.186989112 7.417413288 0 0 0 # hc 86 2 7 0.126800 5.527988732 6.124581484 10.195551719 0 0 0 # hc 87 2 7 0.126800 6.412124981 4.095713702 9.130497402 0 0 0 # hc 88 2 7 0.053000 4.366884269 2.462139686 5.321441365 0 0 0 # hc 89 2 7 0.053000 3.524697150 1.925984244 6.795272283 0 0 0 # hc 90 2 7 0.053000 5.338569636 13.171251734 7.093285938 0 -1 0 # hc 91 2 7 0.053000 3.729594410 13.003063389 4.473008990 0 -1 0 # hc 92 2 7 0.053000 3.093743878 12.600385010 6.090623108 0 -1 0 # hc 93 2 7 0.053000 4.389469099 11.614800690 5.371871731 0 -1 0 # hc 94 2 8 0.424100 6.521605676 12.705221110 5.160032867 0 -1 0 # ho 95 3 1 -0.126800 10.293763870 5.980950027 0.004636343 0 0 1 # cp 96 3 1 0.000000 9.590246470 7.130821539 12.700031826 0 0 0 # cp 97 3 1 0.082700 10.039407707 7.909231107 11.625041001 0 0 0 # cp 98 3 1 0.000000 11.184118887 7.534722008 10.895880784 0 0 0 # cp 99 3 1 0.082700 11.849679104 6.338441011 11.238046471 0 0 0 # cp 100 3 1 0.000000 11.404212018 5.549032750 12.307152122 0 0 0 # cp 101 3 3 -0.106000 12.078000660 4.257729438 12.732353914 0 0 0 # c2 102 3 3 -0.106000 8.372830529 7.477231468 0.537280839 0 0 1 # c2 103 3 5 -0.159000 7.137259638 6.741650389 0.003277981 0 0 1 # c3 104 3 5 -0.159000 11.589221358 3.084118495 11.872540011 0 0 0 # c3 105 3 5 -0.159000 11.696731756 8.377422416 9.736470486 0 0 0 # c3 106 3 9 -0.580100 9.321643397 9.077237461 11.267102817 0 0 0 # nb 107 3 9 -0.580100 12.973983910 5.926767454 10.492612319 0 0 0 # nb 108 3 7 0.126800 9.934892412 5.362631440 0.843062501 0 0 1 # hc 109 3 7 0.053000 11.862650784 4.043691221 0.792249648 0 0 1 # hc 110 3 7 0.053000 0.174640388 4.341209002 12.673043987 1 0 0 # hc 111 3 7 0.053000 8.185987295 8.562554130 0.556123086 0 0 1 # hc 112 3 7 0.053000 8.540397814 7.193409891 1.590162074 0 0 1 # hc 113 3 7 0.053000 6.233011237 6.997271085 0.578382829 0 0 1 # hc 114 3 7 0.053000 7.267233977 5.649331339 0.064320610 0 0 1 # hc 115 3 7 0.053000 6.947255031 6.997398555 11.950213459 0 0 0 # hc 116 3 7 0.053000 11.812607445 3.247069475 10.806049484 0 0 0 # hc 117 3 7 0.053000 10.499894527 2.947740800 11.970555192 0 0 0 # hc 118 3 7 0.053000 12.071133526 2.137628200 12.168067037 0 0 0 # hc 119 3 7 0.053000 12.788069514 8.521453850 9.793635747 0 0 0 # hc 120 3 7 0.053000 11.265457261 9.388021203 9.707437753 0 0 0 # hc 121 3 7 0.053000 11.469947067 7.896487811 8.769634083 0 0 0 # hc 122 3 10 0.248700 8.353361605 8.994189541 11.507500250 0 0 0 # hn 123 3 10 0.248700 9.405671740 9.267330092 10.288392168 0 0 0 # hn 124 3 10 0.248700 0.473485382 6.678319659 10.066723790 1 0 0 # hn 125 3 10 0.248700 0.578874394 5.305185403 10.985437030 1 0 0 # hn Bonds 1 1 1 2 2 1 1 6 3 2 1 24 4 1 2 3 5 3 2 7 6 1 3 4 7 2 3 25 8 1 4 5 9 2 4 26 10 1 5 6 11 4 5 12 12 2 6 27 13 5 7 8 14 6 8 9 15 7 8 28 16 7 8 29 17 8 9 10 18 9 9 11 19 10 9 30 20 11 10 31 21 11 10 32 22 11 10 33 23 12 11 34 24 4 15 12 25 7 12 35 26 7 12 36 27 1 13 14 28 1 13 18 29 2 13 37 30 1 14 15 31 2 14 38 32 1 15 16 33 1 16 17 34 2 16 39 35 1 17 18 36 2 17 40 37 3 18 19 38 5 19 20 39 6 20 21 40 7 20 41 41 7 20 42 42 8 21 22 43 9 21 23 44 10 21 43 45 11 22 44 46 11 22 45 47 11 22 46 48 12 23 47 49 1 48 49 50 1 48 53 51 2 48 71 52 1 49 50 53 3 49 54 54 1 50 51 55 2 50 72 56 1 51 52 57 2 51 73 58 1 52 53 59 4 52 59 60 2 53 74 61 5 54 55 62 6 55 56 63 7 55 75 64 7 55 76 65 8 56 57 66 9 56 58 67 10 56 77 68 11 57 78 69 11 57 79 70 11 57 80 71 12 58 81 72 4 62 59 73 7 59 82 74 7 59 83 75 1 60 61 76 1 60 65 77 2 60 84 78 1 61 62 79 2 61 85 80 1 62 63 81 1 63 64 82 2 63 86 83 1 64 65 84 2 64 87 85 3 65 66 86 5 66 67 87 6 67 68 88 7 67 88 89 7 67 89 90 8 68 69 91 9 68 70 92 10 68 90 93 11 69 91 94 11 69 92 95 11 69 93 96 12 70 94 97 1 95 96 98 1 95 100 99 2 95 108 100 1 96 97 101 4 96 102 102 1 97 98 103 13 97 106 104 1 98 99 105 14 98 105 106 1 99 100 107 13 99 107 108 4 100 101 109 15 101 104 110 7 101 109 111 7 101 110 112 15 102 103 113 7 102 111 114 7 102 112 115 11 103 113 116 11 103 114 117 11 103 115 118 11 104 116 119 11 104 117 120 11 104 118 121 11 105 119 122 11 105 120 123 11 105 121 124 16 106 122 125 16 106 123 126 16 107 124 127 16 107 125 Angles 1 1 2 1 6 2 2 2 1 24 3 2 6 1 24 4 1 3 2 1 5 3 3 2 7 6 3 1 2 7 7 1 2 3 4 8 2 2 3 25 9 2 4 3 25 10 1 3 4 5 11 2 3 4 26 12 2 5 4 26 13 1 4 5 6 14 4 4 5 12 15 4 6 5 12 16 1 5 6 1 17 2 5 6 27 18 2 1 6 27 19 5 2 7 8 20 6 7 8 9 21 7 7 8 28 22 7 7 8 29 23 8 9 8 28 24 8 9 8 29 25 9 28 8 29 26 10 8 9 10 27 11 8 9 11 28 12 8 9 30 29 13 10 9 11 30 14 10 9 30 31 15 11 9 30 32 16 9 10 31 33 16 9 10 32 34 16 9 10 33 35 17 31 10 32 36 17 31 10 33 37 17 32 10 33 38 18 9 11 34 39 19 5 12 15 40 20 5 12 35 41 20 5 12 36 42 20 15 12 35 43 20 15 12 36 44 9 35 12 36 45 1 14 13 18 46 2 14 13 37 47 2 18 13 37 48 1 15 14 13 49 2 15 14 38 50 2 13 14 38 51 1 14 15 16 52 4 14 15 12 53 4 16 15 12 54 1 15 16 17 55 2 15 16 39 56 2 17 16 39 57 1 16 17 18 58 2 16 17 40 59 2 18 17 40 60 1 17 18 13 61 3 17 18 19 62 3 13 18 19 63 5 18 19 20 64 6 19 20 21 65 7 19 20 41 66 7 19 20 42 67 8 21 20 41 68 8 21 20 42 69 9 41 20 42 70 10 20 21 22 71 11 20 21 23 72 12 20 21 43 73 13 22 21 23 74 14 22 21 43 75 15 23 21 43 76 16 21 22 44 77 16 21 22 45 78 16 21 22 46 79 17 44 22 45 80 17 44 22 46 81 17 45 22 46 82 18 21 23 47 83 1 49 48 53 84 2 49 48 71 85 2 53 48 71 86 1 50 49 48 87 3 50 49 54 88 3 48 49 54 89 1 49 50 51 90 2 49 50 72 91 2 51 50 72 92 1 50 51 52 93 2 50 51 73 94 2 52 51 73 95 1 51 52 53 96 4 51 52 59 97 4 53 52 59 98 1 52 53 48 99 2 52 53 74 100 2 48 53 74 101 5 49 54 55 102 6 54 55 56 103 7 54 55 75 104 7 54 55 76 105 8 56 55 75 106 8 56 55 76 107 9 75 55 76 108 10 55 56 57 109 11 55 56 58 110 12 55 56 77 111 13 57 56 58 112 14 57 56 77 113 15 58 56 77 114 16 56 57 78 115 16 56 57 79 116 16 56 57 80 117 17 78 57 79 118 17 78 57 80 119 17 79 57 80 120 18 56 58 81 121 19 52 59 62 122 20 52 59 82 123 20 52 59 83 124 20 62 59 82 125 20 62 59 83 126 9 82 59 83 127 1 61 60 65 128 2 61 60 84 129 2 65 60 84 130 1 62 61 60 131 2 62 61 85 132 2 60 61 85 133 1 61 62 63 134 4 61 62 59 135 4 63 62 59 136 1 62 63 64 137 2 62 63 86 138 2 64 63 86 139 1 63 64 65 140 2 63 64 87 141 2 65 64 87 142 1 64 65 60 143 3 64 65 66 144 3 60 65 66 145 5 65 66 67 146 6 66 67 68 147 7 66 67 88 148 7 66 67 89 149 8 68 67 88 150 8 68 67 89 151 9 88 67 89 152 10 67 68 69 153 11 67 68 70 154 12 67 68 90 155 13 69 68 70 156 14 69 68 90 157 15 70 68 90 158 16 68 69 91 159 16 68 69 92 160 16 68 69 93 161 17 91 69 92 162 17 91 69 93 163 17 92 69 93 164 18 68 70 94 165 1 96 95 100 166 2 96 95 108 167 2 100 95 108 168 1 97 96 95 169 4 97 96 102 170 4 95 96 102 171 1 96 97 98 172 21 96 97 106 173 21 98 97 106 174 1 97 98 99 175 22 97 98 105 176 22 99 98 105 177 1 98 99 100 178 21 98 99 107 179 21 100 99 107 180 1 99 100 95 181 4 99 100 101 182 4 95 100 101 183 23 100 101 104 184 20 100 101 109 185 20 100 101 110 186 24 104 101 109 187 24 104 101 110 188 9 109 101 110 189 23 96 102 103 190 20 96 102 111 191 20 96 102 112 192 24 103 102 111 193 24 103 102 112 194 9 111 102 112 195 25 102 103 113 196 25 102 103 114 197 25 102 103 115 198 17 113 103 114 199 17 113 103 115 200 17 114 103 115 201 25 101 104 116 202 25 101 104 117 203 25 101 104 118 204 17 116 104 117 205 17 116 104 118 206 17 117 104 118 207 26 98 105 119 208 26 98 105 120 209 26 98 105 121 210 17 119 105 120 211 17 119 105 121 212 17 120 105 121 213 27 97 106 122 214 27 97 106 123 215 28 122 106 123 216 27 99 107 124 217 27 99 107 125 218 28 124 107 125 Dihedrals 1 1 6 1 2 3 2 2 6 1 2 7 3 3 3 2 1 24 4 4 7 2 1 24 5 1 2 1 6 5 6 3 2 1 6 27 7 3 5 6 1 24 8 5 24 1 6 27 9 1 1 2 3 4 10 3 1 2 3 25 11 2 4 3 2 7 12 4 7 2 3 25 13 6 3 2 7 8 14 6 1 2 7 8 15 1 2 3 4 5 16 3 2 3 4 26 17 3 5 4 3 25 18 5 25 3 4 26 19 1 3 4 5 6 20 7 3 4 5 12 21 3 6 5 4 26 22 8 12 5 4 26 23 1 4 5 6 1 24 3 4 5 6 27 25 7 1 6 5 12 26 8 12 5 6 27 27 9 4 5 12 15 28 10 4 5 12 35 29 10 4 5 12 36 30 9 6 5 12 15 31 10 6 5 12 35 32 10 6 5 12 36 33 11 2 7 8 9 34 12 2 7 8 28 35 12 2 7 8 29 36 13 7 8 9 10 37 14 7 8 9 11 38 15 7 8 9 30 39 16 28 8 9 10 40 17 28 8 9 11 41 18 28 8 9 30 42 16 29 8 9 10 43 17 29 8 9 11 44 18 29 8 9 30 45 19 8 9 10 31 46 19 8 9 10 32 47 19 8 9 10 33 48 20 11 9 10 31 49 20 11 9 10 32 50 20 11 9 10 33 51 21 30 9 10 31 52 21 30 9 10 32 53 21 30 9 10 33 54 22 8 9 11 34 55 23 10 9 11 34 56 24 30 9 11 34 57 9 14 15 12 5 58 9 16 15 12 5 59 10 14 15 12 35 60 10 16 15 12 35 61 10 14 15 12 36 62 10 16 15 12 36 63 1 18 13 14 15 64 3 18 13 14 38 65 3 15 14 13 37 66 5 37 13 14 38 67 1 14 13 18 17 68 2 14 13 18 19 69 3 17 18 13 37 70 4 19 18 13 37 71 1 13 14 15 16 72 7 13 14 15 12 73 3 16 15 14 38 74 8 12 15 14 38 75 1 14 15 16 17 76 3 14 15 16 39 77 7 17 16 15 12 78 8 12 15 16 39 79 1 15 16 17 18 80 3 15 16 17 40 81 3 18 17 16 39 82 5 39 16 17 40 83 1 16 17 18 13 84 2 16 17 18 19 85 3 13 18 17 40 86 4 19 18 17 40 87 6 17 18 19 20 88 6 13 18 19 20 89 11 18 19 20 21 90 12 18 19 20 41 91 12 18 19 20 42 92 13 19 20 21 22 93 14 19 20 21 23 94 15 19 20 21 43 95 16 41 20 21 22 96 17 41 20 21 23 97 18 41 20 21 43 98 16 42 20 21 22 99 17 42 20 21 23 100 18 42 20 21 43 101 19 20 21 22 44 102 19 20 21 22 45 103 19 20 21 22 46 104 20 23 21 22 44 105 20 23 21 22 45 106 20 23 21 22 46 107 21 43 21 22 44 108 21 43 21 22 45 109 21 43 21 22 46 110 22 20 21 23 47 111 23 22 21 23 47 112 24 43 21 23 47 113 1 53 48 49 50 114 2 53 48 49 54 115 3 50 49 48 71 116 4 54 49 48 71 117 1 49 48 53 52 118 3 49 48 53 74 119 3 52 53 48 71 120 5 71 48 53 74 121 1 48 49 50 51 122 3 48 49 50 72 123 2 51 50 49 54 124 4 54 49 50 72 125 6 50 49 54 55 126 6 48 49 54 55 127 1 49 50 51 52 128 3 49 50 51 73 129 3 52 51 50 72 130 5 72 50 51 73 131 1 50 51 52 53 132 7 50 51 52 59 133 3 53 52 51 73 134 8 59 52 51 73 135 1 51 52 53 48 136 3 51 52 53 74 137 7 48 53 52 59 138 8 59 52 53 74 139 9 51 52 59 62 140 10 51 52 59 82 141 10 51 52 59 83 142 9 53 52 59 62 143 10 53 52 59 82 144 10 53 52 59 83 145 11 49 54 55 56 146 12 49 54 55 75 147 12 49 54 55 76 148 13 54 55 56 57 149 14 54 55 56 58 150 15 54 55 56 77 151 16 75 55 56 57 152 17 75 55 56 58 153 18 75 55 56 77 154 16 76 55 56 57 155 17 76 55 56 58 156 18 76 55 56 77 157 19 55 56 57 78 158 19 55 56 57 79 159 19 55 56 57 80 160 20 58 56 57 78 161 20 58 56 57 79 162 20 58 56 57 80 163 21 77 56 57 78 164 21 77 56 57 79 165 21 77 56 57 80 166 22 55 56 58 81 167 23 57 56 58 81 168 24 77 56 58 81 169 9 61 62 59 52 170 9 63 62 59 52 171 10 61 62 59 82 172 10 63 62 59 82 173 10 61 62 59 83 174 10 63 62 59 83 175 1 65 60 61 62 176 3 65 60 61 85 177 3 62 61 60 84 178 5 84 60 61 85 179 1 61 60 65 64 180 2 61 60 65 66 181 3 64 65 60 84 182 4 66 65 60 84 183 1 60 61 62 63 184 7 60 61 62 59 185 3 63 62 61 85 186 8 59 62 61 85 187 1 61 62 63 64 188 3 61 62 63 86 189 7 64 63 62 59 190 8 59 62 63 86 191 1 62 63 64 65 192 3 62 63 64 87 193 3 65 64 63 86 194 5 86 63 64 87 195 1 63 64 65 60 196 2 63 64 65 66 197 3 60 65 64 87 198 4 66 65 64 87 199 6 64 65 66 67 200 6 60 65 66 67 201 11 65 66 67 68 202 12 65 66 67 88 203 12 65 66 67 89 204 13 66 67 68 69 205 14 66 67 68 70 206 15 66 67 68 90 207 16 88 67 68 69 208 17 88 67 68 70 209 18 88 67 68 90 210 16 89 67 68 69 211 17 89 67 68 70 212 18 89 67 68 90 213 19 67 68 69 91 214 19 67 68 69 92 215 19 67 68 69 93 216 20 70 68 69 91 217 20 70 68 69 92 218 20 70 68 69 93 219 21 90 68 69 91 220 21 90 68 69 92 221 21 90 68 69 93 222 22 67 68 70 94 223 23 69 68 70 94 224 24 90 68 70 94 225 1 100 95 96 97 226 7 100 95 96 102 227 3 97 96 95 108 228 8 102 96 95 108 229 1 96 95 100 99 230 7 96 95 100 101 231 3 99 100 95 108 232 8 101 100 95 108 233 1 95 96 97 98 234 25 95 96 97 106 235 7 98 97 96 102 236 26 102 96 97 106 237 27 97 96 102 103 238 10 97 96 102 111 239 10 97 96 102 112 240 27 95 96 102 103 241 10 95 96 102 111 242 10 95 96 102 112 243 1 96 97 98 99 244 28 96 97 98 105 245 25 99 98 97 106 246 29 105 98 97 106 247 30 96 97 106 122 248 30 96 97 106 123 249 30 98 97 106 122 250 30 98 97 106 123 251 1 97 98 99 100 252 25 97 98 99 107 253 28 100 99 98 105 254 29 105 98 99 107 255 31 97 98 105 119 256 31 97 98 105 120 257 31 97 98 105 121 258 31 99 98 105 119 259 31 99 98 105 120 260 31 99 98 105 121 261 1 98 99 100 95 262 7 98 99 100 101 263 25 95 100 99 107 264 26 101 100 99 107 265 30 98 99 107 124 266 30 98 99 107 125 267 30 100 99 107 124 268 30 100 99 107 125 269 27 99 100 101 104 270 10 99 100 101 109 271 10 99 100 101 110 272 27 95 100 101 104 273 10 95 100 101 109 274 10 95 100 101 110 275 32 100 101 104 116 276 32 100 101 104 117 277 32 100 101 104 118 278 33 109 101 104 116 279 33 109 101 104 117 280 33 109 101 104 118 281 33 110 101 104 116 282 33 110 101 104 117 283 33 110 101 104 118 284 32 96 102 103 113 285 32 96 102 103 114 286 32 96 102 103 115 287 33 111 102 103 113 288 33 111 102 103 114 289 33 111 102 103 115 290 33 112 102 103 113 291 33 112 102 103 114 292 33 112 102 103 115 Impropers 1 1 2 1 6 24 2 2 3 2 1 7 3 1 2 3 4 25 4 1 3 4 5 26 5 3 4 5 6 12 6 1 5 6 1 27 7 1 14 13 18 37 8 1 15 14 13 38 9 3 14 15 16 12 10 1 15 16 17 39 11 1 16 17 18 40 12 2 17 18 13 19 13 1 49 48 53 71 14 2 50 49 48 54 15 1 49 50 51 72 16 1 50 51 52 73 17 3 51 52 53 59 18 1 52 53 48 74 19 1 61 60 65 84 20 1 62 61 60 85 21 3 61 62 63 59 22 1 62 63 64 86 23 1 63 64 65 87 24 2 64 65 60 66 25 1 96 95 100 108 26 3 97 96 95 102 27 4 96 97 98 106 28 5 97 98 99 105 29 4 98 99 100 107 30 3 99 100 95 101 31 6 97 106 122 123 32 6 99 107 124 125 33 7 7 8 9 28 34 7 7 8 9 29 35 8 7 8 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