# two molecules DGEBA (diepoxy) and one DETA (linker) 118 atoms 123 bonds 221 angles 302 dihedrals 115 impropers 11 atom types 19 bond types 50 angle types 66 dihedral types 22 improper types 10 30 xlo xhi -10 20 ylo yhi -15 10 zlo zhi Masses 1 12.011150 # c2 2 12.011150 # c3m 3 15.999400 # o3e 4 12.011150 # cp 5 12.011150 # c 6 12.011150 # c3 7 15.999400 # oc 8 1.007970 # hc 9 14.006700 # na 10 1.007970 # hn 11 1.007970 # ho Pair Coeffs # lj/class2/coul/long 1 0.0540000000 4.0100000000 # c2 2 0.0540000000 4.0100000000 # c3m 3 0.2400000000 3.5350000000 # o3e 4 0.0640000000 4.0100000000 # cp 5 0.0540000000 4.0100000000 # c 6 0.0540000000 4.0100000000 # c3 7 0.2400000000 3.5350000000 # oc 8 0.0200000000 2.7000000000 # hc 9 0.0650000000 4.0700000000 # na 10 0.0130000000 1.0980000000 # hn 11 0.0130000000 1.0980000000 # ho Bond Coeffs # class2 1 1.1010 345.0000 -691.8900 844.6000 # c2-hc 2 1.5300 299.6700 -501.7700 679.8100 # c2-c3m 3 1.4200 400.3954 -835.1951 1313.0142 # c2-oc 4 1.4200 400.3954 -835.1951 1313.0142 # c3m-o3e 5 1.5300 299.6700 -501.7700 679.8100 # c3m-c3m 6 1.1010 345.0000 -691.8900 844.6000 # c3m-hc 7 1.4170 470.8361 -627.6179 1327.6345 # cp-cp 8 1.3768 428.8798 -738.2351 1114.9655 # cp-oc 9 1.0982 372.8251 -803.4526 894.3173 # cp-hc 10 1.5010 321.9021 -521.8208 572.1628 # cp-c 11 1.5300 299.6700 -501.7700 679.8100 # c-c3 12 1.1010 345.0000 -691.8900 844.6000 # c3-hc 13 1.4570 365.8052 -699.6368 998.4842 # c2-na 14 1.0060 466.7400 -1073.6018 1251.1056 # na-hn 15 1.5300 299.6700 -501.7700 679.8100 # c2-c2 16 1.5300 299.6700 -501.7700 679.8100 # c2-c3 17 1.4200 400.3954 -835.1951 1313.0142 # c3-oc 18 0.9650 532.5062 -1282.9050 2004.7658 # oc-ho 19 1.4200 400.3954 -835.1951 1313.0142 # c3m-oc Angle Coeffs # class2 1 110.7700 41.4530 -10.6040 5.1290 # c3m-c2-hc 2 107.6600 39.6410 -12.9210 -2.4318 # hc-c2-hc 3 108.7280 58.5446 -10.8088 -12.4006 # oc-c2-hc 4 111.2700 54.5381 -8.3642 -13.0838 # c3m-c2-oc 5 111.2700 54.5381 -8.3642 -13.0838 # c2-c3m-o3e 6 112.6700 39.5160 -7.4430 -9.5583 # c2-c3m-c3m 7 110.7700 41.4530 -10.6040 5.1290 # c2-c3m-hc 8 111.2700 54.5381 -8.3642 -13.0838 # c3m-c3m-o3e 9 108.7280 58.5446 -10.8088 -12.4006 # o3e-c3m-hc 10 110.7700 41.4530 -10.6040 5.1290 # c3m-c3m-hc 11 107.6600 39.6410 -12.9210 -2.4318 # hc-c3m-hc 12 104.5000 35.7454 -10.0067 -6.2729 # c3m-o3e-c3m 13 118.9000 61.0226 -34.9931 0.0000 # cp-cp-cp 14 123.4200 73.6781 -21.6787 0.0000 # cp-cp-oc 15 117.9400 35.1558 -12.4682 0.0000 # cp-cp-hc 16 120.0500 44.7148 -22.7352 0.0000 # cp-cp-c 17 108.4000 43.9594 -8.3924 -9.3379 # cp-c-c3 18 111.0000 44.3234 -9.4454 0.0000 # cp-c-cp 19 112.6700 39.5160 -7.4430 -9.5583 # c3-c-c3 20 110.7700 41.4530 -10.6040 5.1290 # c-c3-hc 21 107.6600 39.6410 -12.9210 -2.4318 # hc-c3-hc 22 102.9695 38.9739 -6.2595 -8.1710 # c2-oc-cp 23 112.4436 47.2337 -10.6612 -10.2062 # c2-na-c2 24 110.9538 50.8652 -4.4522 -10.0298 # c2-na-hn 25 111.9100 60.7147 -13.3366 -13.0785 # c2-c2-na 26 110.6204 51.3137 -6.7198 -2.6003 # hc-c2-na 27 110.7700 41.4530 -10.6040 5.1290 # c2-c2-hc 28 107.0671 45.2520 -7.5558 -9.5120 # hn-na-hn 29 112.6700 39.5160 -7.4430 -9.5583 # c3m-c3m-c2 30 110.7700 41.4530 -10.6040 5.1290 # c3-c2-hc 31 111.9100 60.7147 -13.3366 -13.0785 # c3-c2-na 32 112.6700 39.5160 -7.4430 -9.5583 # c2-c3-c2 33 110.7700 41.4530 -10.6040 5.1290 # c2-c3-hc 34 111.2700 54.5381 -8.3642 -13.0838 # c2-c3-oc 35 108.7280 58.5446 -10.8088 -12.4006 # oc-c3-hc 36 111.2700 54.5381 -8.3642 -13.0838 # c3-c2-oc 37 105.8000 52.7061 -12.1090 -9.8681 # c3-oc-ho 38 108.7280 58.5446 -10.8088 -12.4006 # hc-c3m-o3e 39 110.7700 41.4530 -10.6040 5.1290 # hc-c3m-c3m 40 111.2700 54.5381 -8.3642 -13.0838 # oc-c2-c3m 41 110.7700 41.4530 -10.6040 5.1290 # hc-c2-c3m 42 111.9100 60.7147 -13.3366 -13.0785 # c3m-c2-na 43 112.6700 39.5160 -7.4430 -9.5583 # c2-c3m-c2 44 111.2700 54.5381 -8.3642 -13.0838 # c2-c3m-oc 45 108.7280 58.5446 -10.8088 -12.4006 # oc-c3m-hc 46 105.8000 52.7061 -12.1090 -9.8681 # c3m-oc-ho 47 111.9100 60.7147 -13.3366 -13.0785 # na-c2-c3 48 110.7700 41.4530 -10.6040 5.1290 # hc-c2-c3 49 111.2700 54.5381 -8.3642 -13.0838 # oc-c2-c3 50 105.8000 52.7061 -12.1090 -9.8681 # ho-oc-c3 Dihedral Coeffs # class2 1 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000# hc-c2-c3m-o3e 2 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# hc-c2-c3m-c3m 3 -0.1432 0.0000 0.0617 0.0000 -0.1083 0.0000# hc-c2-c3m-hc 4 -0.1820 0.0000 -0.1084 0.0000 -0.7047 0.0000# oc-c2-c3m-o3e 5 0.7137 0.0000 0.2660 0.0000 -0.2545 0.0000# oc-c2-c3m-c3m 6 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000# oc-c2-c3m-hc 7 0.9513 0.0000 0.1155 0.0000 0.0720 0.0000# hc-c2-oc-cp 8 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000# c3m-c2-oc-cp 9 -0.5203 0.0000 -0.3028 0.0000 -0.3450 0.0000# c2-c3m-o3e-c3m 10 0.5302 0.0000 0.0000 0.0000 -0.3966 0.0000# hc-c3m-o3e-c3m 11 0.7137 0.0000 0.2660 0.0000 -0.2545 0.0000# c2-c3m-c3m-o3e 12 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# c2-c3m-c3m-hc 13 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000# o3e-c3m-c3m-hc 14 -0.1432 0.0000 0.0617 0.0000 -0.1083 0.0000# hc-c3m-c3m-hc 15 8.3667 0.0000 1.1932 0.0000 0.0000 0.0000# cp-cp-cp-cp 16 0.0000 0.0000 3.9661 0.0000 0.0000 0.0000# cp-cp-cp-hc 17 0.0000 0.0000 4.8498 0.0000 0.0000 0.0000# cp-cp-cp-oc 18 0.0000 0.0000 1.7234 0.0000 0.0000 0.0000# oc-cp-cp-hc 19 0.0000 0.0000 1.5000 0.0000 0.0000 0.0000# cp-cp-oc-c2 20 0.0000 0.0000 1.8769 0.0000 0.0000 0.0000# hc-cp-cp-hc 21 0.0000 0.0000 4.4072 0.0000 0.0000 0.0000# cp-cp-cp-c 22 0.0000 0.0000 1.5590 0.0000 0.0000 0.0000# c-cp-cp-hc 23 -0.2802 0.0000 -0.0678 0.0000 -0.0122 0.0000# cp-cp-c-c3 24 -0.2802 0.0000 -0.0678 0.0000 -0.0122 0.0000# cp-cp-c-cp 25 -0.0228 0.0000 0.0280 0.0000 -0.1863 0.0000# cp-c-c3-hc 26 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# c3-c-c3-hc 27 -0.1406 0.0000 0.4168 0.0000 0.0150 0.0000# c2-c2-na-c2 28 0.1904 0.0000 -0.1342 0.0000 -0.2460 0.0000# hc-c2-na-c2 29 -1.1506 0.0000 -0.6344 0.0000 -0.1845 0.0000# c2-c2-na-hn 30 -0.5187 0.0000 -0.4837 0.0000 -0.1692 0.0000# hc-c2-na-hn 31 0.3805 0.0000 0.3547 0.0000 -0.1102 0.0000# na-c2-c2-na 32 -0.2428 0.0000 0.4065 0.0000 -0.3079 0.0000# hc-c2-c2-na 33 -0.1432 0.0000 0.0617 0.0000 -0.1083 0.0000# hc-c2-c2-hc 34 0.7137 0.0000 0.2660 0.0000 -0.2545 0.0000# c3m-c3m-c2-oc 35 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# c3m-c3m-c2-hc 36 -0.1820 0.0000 -0.1084 0.0000 -0.7047 0.0000# o3e-c3m-c2-oc 37 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000# o3e-c3m-c2-hc 38 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000# hc-c3m-c2-oc 39 -0.1432 0.0000 0.0617 0.0000 -0.1083 0.0000# hc-c3m-c2-hc 40 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# hc-c2-c3-c2 41 -0.1432 0.0000 0.0617 0.0000 -0.1083 0.0000# hc-c2-c3-hc 42 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000# hc-c2-c3-oc 43 0.1764 0.0000 0.1766 0.0000 -0.5206 0.0000# na-c2-c3-c2 44 -0.2428 0.0000 0.4065 0.0000 -0.3079 0.0000# na-c2-c3-hc 45 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000# na-c2-c3-oc 46 -0.1406 0.0000 0.4168 0.0000 0.0150 0.0000# c3-c2-na-c2 47 -1.1506 0.0000 -0.6344 0.0000 -0.1845 0.0000# c3-c2-na-hn 48 0.7137 0.0000 0.2660 0.0000 -0.2545 0.0000# oc-c2-c3-c2 49 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000# oc-c2-c3-hc 50 -0.1820 0.0000 -0.1084 0.0000 -0.7047 0.0000# oc-c2-c3-oc 51 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000# c3-c2-oc-cp 52 -0.6732 0.0000 -0.4778 0.0000 -0.1670 0.0000# c2-c3-oc-ho 53 0.1863 0.0000 -0.4338 0.0000 -0.2121 0.0000# hc-c3-oc-ho 54 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000# hc-c3m-c3m-o3e 55 0.0000 0.0000 0.0316 0.0000 -0.1681 0.0000# hc-c2-c3m-c2 56 -0.1435 0.0000 0.2530 0.0000 -0.0905 0.0000# hc-c2-c3m-oc 57 0.1764 0.0000 0.1766 0.0000 -0.5206 0.0000# na-c2-c3m-c2 58 -0.2428 0.0000 0.4065 0.0000 -0.3079 0.0000# na-c2-c3m-hc 59 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000# na-c2-c3m-oc 60 -0.1406 0.0000 0.4168 0.0000 0.0150 0.0000# c3m-c2-na-c2 61 0.7137 0.0000 0.2660 0.0000 -0.2545 0.0000# oc-c2-c3m-c2 62 -0.1820 0.0000 -0.1084 0.0000 -0.7047 0.0000# oc-c2-c3m-oc 63 -0.6732 0.0000 -0.4778 0.0000 -0.1670 0.0000# c2-c3m-oc-ho 64 0.1863 0.0000 -0.4338 0.0000 -0.2121 0.0000# hc-c3m-oc-ho 65 -0.6732 0.0000 -0.4778 0.0000 -0.1670 0.0000# ho-oc-c3-c2 66 0.1863 0.0000 -0.4338 0.0000 -0.2121 0.0000# ho-oc-c3-hc Improper Coeffs # class2 1 13.0421 0.0000 # cp-cp-cp-oc 2 4.8912 0.0000 # cp-cp-cp-hc 3 7.8153 0.0000 # cp-cp-cp-c 4 0.0000 0.0000 # c2-na-c2-hn 5 0.0000 0.0000 # c2-na-hn-hn 6 0.0000 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 20 0.0000 0.0000 21 0.0000 0.0000 22 0.0000 0.0000 # c2-na-c2-c2 BondBond Coeffs 1 3.3872 1.5300 1.1010 2 5.3316 1.1010 1.1010 3 23.1979 1.4200 1.1010 4 11.4318 1.5300 1.4200 5 11.4318 1.5300 1.4200 6 0.0000 1.5300 1.5300 7 3.3872 1.5300 1.1010 8 11.4318 1.5300 1.4200 9 23.1979 1.4200 1.1010 10 3.3872 1.5300 1.1010 11 5.3316 1.1010 1.1010 12 -7.1131 1.4200 1.4200 13 68.2856 1.4170 1.4170 14 48.4754 1.4170 1.3768 15 1.0795 1.4170 1.0982 16 12.0676 1.4170 1.5010 17 0.0000 1.5010 1.5300 18 0.0000 1.5010 1.5010 19 0.0000 1.5300 1.5300 20 3.3872 1.5300 1.1010 21 5.3316 1.1010 1.1010 22 0.0000 1.4200 1.3768 23 -2.1113 1.4570 1.4570 24 -6.4168 1.4570 1.0060 25 4.6217 1.5300 1.4570 26 12.4260 1.1010 1.4570 27 3.3872 1.5300 1.1010 28 -1.8749 1.0060 1.0060 29 0.0000 1.5300 1.5300 30 3.3872 1.5300 1.1010 31 4.6217 1.5300 1.4570 32 0.0000 1.5300 1.5300 33 3.3872 1.5300 1.1010 34 11.4318 1.5300 1.4200 35 23.1979 1.4200 1.1010 36 11.4318 1.5300 1.4200 37 -9.6879 1.4200 0.9650 38 23.1979 1.1010 1.4200 39 3.3872 1.1010 1.5300 40 11.4318 1.4200 1.5300 41 3.3872 1.1010 1.5300 42 4.6217 1.5300 1.4570 43 0.0000 1.5300 1.5300 44 11.4318 1.5300 1.4200 45 23.1979 1.4200 1.1010 46 -9.6879 1.4200 0.9650 47 4.6217 1.4570 1.5300 48 3.3872 1.1010 1.5300 49 11.4318 1.4200 1.5300 50 -9.6879 0.9650 1.4200 BondAngle Coeffs 1 20.7540 11.4210 1.5300 1.1010 2 18.1030 18.1030 1.1010 1.1010 3 55.3270 4.6189 1.4200 1.1010 4 2.6868 20.4033 1.5300 1.4200 5 2.6868 20.4033 1.5300 1.4200 6 8.0160 8.0160 1.5300 1.5300 7 20.7540 11.4210 1.5300 1.1010 8 2.6868 20.4033 1.5300 1.4200 9 55.3270 4.6189 1.4200 1.1010 10 20.7540 11.4210 1.5300 1.1010 11 18.1030 18.1030 1.1010 1.1010 12 -2.8112 -2.8112 1.4200 1.4200 13 28.8708 28.8708 1.4170 1.4170 14 58.4790 107.6806 1.4170 1.3768 15 20.0033 24.2183 1.4170 1.0982 16 31.0771 47.0579 1.4170 1.5010 17 0.0000 0.0000 1.5010 1.5300 18 0.0000 0.0000 1.5010 1.5010 19 8.0160 8.0160 1.5300 1.5300 20 20.7540 11.4210 1.5300 1.1010 21 18.1030 18.1030 1.1010 1.1010 22 0.0000 0.0000 1.4200 1.3768 23 -7.2229 -7.2229 1.4570 1.4570 24 31.8096 20.5799 1.4570 1.0060 25 6.0876 16.5702 1.5300 1.4570 26 13.4582 42.4332 1.1010 1.4570 27 20.7540 11.4210 1.5300 1.1010 28 28.0322 28.0322 1.0060 1.0060 29 8.0160 8.0160 1.5300 1.5300 30 20.7540 11.4210 1.5300 1.1010 31 6.0876 16.5702 1.5300 1.4570 32 8.0160 8.0160 1.5300 1.5300 33 20.7540 11.4210 1.5300 1.1010 34 2.6868 20.4033 1.5300 1.4200 35 55.3270 4.6189 1.4200 1.1010 36 2.6868 20.4033 1.5300 1.4200 37 28.5800 18.9277 1.4200 0.9650 38 4.6189 55.3270 1.1010 1.4200 39 11.4210 20.7540 1.1010 1.5300 40 20.4033 2.6868 1.4200 1.5300 41 11.4210 20.7540 1.1010 1.5300 42 6.0876 16.5702 1.5300 1.4570 43 8.0160 8.0160 1.5300 1.5300 44 2.6868 20.4033 1.5300 1.4200 45 55.3270 4.6189 1.4200 1.1010 46 28.5800 18.9277 1.4200 0.9650 47 16.5702 6.0876 1.4570 1.5300 48 11.4210 20.7540 1.1010 1.5300 49 20.4033 2.6868 1.4200 1.5300 50 18.9277 28.5800 0.9650 1.4200 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 118.9000 120.0500 120.0500 4 0.0000 0.0000 0.0000 112.4436 110.9538 110.9538 5 0.0000 0.0000 0.0000 110.9538 107.0671 110.9538 6 0.2738 -0.4825 0.2738 110.7700 107.6600 110.7700 7 0.1689 2.5926 3.9177 111.2700 108.7280 110.7700 8 2.4259 2.1283 2.4259 108.7280 107.6600 108.7280 9 -0.8330 -0.8330 -3.5744 112.6700 111.2700 111.2700 10 0.1689 2.5926 3.9177 111.2700 108.7280 110.7700 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 0.2738 -0.4825 0.2738 110.7700 107.6600 110.7700 14 2.4259 2.1283 2.4259 108.7280 107.6600 108.7280 15 0.0000 0.0000 0.0000 108.4000 112.6700 108.4000 16 0.0000 0.0000 0.0000 111.0000 108.4000 108.4000 17 0.2738 -0.4825 0.2738 110.7700 107.6600 110.7700 18 -0.3157 -0.3157 -0.3157 107.6600 107.6600 107.6600 19 2.4286 0.5381 -2.5301 110.7700 110.6204 111.9100 20 2.4321 2.4321 -3.5496 107.6600 110.6204 110.6204 21 0.2738 -0.4825 0.2738 110.7700 107.6600 110.7700 22 0.0000 0.0000 0.0000 112.4436 112.4436 112.4436 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 -20.2006 111.2700 110.7700 7 0.0000 108.7280 102.9695 8 0.0000 111.2700 102.9695 9 -19.0059 111.2700 104.5000 10 -16.4438 108.7280 104.5000 11 -29.0420 112.6700 111.2700 12 -16.1640 112.6700 110.7700 13 -20.2006 111.2700 110.7700 14 -12.5640 110.7700 110.7700 15 0.0000 118.9000 118.9000 16 -4.8141 118.9000 117.9400 17 -21.0247 118.9000 123.4200 18 4.2296 123.4200 117.9400 19 0.0000 123.4200 102.9695 20 0.3598 117.9400 117.9400 21 -14.4097 118.9000 120.0500 22 4.4444 120.0500 117.9400 23 0.0000 120.0500 108.4000 24 0.0000 120.0500 111.0000 25 0.0000 108.4000 110.7700 26 -16.1640 112.6700 110.7700 27 -24.3818 111.9100 112.4436 28 -12.5567 110.6204 112.4436 29 -7.5499 111.9100 110.9538 30 -10.4258 110.6204 110.9538 31 -11.2307 111.9100 111.9100 32 -15.7572 110.7700 111.9100 33 -12.5640 110.7700 110.7700 34 -29.0420 112.6700 111.2700 35 -16.1640 112.6700 110.7700 36 -14.0484 111.2700 111.2700 37 -20.2006 111.2700 110.7700 38 -20.2006 110.7700 111.2700 39 -12.5640 110.7700 110.7700 40 -16.1640 110.7700 112.6700 41 -12.5640 110.7700 110.7700 42 -20.2006 110.7700 111.2700 43 -27.3953 111.9100 112.6700 44 -15.7572 111.9100 110.7700 45 0.0000 111.9100 111.2700 46 -24.3818 111.9100 112.4436 47 -7.5499 111.9100 110.9538 48 -29.0420 111.2700 112.6700 49 -20.2006 111.2700 110.7700 50 -14.0484 111.2700 111.2700 51 0.0000 111.2700 102.9695 52 -12.1038 111.2700 105.8000 53 -10.5093 108.7280 105.8000 54 -20.2006 110.7700 111.2700 55 -16.1640 110.7700 112.6700 56 -20.2006 110.7700 111.2700 57 -27.3953 111.9100 112.6700 58 -15.7572 111.9100 110.7700 59 0.0000 111.9100 111.2700 60 -24.3818 111.9100 112.4436 61 -29.0420 111.2700 112.6700 62 -14.0484 111.2700 111.2700 63 -12.1038 111.2700 105.8000 64 -10.5093 108.7280 105.8000 65 -12.1038 105.8000 111.2700 66 -10.5093 105.8000 108.7280 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 0.5903 0.6669 0.8584 0.9681 0.9551 0.0436 1.4200 1.1010 7 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1010 1.3768 8 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5300 1.3768 9 -0.2456 1.0517 -0.7795 0.4741 1.2635 0.5576 1.5300 1.4200 10 -0.6054 1.3339 0.9648 -0.1620 0.1564 -1.1408 1.1010 1.4200 11 -0.3190 0.4411 -0.7174 1.1538 0.8409 -0.9138 1.5300 1.4200 12 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219 1.5300 1.1010 13 0.5903 0.6669 0.8584 0.9681 0.9551 0.0436 1.4200 1.1010 14 0.2130 0.3120 0.0777 0.2130 0.3120 0.0777 1.1010 1.1010 15 -0.1185 6.3204 0.0000 -0.1185 6.3204 0.0000 1.4170 1.4170 16 0.0000 -6.8958 0.0000 0.0000 -0.4669 0.0000 1.4170 1.0982 17 0.0000 0.2655 0.0000 0.0000 4.8905 0.0000 1.4170 1.3768 18 0.0000 4.2641 0.0000 0.0000 -1.5867 0.0000 1.3768 1.0982 19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4170 1.4200 20 0.0000 -0.6890 0.0000 0.0000 -0.6890 0.0000 1.0982 1.0982 21 0.0000 -0.6918 0.0000 0.0000 0.2421 0.0000 1.4170 1.5010 22 0.0000 -1.7970 0.0000 0.0000 -0.4879 0.0000 1.5010 1.0982 23 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4170 1.5300 24 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4170 1.5010 25 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5010 1.1010 26 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219 1.5300 1.1010 27 0.0997 -0.0046 -0.2657 -0.0128 -0.0495 -0.1079 1.5300 1.4570 28 -0.5892 0.7140 0.3505 0.0628 0.0873 -0.0882 1.1010 1.4570 29 -0.9466 0.9356 -0.5542 0.0570 0.0625 0.4112 1.5300 1.0060 30 -1.1685 0.9266 -0.0993 0.0850 0.3061 0.2104 1.1010 1.0060 31 0.0286 0.0566 -0.0493 0.0286 0.0566 -0.0493 1.4570 1.4570 32 0.1960 0.7056 0.1120 0.1022 0.2090 0.6433 1.1010 1.4570 33 0.2130 0.3120 0.0777 0.2130 0.3120 0.0777 1.1010 1.1010 34 -0.3190 0.4411 -0.7174 1.1538 0.8409 -0.9138 1.5300 1.4200 35 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219 1.5300 1.1010 36 1.0165 0.7553 -0.4609 1.0165 0.7553 -0.4609 1.4200 1.4200 37 0.5903 0.6669 0.8584 0.9681 0.9551 0.0436 1.4200 1.1010 38 0.9681 0.9551 0.0436 0.5903 0.6669 0.8584 1.1010 1.4200 39 0.2130 0.3120 0.0777 0.2130 0.3120 0.0777 1.1010 1.1010 40 0.0814 0.0591 0.2219 0.2486 0.2422 -0.0925 1.1010 1.5300 41 0.2130 0.3120 0.0777 0.2130 0.3120 0.0777 1.1010 1.1010 42 0.9681 0.9551 0.0436 0.5903 0.6669 0.8584 1.1010 1.4200 43 0.0579 -0.0043 -0.1906 0.1032 0.5896 -0.4836 1.4570 1.5300 44 0.1022 0.2090 0.6433 0.1960 0.7056 0.1120 1.4570 1.1010 45 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4570 1.4200 46 0.0997 -0.0046 -0.2657 -0.0128 -0.0495 -0.1079 1.5300 1.4570 47 -0.9466 0.9356 -0.5542 0.0570 0.0625 0.4112 1.5300 1.0060 48 1.1538 0.8409 -0.9138 -0.3190 0.4411 -0.7174 1.4200 1.5300 49 0.5903 0.6669 0.8584 0.9681 0.9551 0.0436 1.4200 1.1010 50 1.0165 0.7553 -0.4609 1.0165 0.7553 -0.4609 1.4200 1.4200 51 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5300 1.3768 52 -0.5800 0.9004 0.0000 0.0000 0.5343 0.9025 1.5300 0.9650 53 -1.7554 1.3145 0.2263 0.2493 0.6803 0.0000 1.1010 0.9650 54 0.9681 0.9551 0.0436 0.5903 0.6669 0.8584 1.1010 1.4200 55 0.0814 0.0591 0.2219 0.2486 0.2422 -0.0925 1.1010 1.5300 56 0.9681 0.9551 0.0436 0.5903 0.6669 0.8584 1.1010 1.4200 57 0.0579 -0.0043 -0.1906 0.1032 0.5896 -0.4836 1.4570 1.5300 58 0.1022 0.2090 0.6433 0.1960 0.7056 0.1120 1.4570 1.1010 59 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4570 1.4200 60 0.0997 -0.0046 -0.2657 -0.0128 -0.0495 -0.1079 1.5300 1.4570 61 1.1538 0.8409 -0.9138 -0.3190 0.4411 -0.7174 1.4200 1.5300 62 1.0165 0.7553 -0.4609 1.0165 0.7553 -0.4609 1.4200 1.4200 63 -0.5800 0.9004 0.0000 0.0000 0.5343 0.9025 1.5300 0.9650 64 -1.7554 1.3145 0.2263 0.2493 0.6803 0.0000 1.1010 0.9650 65 0.0000 0.5343 0.9025 -0.5800 0.9004 0.0000 0.9650 1.5300 66 0.2493 0.6803 0.0000 -1.7554 1.3145 0.2263 0.9650 1.1010 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 -16.7975 -1.2296 -0.2750 1.5300 7 0.0000 0.0000 0.0000 1.4200 8 0.0000 0.0000 0.0000 1.4200 9 -5.9288 -2.7007 -0.3175 1.4200 10 -6.8007 -4.6546 -1.4101 1.4200 11 -21.8842 -7.6764 -0.6868 1.5300 12 -14.8790 -3.6581 -0.3138 1.5300 13 -16.7975 -1.2296 -0.2750 1.5300 14 -14.2610 -0.5322 -0.4864 1.5300 15 27.5989 -2.3120 0.0000 1.4170 16 0.0000 -1.1521 0.0000 1.4170 17 0.0000 4.8255 0.0000 1.4170 18 0.0000 5.5432 0.0000 1.4170 19 0.0000 0.0000 0.0000 1.3768 20 0.0000 4.8228 0.0000 1.4170 21 0.0000 9.1792 0.0000 1.4170 22 0.0000 3.9421 0.0000 1.4170 23 0.0000 0.0000 0.0000 1.5010 24 0.0000 0.0000 0.0000 1.5010 25 0.0000 0.0000 0.0000 1.5300 26 -14.8790 -3.6581 -0.3138 1.5300 27 -8.0036 -7.7321 -3.0640 1.4570 28 -6.4529 -6.8122 -1.1632 1.4570 29 -2.2208 0.5479 -0.3527 1.4570 30 -3.4611 1.6996 -0.6007 1.4570 31 -3.3497 1.0143 -3.0062 1.5300 32 -10.4959 -0.7647 -0.0545 1.5300 33 -14.2610 -0.5322 -0.4864 1.5300 34 -21.8842 -7.6764 -0.6868 1.5300 35 -14.8790 -3.6581 -0.3138 1.5300 36 -17.2585 -3.6157 -0.8364 1.5300 37 -16.7975 -1.2296 -0.2750 1.5300 38 -16.7975 -1.2296 -0.2750 1.5300 39 -14.2610 -0.5322 -0.4864 1.5300 40 -14.8790 -3.6581 -0.3138 1.5300 41 -14.2610 -0.5322 -0.4864 1.5300 42 -16.7975 -1.2296 -0.2750 1.5300 43 -15.4174 -7.3055 -1.0749 1.5300 44 -10.4959 -0.7647 -0.0545 1.5300 45 0.0000 0.0000 0.0000 1.5300 46 -8.0036 -7.7321 -3.0640 1.4570 47 -2.2208 0.5479 -0.3527 1.4570 48 -21.8842 -7.6764 -0.6868 1.5300 49 -16.7975 -1.2296 -0.2750 1.5300 50 -17.2585 -3.6157 -0.8364 1.5300 51 0.0000 0.0000 0.0000 1.4200 52 1.2472 0.0000 0.7485 1.4200 53 0.0000 0.9241 -0.5889 1.4200 54 -16.7975 -1.2296 -0.2750 1.5300 55 -14.8790 -3.6581 -0.3138 1.5300 56 -16.7975 -1.2296 -0.2750 1.5300 57 -15.4174 -7.3055 -1.0749 1.5300 58 -10.4959 -0.7647 -0.0545 1.5300 59 0.0000 0.0000 0.0000 1.5300 60 -8.0036 -7.7321 -3.0640 1.4570 61 -21.8842 -7.6764 -0.6868 1.5300 62 -17.2585 -3.6157 -0.8364 1.5300 63 1.2472 0.0000 0.7485 1.4200 64 0.0000 0.9241 -0.5889 1.4200 65 1.2472 0.0000 0.7485 1.4200 66 0.0000 0.9241 -0.5889 1.4200 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 1.4200 1.1010 7 0.0000 1.1010 1.3768 8 0.0000 1.5300 1.3768 9 0.0000 1.5300 1.4200 10 0.0000 1.1010 1.4200 11 0.0000 1.5300 1.4200 12 0.0000 1.5300 1.1010 13 0.0000 1.4200 1.1010 14 0.0000 1.1010 1.1010 15 53.0000 1.4170 1.4170 16 -6.2741 1.4170 1.0982 17 -2.2436 1.4170 1.3768 18 2.0517 1.3768 1.0982 19 0.0000 1.4170 1.4200 20 -1.7077 1.0982 1.0982 21 2.5085 1.4170 1.5010 22 0.8743 1.5010 1.0982 23 0.0000 1.4170 1.5300 24 0.0000 1.4170 1.5010 25 0.0000 1.5010 1.1010 26 0.0000 1.5300 1.1010 27 0.0000 1.5300 1.4570 28 0.0000 1.1010 1.4570 29 0.0000 1.5300 1.0060 30 0.0000 1.1010 1.0060 31 0.0000 1.4570 1.4570 32 0.0000 1.1010 1.4570 33 0.0000 1.1010 1.1010 34 0.0000 1.5300 1.4200 35 0.0000 1.5300 1.1010 36 0.0000 1.4200 1.4200 37 0.0000 1.4200 1.1010 38 0.0000 1.1010 1.4200 39 0.0000 1.1010 1.1010 40 0.0000 1.1010 1.5300 41 0.0000 1.1010 1.1010 42 0.0000 1.1010 1.4200 43 0.0000 1.4570 1.5300 44 0.0000 1.4570 1.1010 45 0.0000 1.4570 1.4200 46 0.0000 1.5300 1.4570 47 0.0000 1.5300 1.0060 48 0.0000 1.4200 1.5300 49 0.0000 1.4200 1.1010 50 0.0000 1.4200 1.4200 51 0.0000 1.5300 1.3768 52 0.0000 1.5300 0.9650 53 0.0000 1.1010 0.9650 54 0.0000 1.1010 1.4200 55 0.0000 1.1010 1.5300 56 0.0000 1.1010 1.4200 57 0.0000 1.4570 1.5300 58 0.0000 1.4570 1.1010 59 0.0000 1.4570 1.4200 60 0.0000 1.5300 1.4570 61 0.0000 1.4200 1.5300 62 0.0000 1.4200 1.4200 63 0.0000 1.5300 0.9650 64 0.0000 1.1010 0.9650 65 0.0000 0.9650 1.5300 66 0.0000 0.9650 1.1010 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 -0.1892 0.4918 0.7273 2.3668 2.4920 -1.0122 111.2700 110.7700 7 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 108.7280 102.9695 8 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 111.2700 102.9695 9 -2.7466 1.4877 -0.8955 0.5676 0.9450 0.0703 111.2700 104.5000 10 -1.8234 1.6393 0.5144 -0.7777 0.4340 -0.6653 108.7280 104.5000 11 0.5623 -0.3041 -0.4015 0.9672 -0.7566 -1.2331 112.6700 111.2700 12 -0.2454 0.0000 -0.1136 0.3113 0.4516 -0.1988 112.6700 110.7700 13 -0.1892 0.4918 0.7273 2.3668 2.4920 -1.0122 111.2700 110.7700 14 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.7700 110.7700 15 1.9767 1.0239 0.0000 1.9767 1.0239 0.0000 118.9000 118.9000 16 0.0000 2.5014 0.0000 0.0000 2.7147 0.0000 118.9000 117.9400 17 0.0000 10.0155 0.0000 0.0000 1.7404 0.0000 118.9000 123.4200 18 0.0000 2.5706 0.0000 0.0000 1.8729 0.0000 123.4200 117.9400 19 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 123.4200 102.9695 20 0.0000 2.4501 0.0000 0.0000 2.4501 0.0000 117.9400 117.9400 21 0.0000 3.8987 0.0000 0.0000 -4.4683 0.0000 118.9000 120.0500 22 0.0000 -0.1242 0.0000 0.0000 3.4601 0.0000 120.0500 117.9400 23 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 120.0500 108.4000 24 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 120.0500 111.0000 25 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 108.4000 110.7700 26 -0.2454 0.0000 -0.1136 0.3113 0.4516 -0.1988 112.6700 110.7700 27 -2.7883 1.5193 1.4796 1.2031 1.3645 -0.7071 111.9100 112.4436 28 -2.6321 0.9353 -0.8398 -1.3582 0.1465 -0.5729 110.6204 112.4436 29 -3.3430 4.4558 -0.0346 0.2873 -0.8072 -0.0960 111.9100 110.9538 30 -3.9582 2.0063 0.3213 -0.4294 -0.4442 -0.6141 110.6204 110.9538 31 1.3673 0.4528 -2.7700 1.3673 0.4528 -2.7700 111.9100 111.9100 32 0.5111 1.6328 -1.0155 -1.1075 0.2820 0.8318 110.7700 111.9100 33 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.7700 110.7700 34 0.5623 -0.3041 -0.4015 0.9672 -0.7566 -1.2331 112.6700 111.2700 35 -0.2454 0.0000 -0.1136 0.3113 0.4516 -0.1988 112.6700 110.7700 36 0.5511 0.9737 -0.6673 0.5511 0.9737 -0.6673 111.2700 111.2700 37 -0.1892 0.4918 0.7273 2.3668 2.4920 -1.0122 111.2700 110.7700 38 2.3668 2.4920 -1.0122 -0.1892 0.4918 0.7273 110.7700 111.2700 39 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.7700 110.7700 40 0.3113 0.4516 -0.1988 -0.2454 0.0000 -0.1136 110.7700 112.6700 41 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.7700 110.7700 42 2.3668 2.4920 -1.0122 -0.1892 0.4918 0.7273 110.7700 111.2700 43 2.0125 0.9440 -2.7612 -1.9225 -1.3450 0.2210 111.9100 112.6700 44 -1.1075 0.2820 0.8318 0.5111 1.6328 -1.0155 111.9100 110.7700 45 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 111.9100 111.2700 46 -2.7883 1.5193 1.4796 1.2031 1.3645 -0.7071 111.9100 112.4436 47 -3.3430 4.4558 -0.0346 0.2873 -0.8072 -0.0960 111.9100 110.9538 48 0.9672 -0.7566 -1.2331 0.5623 -0.3041 -0.4015 111.2700 112.6700 49 -0.1892 0.4918 0.7273 2.3668 2.4920 -1.0122 111.2700 110.7700 50 0.5511 0.9737 -0.6673 0.5511 0.9737 -0.6673 111.2700 111.2700 51 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 111.2700 102.9695 52 -3.5903 2.5225 0.4888 0.8726 -0.3577 0.3888 111.2700 105.8000 53 -3.4060 1.6396 0.0737 0.0000 -0.2810 -0.5944 108.7280 105.8000 54 2.3668 2.4920 -1.0122 -0.1892 0.4918 0.7273 110.7700 111.2700 55 0.3113 0.4516 -0.1988 -0.2454 0.0000 -0.1136 110.7700 112.6700 56 2.3668 2.4920 -1.0122 -0.1892 0.4918 0.7273 110.7700 111.2700 57 2.0125 0.9440 -2.7612 -1.9225 -1.3450 0.2210 111.9100 112.6700 58 -1.1075 0.2820 0.8318 0.5111 1.6328 -1.0155 111.9100 110.7700 59 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 111.9100 111.2700 60 -2.7883 1.5193 1.4796 1.2031 1.3645 -0.7071 111.9100 112.4436 61 0.9672 -0.7566 -1.2331 0.5623 -0.3041 -0.4015 111.2700 112.6700 62 0.5511 0.9737 -0.6673 0.5511 0.9737 -0.6673 111.2700 111.2700 63 -3.5903 2.5225 0.4888 0.8726 -0.3577 0.3888 111.2700 105.8000 64 -3.4060 1.6396 0.0737 0.0000 -0.2810 -0.5944 108.7280 105.8000 65 0.8726 -0.3577 0.3888 -3.5903 2.5225 0.4888 105.8000 111.2700 66 0.0000 -0.2810 -0.5944 -3.4060 1.6396 0.0737 105.8000 108.7280 Atoms # full 1 1 1 0.000000 25.246496201 -1.871744037 -8.651348114 0 0 0 # c2 2 1 2 0.000000 25.610639572 -3.288228035 -8.165973663 0 0 0 # c3m 3 1 2 0.000000 24.731319427 -4.483242989 -8.675741196 0 0 0 # c3m 4 1 2 0.000000 18.703355789 9.118826866 -4.174236774 0 0 0 # c3m 5 1 2 0.000000 18.099748611 8.263649940 -5.343001842 0 0 0 # c3m 6 1 1 0.000000 19.081827164 7.609607220 -6.334177017 0 0 0 # c2 7 1 3 0.100000 26.190139771 -4.295329094 -9.220970154 0 0 0 # o3e 8 1 3 0.100000 17.971729279 9.827675819 -5.367077827 0 0 0 # o3e 9 1 4 0.000000 20.263877869 5.733595848 -6.736782074 0 0 0 # cp 10 1 4 0.000000 19.777191162 4.983679771 -7.809411049 0 0 0 # cp 11 1 4 0.000000 20.667026520 4.390971184 -8.707633972 0 0 0 # cp 12 1 4 0.000000 22.043539047 4.548151016 -8.533248901 0 0 0 # cp 13 1 4 0.000000 22.530214310 5.298062801 -7.460619926 0 0 0 # cp 14 1 4 0.000000 21.640394211 5.890783787 -6.562390804 0 0 0 # cp 15 1 5 0.000000 23.005182266 3.906831026 -9.503917694 0 0 0 # c 16 1 6 0.000000 24.286390305 4.758069992 -9.590908051 0 0 0 # c3 17 1 6 0.000000 22.342786789 3.812531948 -10.891778946 0 0 0 # c3 18 1 4 0.000000 23.361906052 2.519830942 -9.029184341 0 0 0 # cp 19 1 4 0.000000 24.458705902 2.330889940 -8.185920715 0 0 0 # cp 20 1 4 0.000000 24.788816452 1.047963977 -7.745534897 0 0 0 # cp 21 1 4 0.000000 24.022008896 -0.046867002 -8.149927139 0 0 0 # cp 22 1 4 0.000000 22.925630569 0.140873000 -8.992565155 0 0 0 # cp 23 1 4 0.000000 22.595729828 1.424777985 -9.432847977 0 0 0 # cp 24 1 7 0.000000 19.414030075 6.299984932 -5.878956795 0 0 0 # oc 25 1 7 0.000000 24.338140488 -1.273216963 -7.729548931 0 0 0 # oc 26 1 8 0.000000 26.150024414 -1.266484976 -8.715751648 0 0 0 # hc 27 1 8 0.000000 24.778566360 -1.933199048 -9.633987427 0 0 0 # hc 28 1 8 0.000000 25.929294586 -2.927781105 -7.187973022 0 0 0 # hc 29 1 8 0.000000 24.549385071 -5.308847904 -7.987242222 0 0 0 # hc 30 1 8 0.000000 23.904827118 -4.254271030 -9.348136902 0 0 0 # hc 31 1 8 0.000000 18.194736481 9.091637611 -3.210949898 0 0 0 # hc 32 1 8 0.000000 19.788938522 9.208558083 -4.119643211 0 0 0 # hc 33 1 8 0.000000 17.399309158 7.432216167 -5.407801151 0 0 0 # hc 34 1 8 0.000000 18.616250992 7.545570850 -7.316913128 0 0 0 # hc 35 1 8 0.000000 19.987047195 8.212498665 -6.399401188 0 0 0 # hc 36 1 8 0.000000 18.713207245 4.862418175 -7.944396973 0 0 0 # hc 37 1 8 0.000000 20.290582657 3.811013937 -9.537291527 0 0 0 # hc 38 1 8 0.000000 23.594188690 5.419342995 -7.325634956 0 0 0 # hc 39 1 8 0.000000 22.016828537 6.470753193 -5.732734203 0 0 0 # hc 40 1 8 0.000000 24.982324600 4.297049999 -10.290958405 0 0 0 # hc 41 1 8 0.000000 24.034254074 5.760886192 -9.936174393 0 0 0 # hc 42 1 8 0.000000 24.749143600 4.819462776 -8.606439590 0 0 0 # hc 43 1 8 0.000000 23.034755707 3.349560976 -11.594371796 0 0 0 # hc 44 1 8 0.000000 21.438467026 3.207982063 -10.822364807 0 0 0 # hc 45 1 8 0.000000 22.084871292 4.811752796 -11.239845276 0 0 0 # hc 46 1 8 0.000000 25.050769806 3.177418947 -7.873311996 0 0 0 # hc 47 1 8 0.000000 25.636974335 0.901705027 -7.093626022 0 0 0 # hc 48 1 8 0.000000 22.333581924 -0.705653012 -9.305183411 0 0 0 # hc 49 1 8 0.000000 21.747369766 1.570054054 -10.084861755 0 0 0 # hc 50 1 1 0.000000 25.222612381 -4.200571060 0.463562995 0 0 0 # c2 51 1 2 0.000000 25.832977295 -5.360119820 -0.347983003 0 0 0 # c3m 52 1 2 0.000000 27.389345169 -5.551681042 -0.290704012 0 0 0 # c3m 53 1 2 0.000000 20.635538101 8.396902084 -1.535487056 0 0 0 # c3m 54 1 2 0.000000 21.957460403 8.158697128 -0.723941982 0 0 0 # c3m 55 1 1 0.000000 22.041673660 6.895174980 0.154822007 0 0 0 # c2 56 1 3 0.100000 26.447082520 -6.565405846 0.448491007 0 0 0 # o3e 57 1 3 0.100000 20.959102631 9.287891388 -0.285212994 0 0 0 # o3e 58 1 4 0.000000 22.680345535 4.733430862 0.158248007 0 0 0 # cp 59 1 4 0.000000 23.824728012 4.488029957 0.920358002 0 0 0 # cp 60 1 4 0.000000 23.901163101 3.343113899 1.716701984 0 0 0 # cp 61 1 4 0.000000 22.833225250 2.443607092 1.750934958 0 0 0 # cp 62 1 4 0.000000 21.688846588 2.689002037 0.988831997 0 0 0 # cp 63 1 4 0.000000 21.612403870 3.833913088 0.192488998 0 0 0 # cp 64 1 5 0.000000 22.916360855 1.205785036 2.611289978 0 0 0 # c 65 1 6 0.000000 21.501018524 0.810333014 3.075165987 0 0 0 # c3 66 1 6 0.000000 23.808341980 1.493147969 3.834667921 0 0 0 # c3 67 1 4 0.000000 23.514062881 0.070205003 1.817157984 0 0 0 # cp 68 1 4 0.000000 22.684833527 -0.782863975 1.085504055 0 0 0 # cp 69 1 4 0.000000 23.237234116 -1.833225965 0.349765003 0 0 0 # cp 70 1 4 0.000000 24.619955063 -2.031138897 0.346872985 0 0 0 # cp 71 1 4 0.000000 25.449554443 -1.179108977 1.077638030 0 0 0 # cp 72 1 4 0.000000 24.896312714 -0.128257006 1.813575983 0 0 0 # cp 73 1 7 0.000000 22.607131958 5.827101231 -0.602173984 0 0 0 # oc 74 1 7 0.000000 25.147769928 -3.035661936 -0.355791986 0 0 0 # oc 75 1 8 0.000000 24.221906662 -4.476489067 0.794990003 0 0 0 # hc 76 1 8 0.000000 25.849754333 -3.994390965 1.331357956 0 0 0 # hc 77 1 8 0.000000 25.097463608 -5.257826805 -1.146129966 0 0 0 # hc 78 1 8 0.000000 27.892013550 -5.893630028 -1.196079969 0 0 0 # hc 79 1 8 0.000000 27.964216232 -4.855231762 0.319745004 0 0 0 # hc 80 1 8 0.000000 20.720872879 8.854673386 -2.520912886 0 0 0 # hc 81 1 8 0.000000 19.840383530 7.656352043 -1.438712001 0 0 0 # hc 82 1 8 0.000000 23.017726898 8.120765686 -0.970986009 0 0 0 # hc 83 1 8 0.000000 22.669095993 7.097908974 1.022259951 0 0 0 # hc 84 1 8 0.000000 21.041725159 6.616360188 0.486577004 0 0 0 # hc 85 1 8 0.000000 24.650087357 5.183434963 0.894133985 0 0 0 # hc 86 1 8 0.000000 24.786277771 3.153367996 2.306194067 0 0 0 # hc 87 1 8 0.000000 20.863473892 1.993592978 1.015051961 0 0 0 # hc 88 1 8 0.000000 20.727291107 4.023673058 -0.397009999 0 0 0 # hc 89 1 8 0.000000 21.558345795 -0.083162002 3.696341038 0 0 0 # hc 90 1 8 0.000000 21.065618515 1.626867056 3.651936054 0 0 0 # hc 91 1 8 0.000000 20.876825333 0.608124971 2.205033064 0 0 0 # hc 92 1 8 0.000000 23.870355606 0.601037025 4.457283974 0 0 0 # hc 93 1 8 0.000000 24.807676315 1.770614982 3.498578072 0 0 0 # hc 94 1 8 0.000000 23.380037308 2.311306953 4.412462234 0 0 0 # hc 95 1 8 0.000000 21.616291046 -0.629218996 1.087699056 0 0 0 # hc 96 1 8 0.000000 22.596149445 -2.493021011 -0.215893999 0 0 0 # hc 97 1 8 0.000000 26.518102646 -1.332759023 1.075448036 0 0 0 # hc 98 1 8 0.000000 25.538236618 0.531040013 2.379035950 0 0 0 # hc 99 1 9 0.000000 16.072591782 12.338866234 -0.174325004 0 0 0 # na 100 1 1 0.000000 16.557256699 11.130316734 0.587288976 0 0 0 # c2 101 1 1 0.000000 18.074571609 10.998808861 0.366084993 0 0 0 # c2 102 1 9 -0.025000 18.353967667 10.832372665 -1.107717037 0 0 0 # na 103 1 9 -0.025000 14.920715332 15.017822266 -0.200534001 0 0 0 # na 104 1 1 0.000000 16.390434265 14.791102409 -0.460442007 0 0 0 # c2 105 1 1 0.000000 16.852983475 13.538317680 0.304865986 0 0 0 # c2 106 1 10 0.000000 16.263746262 12.190562248 -1.257431984 0 0 0 # hn 107 1 8 0.000000 16.025363922 10.195071220 0.210473999 0 0 0 # hc 108 1 8 0.000000 16.347120285 11.269214630 1.698830962 0 0 0 # hc 109 1 8 0.000000 18.467184067 10.092565536 0.934801996 0 0 0 # hc 110 1 8 0.000000 18.592388153 11.941304207 0.744638979 0 0 0 # hc 111 1 10 0.000000 17.843862534 9.919928551 -1.479779005 0 0 0 # hn 112 1 10 0.000000 19.448190689 10.736482620 -1.267521024 0 0 0 # hn 113 1 10 0.000000 14.344121933 14.136246681 -0.550131977 0 0 0 # hn 114 1 10 0.000000 14.583471298 15.922760963 -0.747138977 0 0 0 # hn 115 1 8 0.000000 16.984062195 15.696007729 -0.102596000 0 0 0 # hc 116 1 8 0.000000 16.562423706 14.639820099 -1.577000022 0 0 0 # hc 117 1 8 0.000000 16.674821854 13.685671806 1.420761943 0 0 0 # hc 118 1 8 0.000000 17.963953018 13.362975121 0.117853999 0 0 0 # hc Bonds 1 1 1 26 2 2 1 2 3 1 1 27 4 3 1 25 5 4 2 7 6 5 2 3 7 6 2 28 8 4 3 7 9 6 3 29 10 6 3 30 11 6 4 32 12 4 4 8 13 5 4 5 14 6 4 31 15 4 5 8 16 2 6 5 17 6 5 33 18 3 6 24 19 1 6 34 20 1 6 35 21 7 9 14 22 7 9 10 23 8 9 24 24 7 10 11 25 9 10 36 26 7 11 12 27 9 11 37 28 7 12 13 29 10 12 15 30 7 13 14 31 9 13 38 32 9 14 39 33 11 15 16 34 11 15 17 35 10 18 15 36 12 16 40 37 12 16 41 38 12 16 42 39 12 17 43 40 12 17 44 41 12 17 45 42 7 18 23 43 7 18 19 44 7 19 20 45 9 19 46 46 7 20 21 47 9 20 47 48 7 21 22 49 8 21 25 50 7 22 23 51 9 22 48 52 9 23 49 53 1 50 75 54 2 50 51 55 1 50 76 56 3 50 74 57 4 51 56 58 5 51 52 59 6 51 77 60 4 52 56 61 6 52 78 62 6 52 79 63 6 53 81 64 4 53 57 65 5 53 54 66 6 53 80 67 4 54 57 68 2 55 54 69 6 54 82 70 3 55 73 71 1 55 83 72 1 55 84 73 7 58 63 74 7 58 59 75 8 58 73 76 7 59 60 77 9 59 85 78 7 60 61 79 9 60 86 80 7 61 62 81 10 61 64 82 7 62 63 83 9 62 87 84 9 63 88 85 11 64 65 86 11 64 66 87 10 67 64 88 12 65 89 89 12 65 90 90 12 65 91 91 12 66 92 92 12 66 93 93 12 66 94 94 7 67 72 95 7 67 68 96 7 68 69 97 9 68 95 98 7 69 70 99 9 69 96 100 7 70 71 101 8 70 74 102 7 71 72 103 9 71 97 104 9 72 98 105 13 100 99 106 13 105 99 107 14 99 106 108 15 100 101 109 1 100 107 110 1 100 108 111 13 101 102 112 1 101 109 113 1 101 110 114 14 102 111 115 14 102 112 116 13 104 103 117 14 103 113 118 14 103 114 119 15 104 105 120 1 104 115 121 1 104 116 122 1 105 117 123 1 105 118 Angles 1 1 2 1 26 2 2 26 1 27 3 3 25 1 26 4 1 2 1 27 5 4 2 1 25 6 3 25 1 27 7 5 1 2 7 8 6 1 2 3 9 7 1 2 28 10 8 3 2 7 11 9 7 2 28 12 10 3 2 28 13 8 2 3 7 14 10 2 3 29 15 10 2 3 30 16 9 7 3 29 17 9 7 3 30 18 11 29 3 30 19 9 8 4 32 20 10 5 4 32 21 11 32 4 31 22 8 5 4 8 23 9 8 4 31 24 10 5 4 31 25 8 4 5 8 26 6 6 5 4 27 10 4 5 33 28 5 6 5 8 29 9 8 5 33 30 7 6 5 33 31 4 5 6 24 32 1 5 6 34 33 1 5 6 35 34 3 24 6 34 35 3 24 6 35 36 2 34 6 35 37 12 2 7 3 38 12 4 8 5 39 13 14 9 10 40 14 14 9 24 41 14 10 9 24 42 13 9 10 11 43 15 9 10 36 44 15 11 10 36 45 13 10 11 12 46 15 10 11 37 47 15 12 11 37 48 13 11 12 13 49 16 11 12 15 50 16 13 12 15 51 13 12 13 14 52 15 12 13 38 53 15 14 13 38 54 13 9 14 13 55 15 9 14 39 56 15 13 14 39 57 17 12 15 16 58 17 12 15 17 59 18 12 15 18 60 19 16 15 17 61 17 18 15 16 62 17 18 15 17 63 20 15 16 40 64 20 15 16 41 65 20 15 16 42 66 21 40 16 41 67 21 40 16 42 68 21 41 16 42 69 20 15 17 43 70 20 15 17 44 71 20 15 17 45 72 21 43 17 44 73 21 43 17 45 74 21 44 17 45 75 16 23 18 15 76 16 19 18 15 77 13 23 18 19 78 13 18 19 20 79 15 18 19 46 80 15 20 19 46 81 13 19 20 21 82 15 19 20 47 83 15 21 20 47 84 13 20 21 22 85 14 20 21 25 86 14 22 21 25 87 13 21 22 23 88 15 21 22 48 89 15 23 22 48 90 13 18 23 22 91 15 18 23 49 92 15 22 23 49 93 22 6 24 9 94 22 1 25 21 95 1 51 50 75 96 2 75 50 76 97 3 74 50 75 98 1 51 50 76 99 4 51 50 74 100 3 74 50 76 101 5 50 51 56 102 6 50 51 52 103 7 50 51 77 104 8 52 51 56 105 9 56 51 77 106 10 52 51 77 107 8 51 52 56 108 10 51 52 78 109 10 51 52 79 110 9 56 52 78 111 9 56 52 79 112 11 78 52 79 113 9 57 53 81 114 10 54 53 81 115 11 81 53 80 116 8 54 53 57 117 9 57 53 80 118 10 54 53 80 119 8 53 54 57 120 6 55 54 53 121 10 53 54 82 122 5 55 54 57 123 9 57 54 82 124 7 55 54 82 125 4 54 55 73 126 1 54 55 83 127 1 54 55 84 128 3 73 55 83 129 3 73 55 84 130 2 83 55 84 131 12 51 56 52 132 12 53 57 54 133 13 63 58 59 134 14 63 58 73 135 14 59 58 73 136 13 58 59 60 137 15 58 59 85 138 15 60 59 85 139 13 59 60 61 140 15 59 60 86 141 15 61 60 86 142 13 60 61 62 143 16 60 61 64 144 16 62 61 64 145 13 61 62 63 146 15 61 62 87 147 15 63 62 87 148 13 58 63 62 149 15 58 63 88 150 15 62 63 88 151 17 61 64 65 152 17 61 64 66 153 18 61 64 67 154 19 65 64 66 155 17 67 64 65 156 17 67 64 66 157 20 64 65 89 158 20 64 65 90 159 20 64 65 91 160 21 89 65 90 161 21 89 65 91 162 21 90 65 91 163 20 64 66 92 164 20 64 66 93 165 20 64 66 94 166 21 92 66 93 167 21 92 66 94 168 21 93 66 94 169 16 72 67 64 170 16 68 67 64 171 13 72 67 68 172 13 67 68 69 173 15 67 68 95 174 15 69 68 95 175 13 68 69 70 176 15 68 69 96 177 15 70 69 96 178 13 69 70 71 179 14 69 70 74 180 14 71 70 74 181 13 70 71 72 182 15 70 71 97 183 15 72 71 97 184 13 67 72 71 185 15 67 72 98 186 15 71 72 98 187 22 55 73 58 188 22 50 74 70 189 23 100 99 105 190 24 100 99 106 191 24 105 99 106 192 25 101 100 99 193 26 107 100 99 194 26 108 100 99 195 27 101 100 107 196 27 101 100 108 197 2 107 100 108 198 25 100 101 102 199 27 100 101 109 200 27 100 101 110 201 26 109 101 102 202 26 110 101 102 203 2 109 101 110 204 24 101 102 111 205 24 101 102 112 206 28 111 102 112 207 24 104 103 113 208 24 104 103 114 209 28 113 103 114 210 25 105 104 103 211 26 115 104 103 212 26 116 104 103 213 27 105 104 115 214 27 105 104 116 215 2 115 104 116 216 25 104 105 99 217 26 117 105 99 218 26 118 105 99 219 27 104 105 117 220 27 104 105 118 221 2 117 105 118 Dihedrals 1 1 26 1 2 7 2 2 26 1 2 3 3 3 26 1 2 28 4 1 27 1 2 7 5 2 27 1 2 3 6 3 27 1 2 28 7 4 25 1 2 7 8 5 25 1 2 3 9 6 25 1 2 28 10 7 26 1 25 21 11 8 2 1 25 21 12 7 27 1 25 21 13 9 1 2 7 3 14 10 28 2 7 3 15 11 1 2 3 7 16 12 1 2 3 29 17 12 1 2 3 30 18 13 7 2 3 29 19 13 7 2 3 30 20 13 7 3 2 28 21 14 28 2 3 29 22 14 28 2 3 30 23 10 29 3 7 2 24 10 30 3 7 2 25 10 32 4 8 5 26 10 31 4 8 5 27 13 8 5 4 32 28 12 6 5 4 32 29 14 32 4 5 33 30 11 6 5 4 8 31 13 8 4 5 33 32 13 8 5 4 31 33 12 6 5 4 31 34 14 31 4 5 33 35 9 6 5 8 4 36 10 33 5 8 4 37 5 24 6 5 4 38 2 34 6 5 4 39 2 35 6 5 4 40 4 24 6 5 8 41 1 34 6 5 8 42 1 35 6 5 8 43 6 24 6 5 33 44 3 34 6 5 33 45 3 35 6 5 33 46 8 5 6 24 9 47 7 34 6 24 9 48 7 35 6 24 9 49 15 10 9 14 13 50 16 10 9 14 39 51 17 13 14 9 24 52 18 24 9 14 39 53 15 14 9 10 11 54 16 14 9 10 36 55 17 11 10 9 24 56 18 24 9 10 36 57 19 14 9 24 6 58 19 10 9 24 6 59 15 9 10 11 12 60 16 9 10 11 37 61 16 12 11 10 36 62 20 36 10 11 37 63 15 10 11 12 13 64 21 10 11 12 15 65 16 13 12 11 37 66 22 15 12 11 37 67 15 11 12 13 14 68 16 11 12 13 38 69 21 14 13 12 15 70 22 15 12 13 38 71 23 11 12 15 16 72 23 11 12 15 17 73 24 11 12 15 18 74 23 13 12 15 16 75 23 13 12 15 17 76 24 13 12 15 18 77 15 12 13 14 9 78 16 12 13 14 39 79 16 9 14 13 38 80 20 38 13 14 39 81 25 12 15 16 40 82 25 12 15 16 41 83 25 12 15 16 42 84 26 17 15 16 40 85 26 17 15 16 41 86 26 17 15 16 42 87 25 18 15 16 40 88 25 18 15 16 41 89 25 18 15 16 42 90 25 12 15 17 43 91 25 12 15 17 44 92 25 12 15 17 45 93 26 16 15 17 43 94 26 16 15 17 44 95 26 16 15 17 45 96 25 18 15 17 43 97 25 18 15 17 44 98 25 18 15 17 45 99 24 23 18 15 12 100 24 19 18 15 12 101 23 23 18 15 16 102 23 19 18 15 16 103 23 23 18 15 17 104 23 19 18 15 17 105 21 22 23 18 15 106 22 15 18 23 49 107 15 19 18 23 22 108 16 19 18 23 49 109 21 20 19 18 15 110 22 15 18 19 46 111 15 23 18 19 20 112 16 23 18 19 46 113 15 18 19 20 21 114 16 18 19 20 47 115 16 21 20 19 46 116 20 46 19 20 47 117 15 19 20 21 22 118 17 19 20 21 25 119 16 22 21 20 47 120 18 25 21 20 47 121 15 20 21 22 23 122 16 20 21 22 48 123 17 23 22 21 25 124 18 25 21 22 48 125 19 20 21 25 1 126 19 22 21 25 1 127 15 21 22 23 18 128 16 21 22 23 49 129 16 18 23 22 48 130 20 48 22 23 49 131 1 75 50 51 56 132 2 75 50 51 52 133 3 75 50 51 77 134 1 76 50 51 56 135 2 76 50 51 52 136 3 76 50 51 77 137 4 74 50 51 56 138 5 74 50 51 52 139 6 74 50 51 77 140 7 75 50 74 70 141 8 51 50 74 70 142 7 76 50 74 70 143 9 50 51 56 52 144 10 77 51 56 52 145 11 50 51 52 56 146 12 50 51 52 78 147 12 50 51 52 79 148 13 56 51 52 78 149 13 56 51 52 79 150 13 56 52 51 77 151 14 77 51 52 78 152 14 77 51 52 79 153 10 78 52 56 51 154 10 79 52 56 51 155 10 81 53 57 54 156 10 80 53 57 54 157 13 57 54 53 81 158 12 55 54 53 81 159 14 81 53 54 82 160 11 55 54 53 57 161 13 57 53 54 82 162 13 57 54 53 80 163 12 55 54 53 80 164 14 80 53 54 82 165 9 55 54 57 53 166 10 82 54 57 53 167 5 73 55 54 53 168 2 83 55 54 53 169 2 84 55 54 53 170 4 73 55 54 57 171 1 83 55 54 57 172 1 84 55 54 57 173 6 73 55 54 82 174 3 83 55 54 82 175 3 84 55 54 82 176 8 54 55 73 58 177 7 83 55 73 58 178 7 84 55 73 58 179 15 59 58 63 62 180 16 59 58 63 88 181 17 62 63 58 73 182 18 73 58 63 88 183 15 63 58 59 60 184 16 63 58 59 85 185 17 60 59 58 73 186 18 73 58 59 85 187 19 63 58 73 55 188 19 59 58 73 55 189 15 58 59 60 61 190 16 58 59 60 86 191 16 61 60 59 85 192 20 85 59 60 86 193 15 59 60 61 62 194 21 59 60 61 64 195 16 62 61 60 86 196 22 64 61 60 86 197 15 60 61 62 63 198 16 60 61 62 87 199 21 63 62 61 64 200 22 64 61 62 87 201 23 60 61 64 65 202 23 60 61 64 66 203 24 60 61 64 67 204 23 62 61 64 65 205 23 62 61 64 66 206 24 62 61 64 67 207 15 61 62 63 58 208 16 61 62 63 88 209 16 58 63 62 87 210 20 87 62 63 88 211 25 61 64 65 89 212 25 61 64 65 90 213 25 61 64 65 91 214 26 66 64 65 89 215 26 66 64 65 90 216 26 66 64 65 91 217 25 67 64 65 89 218 25 67 64 65 90 219 25 67 64 65 91 220 25 61 64 66 92 221 25 61 64 66 93 222 25 61 64 66 94 223 26 65 64 66 92 224 26 65 64 66 93 225 26 65 64 66 94 226 25 67 64 66 92 227 25 67 64 66 93 228 25 67 64 66 94 229 24 72 67 64 61 230 24 68 67 64 61 231 23 72 67 64 65 232 23 68 67 64 65 233 23 72 67 64 66 234 23 68 67 64 66 235 21 71 72 67 64 236 22 64 67 72 98 237 15 68 67 72 71 238 16 68 67 72 98 239 21 69 68 67 64 240 22 64 67 68 95 241 15 72 67 68 69 242 16 72 67 68 95 243 15 67 68 69 70 244 16 67 68 69 96 245 16 70 69 68 95 246 20 95 68 69 96 247 15 68 69 70 71 248 17 68 69 70 74 249 16 71 70 69 96 250 18 74 70 69 96 251 15 69 70 71 72 252 16 69 70 71 97 253 17 72 71 70 74 254 18 74 70 71 97 255 19 69 70 74 50 256 19 71 70 74 50 257 15 70 71 72 67 258 16 70 71 72 98 259 16 67 72 71 97 260 20 97 71 72 98 261 27 101 100 99 105 262 28 107 100 99 105 263 28 108 100 99 105 264 29 101 100 99 106 265 30 107 100 99 106 266 30 108 100 99 106 267 27 104 105 99 100 268 28 117 105 99 100 269 28 118 105 99 100 270 29 104 105 99 106 271 30 117 105 99 106 272 30 118 105 99 106 273 31 99 100 101 102 274 32 109 101 100 99 275 32 110 101 100 99 276 32 107 100 101 102 277 33 107 100 101 109 278 33 107 100 101 110 279 32 108 100 101 102 280 33 108 100 101 109 281 33 108 100 101 110 282 29 100 101 102 111 283 29 100 101 102 112 284 30 109 101 102 111 285 30 109 101 102 112 286 30 110 101 102 111 287 30 110 101 102 112 288 29 105 104 103 113 289 30 115 104 103 113 290 30 116 104 103 113 291 29 105 104 103 114 292 30 115 104 103 114 293 30 116 104 103 114 294 31 103 104 105 99 295 32 117 105 104 103 296 32 118 105 104 103 297 32 115 104 105 99 298 33 115 104 105 117 299 33 115 104 105 118 300 32 116 104 105 99 301 33 116 104 105 117 302 33 116 104 105 118 Impropers 1 1 14 9 10 24 2 2 9 10 11 36 3 2 10 11 12 37 4 3 11 12 13 15 5 2 12 13 14 38 6 2 9 14 13 39 7 3 23 18 19 15 8 2 18 19 20 46 9 2 19 20 21 47 10 1 20 21 22 25 11 2 21 22 23 48 12 2 18 23 22 49 13 1 63 58 59 73 14 2 58 59 60 85 15 2 59 60 61 86 16 3 60 61 62 64 17 2 61 62 63 87 18 2 58 63 62 88 19 3 72 67 68 64 20 2 67 68 69 95 21 2 68 69 70 96 22 1 69 70 71 74 23 2 70 71 72 97 24 2 67 72 71 98 25 4 100 99 105 106 26 5 101 102 111 112 27 5 104 103 113 114 28 6 2 1 26 27 29 7 2 1 25 26 30 8 25 1 27 26 31 7 2 1 25 27 32 9 1 2 3 7 33 10 1 2 7 28 34 11 1 2 3 28 35 12 3 2 7 28 36 12 2 3 7 29 37 12 2 3 7 30 38 13 2 3 29 30 39 14 7 3 29 30 40 12 5 4 8 32 41 14 8 4 32 31 42 13 5 4 32 31 43 12 5 4 8 31 44 9 6 5 4 8 45 12 4 5 8 33 46 11 6 5 4 33 47 10 6 5 8 33 48 7 5 6 24 34 49 7 5 6 24 35 50 6 5 6 34 35 51 8 24 6 34 35 52 15 12 15 16 17 53 16 12 15 18 16 54 16 12 15 18 17 55 15 18 15 17 16 56 17 15 16 40 41 57 17 15 16 40 42 58 17 15 16 41 42 59 18 40 16 41 42 60 17 15 17 43 44 61 17 15 17 43 45 62 17 15 17 44 45 63 18 43 17 44 45 64 6 51 50 75 76 65 7 51 50 74 75 66 8 74 50 76 75 67 7 51 50 74 76 68 9 50 51 52 56 69 10 50 51 56 77 70 11 50 51 52 77 71 12 52 51 56 77 72 12 51 52 56 78 73 12 51 52 56 79 74 13 51 52 78 79 75 14 56 52 78 79 76 12 54 53 57 81 77 14 57 53 81 80 78 13 54 53 81 80 79 12 54 53 57 80 80 9 55 54 53 57 81 12 53 54 57 82 82 11 55 54 53 82 83 10 55 54 57 82 84 7 54 55 73 83 85 7 54 55 73 84 86 6 54 55 83 84 87 8 73 55 83 84 88 15 61 64 65 66 89 16 61 64 67 65 90 16 61 64 67 66 91 15 67 64 66 65 92 17 64 65 89 90 93 17 64 65 89 91 94 17 64 65 90 91 95 18 89 65 90 91 96 17 64 66 92 93 97 17 64 66 92 94 98 17 64 66 93 94 99 18 92 66 93 94 100 19 101 100 107 99 101 19 101 100 108 99 102 20 107 100 108 99 103 21 101 100 107 108 104 19 100 101 109 102 105 19 100 101 110 102 106 21 100 101 109 110 107 20 109 101 110 102 108 19 105 104 115 103 109 19 105 104 116 103 110 20 115 104 116 103 111 21 105 104 115 116 112 19 104 105 117 99 113 19 104 105 118 99 114 20 117 105 118 99 115 21 104 105 117 118