GRRM 23 January 23, 2023 Saddle wB97XD def2svpp 0 1 1 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,33,14,31;35,39,42,45,46/CRV:10.3,11.3;4.3,5.1/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOHC3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s45;s45;/rC:-4.7413,-1.1062,2.1823;-5.0927,-2.0408,2.6529;-4.8343,-1.2339,1.0905;-5.4305,-.2973,2.4858;-3.3024,-.7758,2.5745;-2.9591,.0975,1.9918;-2.639,-1.6138,2.2894;-3.1115,-.467,4.0615;-3.7344,.4069,4.3276;-2.0629,-.1644,4.2353;-3.4483,-1.6401,4.9785;-2.9333,-2.557,4.6369;-4.5272,-1.8849,4.9372;-3.0945,-1.4825,6.4321;-1.9223,-.1029,8.2166;-1.9957,-.97,8.8925;-2.1992,.7786,8.819;-.4807,.0955,7.7266;.1514,.3436,8.5981;-.4527,.9861,7.071;.1331,-1.0858,6.9698;1.1547,-.7967,6.6588;-.4291,-1.255,6.0314;.2017,-2.4052,7.747;.709,-3.1519,7.1096;-.8183,-2.7944,7.9087;.9328,-2.3063,9.0842;1.0509,-3.3022,9.5444;1.9412,-1.8705,8.9595;.3829,-1.6764,9.8052;-3.1571,-2.5735,7.1344;-3.6907,-2.2961,8.0454;-2.8853,-.2548,7.0598;-2.9323,.6162,6.3997;-5.6417,2.1291,6.567;-5.2974,1.3608,5.8529;-5.6113,3.1007,6.0448;-6.6973,1.9108,6.8091;-4.7806,2.161,7.8288;-3.7274,2.3483,7.5539;-5.0823,3.0257,8.4464;-4.8796,.9111,8.7056;-5.9015,.8528,9.1308;-4.2016,.9799,9.5717;-4.6939,-.4516,8.0597;-4.4936,-1.4559,8.8095;-5.3323,-.5923,7.1572; -739.265899675512 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.002408993266 0.000453791803 0.034668476091 0.008421445510 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.104962205 0.000080445 0.000106607 0.000157824 0.000323332 0.000385904 0.000841399 0.000957346 0.001151999 0.001206192 0.001529357 0.001968793 0.002810944 0.003218282 0.003413608 0.004869592 0.005724524 0.006179429 0.006417648 0.007742568 0.008727051 0.011331058 0.011754230 0.014242217 0.017121235 0.019813772 0.022984962 0.024641361 0.028956298 0.031560441 0.032063965 0.032994794 0.037187626 0.038473367 0.040529272 0.041787756 0.043263539 0.046411929 0.047223632 0.048182925 0.050354272 0.051365268 0.051971501 0.053803518 0.054586659 0.056024504 0.056580193 0.057659600 0.057823743 0.058739303 0.061097029 0.066448118 0.070541403 0.072484773 0.074879764 0.076766428 0.077936498 0.079533863 0.080929793 0.081723048 0.090503205 0.095451274 0.099517287 0.103841162 0.105590922 0.111640564 0.112328780 0.112873527 0.113757198 0.115297934 0.120667417 0.122621911 0.129289857 0.133408316 0.138568763 0.139472440 0.143614026 0.159123565 0.163180381 0.168536025 0.170382996 0.172071004 0.178456468 0.180061939 0.188221371 0.204751976 0.210990221 0.215025000 0.219754344 0.239926492 0.256582832 0.278869993 0.312931966 0.321320634 0.361093577 0.377098093 0.401336788 0.434570430 0.469202110 0.507617847 0.525463884 0.580483108 0.609896979 0.629496307 0.649969656 0.705681288 0.760028264 0.763498451 0.765447638 0.769169440 0.772218109 0.776738220 0.778426010 0.796289262 0.798734534 0.799469660 0.807701492 0.812436692 0.823006618 0.834696423 0.848410026 0.859404984 0.861629715 0.867561552 0.868328739 0.904441730 0.906058678 0.907457831 0.910845118 0.919929873 0.923407279 0.942489216 1.042045120 1.102212263 1.277636120 2 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,33,14,31;35,39,42,45,46/CRV:10.3,11.3;4.3,5.1/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOHC3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s45;s45;/rC:-4.7469,-1.1091,2.1767;-5.0992,-2.0429,2.6483;-4.8399,-1.2374,1.085;-5.4352,-.2991,2.4796;-3.3078,-.7801,2.5692;-2.9629,.0918,1.9853;-2.6453,-1.6194,2.2861;-3.1174,-.4687,4.0556;-3.7388,.4072,4.3192;-2.0683,-.1675,4.2286;-3.455,-1.6382,4.9769;-2.9418,-2.5567,4.6371;-4.5342,-1.882,4.9379;-3.0958,-1.4774,6.4301;-1.9141,-.096,8.2095;-1.9928,-.9643,8.8832;-2.1939,.7859,8.8104;-.4664,.1003,7.7331;.1594,.341,8.6117;-.4279,.9944,7.0829;.1488,-1.0798,6.9755;1.1739,-.7938,6.6728;-.4074,-1.2429,6.0327;.2065,-2.4025,7.7481;.7123,-3.1499,7.1102;-.8165,-2.7862,7.9042;.9338,-2.3113,9.088;1.0474,-3.309,9.5454;1.944,-1.8784,8.9676;.3842,-1.6818,9.8096;-3.1675,-2.5623,7.1393;-3.7253,-2.2735,8.0481;-2.8681,-.2473,7.0464;-2.9039,.6206,6.3809;-5.6421,2.1222,6.5708;-5.2963,1.3523,5.8591;-5.6072,3.0929,6.0475;-6.6992,1.9069,6.8091;-4.7846,2.1546,7.8349;-3.7298,2.3337,7.5617;-5.0833,3.0217,8.4502;-4.8891,.9065,8.7127;-5.91,.8539,9.1419;-4.2071,.9684,9.5763;-4.7087,-.4494,8.0603;-4.4994,-1.4571,8.8019;-5.3388,-.5908,7.1537; -739.266159292154 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001246347418 0.000211151849 0.025892554318 0.008422667394 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.105012892 0.000080617 0.000106309 0.000154300 0.000324785 0.000403539 0.000823826 0.000956999 0.001155660 0.001219497 0.001538044 0.001980187 0.002871215 0.003215830 0.003443784 0.004940092 0.005726125 0.006168473 0.006438350 0.007944637 0.008738564 0.011331783 0.011752967 0.014395220 0.017123670 0.019847106 0.023006707 0.024652649 0.028953065 0.031571673 0.032072210 0.032995274 0.037177428 0.038486032 0.040542093 0.041797126 0.043271477 0.046421840 0.047224705 0.048192905 0.050365402 0.051366864 0.051971647 0.053804369 0.054597134 0.056024196 0.056574091 0.057659271 0.057825383 0.058738654 0.061107738 0.066448352 0.070540950 0.072490402 0.074879796 0.076766363 0.077942373 0.079539523 0.080936015 0.081724489 0.090516910 0.095457837 0.099520819 0.103843040 0.105596801 0.111640639 0.112330826 0.112876279 0.113758718 0.115298690 0.120731036 0.122624153 0.129293741 0.133409212 0.138568697 0.139473915 0.143614913 0.159138867 0.163180501 0.168536339 0.170383497 0.172074921 0.178457590 0.180063781 0.188227200 0.204752558 0.210990157 0.215035777 0.219772632 0.239949908 0.256638211 0.278908098 0.312931992 0.321320742 0.361110734 0.377161782 0.401338831 0.434619798 0.469224762 0.507619254 0.525464665 0.580486920 0.609900172 0.629496312 0.649985538 0.705696090 0.760028709 0.763509915 0.765447747 0.769169556 0.772218139 0.776739133 0.778426294 0.796289347 0.798734529 0.799470507 0.807701529 0.812437186 0.823011632 0.834700745 0.848410487 0.859407657 0.861630409 0.867571694 0.868328922 0.904442829 0.906062261 0.907457936 0.910845573 0.919931613 0.923407213 0.942504923 1.042320262 1.102212159 1.277646739 3 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,33,14,31;35,39,42,45,46/CRV:10.3,11.3;4.3,5.1/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOHC3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s45;s45;/rC:-4.7594,-1.115,2.1731;-5.1133,-2.0457,2.6497;-4.8539,-1.2488,1.0821;-5.4458,-.302,2.4723;-3.319,-.7871,2.5618;-2.9733,.0809,1.9724;-2.6592,-1.6295,2.2814;-3.1235,-.4686,4.0464;-3.7423,.4098,4.3081;-2.0732,-.1687,4.2137;-3.4598,-1.6335,4.974;-2.9544,-2.5557,4.6328;-4.5407,-1.8716,4.9433;-3.0911,-1.4737,6.4258;-1.9084,-.0915,8.2077;-1.9916,-.9603,8.8802;-2.1925,.7901,8.8072;-.4559,.1061,7.7456;.161,.3389,8.6329;-.4082,1.0054,7.1029;.1657,-1.0692,6.9858;1.1949,-.7829,6.6967;-.3815,-1.2235,6.036;.2123,-2.3979,7.7489;.7193,-3.1427,7.1089;-.8136,-2.778,7.895;.9308,-2.321,9.0947;1.0345,-3.3228,9.5457;1.9449,-1.8942,8.9846;.3805,-1.6929,9.8171;-3.1639,-2.557,7.1341;-3.733,-2.2671,8.0452;-2.8585,-.2431,7.0408;-2.8885,.6234,6.3724;-5.6417,2.1202,6.5729;-5.2946,1.3494,5.8629;-5.6054,3.0902,6.0487;-6.6994,1.9053,6.8095;-4.7864,2.1532,7.8385;-3.7313,2.3319,7.567;-5.0865,3.0193,8.4543;-4.8909,.9034,8.7128;-5.9119,.8474,9.1411;-4.2097,.9616,9.5772;-4.7062,-.4476,8.053;-4.4986,-1.4583,8.7929;-5.3342,-.5872,7.145; -739.266237659154 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000530752311 0.000114658610 0.026072723340 0.008421534730 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.105026009 0.000080569 0.000106335 0.000156846 0.000323741 0.000419824 0.000870941 0.000959549 0.001152877 0.001227570 0.001550048 0.001978989 0.002892644 0.003212343 0.003451162 0.004938497 0.005726239 0.006170225 0.006434593 0.007913992 0.008738184 0.011333484 0.011746957 0.014378975 0.017121121 0.019833191 0.023009605 0.024651014 0.028954185 0.031571522 0.032072438 0.032995257 0.037176857 0.038487410 0.040542592 0.041797231 0.043271870 0.046425671 0.047224864 0.048194699 0.050368218 0.051368489 0.051971993 0.053804614 0.054597812 0.056025094 0.056573512 0.057659420 0.057826165 0.058738534 0.061117653 0.066449157 0.070540597 0.072491790 0.074879808 0.076766218 0.077942582 0.079539414 0.080935781 0.081724695 0.090519039 0.095458561 0.099521716 0.103843891 0.105598252 0.111640637 0.112330896 0.112876811 0.113761029 0.115301507 0.120756944 0.122623797 0.129294247 0.133410318 0.138568546 0.139476661 0.143615112 0.159152637 0.163180564 0.168537103 0.170384037 0.172075744 0.178458647 0.180067577 0.188226625 0.204753175 0.210996145 0.215042806 0.219771114 0.239947442 0.256635533 0.278908764 0.312932110 0.321322289 0.361110286 0.377160512 0.401338908 0.434619515 0.469224216 0.507619658 0.525465281 0.580486985 0.609900304 0.629497937 0.649985696 0.705698595 0.760031694 0.763509908 0.765449476 0.769169831 0.772220902 0.776739600 0.778426442 0.796289641 0.798734540 0.799470700 0.807701530 0.812437160 0.823012851 0.834700789 0.848410625 0.859409140 0.861630413 0.867572899 0.868328881 0.904444450 0.906063036 0.907459888 0.910847112 0.919932937 0.923407331 0.942506124 1.042339377 1.102212453 1.277646885 4 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-4.7752,-1.1193,2.1765;-5.1289,-2.0467,2.6597;-4.8747,-1.2589,1.0866;-5.4586,-.3033,2.4741;-3.3323,-.7923,2.5568;-2.9882,.0728,1.9623;-2.6755,-1.6369,2.2761;-3.1281,-.4691,4.0395;-3.7441,.411,4.302;-2.0764,-.1702,4.1999;-3.4609,-1.6312,4.9718;-2.96,-2.5551,4.6288;-4.5426,-1.8669,4.9476;-3.0837,-1.4717,6.4218;-1.9046,-.091,8.2083;-1.9902,-.962,8.8776;-2.1942,.7882,8.8089;-.4488,.1116,7.7587;.1599,.3389,8.6529;-.397,1.0156,7.1231;.181,-1.0573,6.9959;1.2135,-.7686,6.7211;-.3554,-1.2032,6.0386;.2185,-2.3928,7.7476;.731,-3.1324,7.1059;-.8094,-2.7728,7.8801;.9236,-2.3294,9.1014;1.0185,-3.3353,9.5452;1.9406,-1.9059,9.0052;.3684,-1.7051,9.8234;-3.1554,-2.5549,7.1304;-3.7323,-2.2645,8.0411;-2.8473,-.2413,7.0355;-2.8779,.6264,6.3688;-5.6385,2.1219,6.5705;-5.2893,1.3542,5.8583;-5.6029,3.0937,6.0496;-6.6962,1.9048,6.805;-4.7849,2.1518,7.8373;-3.7293,2.3312,7.5679;-5.0861,3.0161,8.4551;-4.8906,.8997,8.708;-5.9128,.8419,9.1339;-4.2115,.9558,9.5742;-4.7043,-.4491,8.0454;-4.4971,-1.4613,8.783;-5.3275,-.5876,7.1341; -739.266275954648 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000303938142 0.000085512599 0.025658277785 0.008425133376 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.105028499 0.000081704 0.000104693 0.000171672 0.000325865 0.000411838 0.000864133 0.000958452 0.001150924 0.001224111 0.001537052 0.001980159 0.002884550 0.003215200 0.003449788 0.004937808 0.005726253 0.006170264 0.006434023 0.007914123 0.008737921 0.011333598 0.011750090 0.014381255 0.017121836 0.019836285 0.023011339 0.024652298 0.028954157 0.031572181 0.032072888 0.032995294 0.037177226 0.038488685 0.040542745 0.041797235 0.043271796 0.046426673 0.047224915 0.048194825 0.050371040 0.051367653 0.051971826 0.053804481 0.054597972 0.056023801 0.056573255 0.057659498 0.057826493 0.058739083 0.061121386 0.066448781 0.070540479 0.072491877 0.074879889 0.076765943 0.077942538 0.079539208 0.080936400 0.081725264 0.090519513 0.095458829 0.099521882 0.103843673 0.105598930 0.111640637 0.112330842 0.112876840 0.113761743 0.115302984 0.120763953 0.122623676 0.129294479 0.133410856 0.138568207 0.139477586 0.143614849 0.159151315 0.163180733 0.168536500 0.170383600 0.172076073 0.178458613 0.180067726 0.188226556 0.204753787 0.210993590 0.215042108 0.219771106 0.239947176 0.256635620 0.278908917 0.312932832 0.321321866 0.361110612 0.377162475 0.401339038 0.434621369 0.469224342 0.507620171 0.525465084 0.580487281 0.609900302 0.629497851 0.649985868 0.705698531 0.760031766 0.763510125 0.765449288 0.769170253 0.772220862 0.776739687 0.778426416 0.796289613 0.798734610 0.799470697 0.807701526 0.812437105 0.823013136 0.834700783 0.848410689 0.859409787 0.861630438 0.867573663 0.868328744 0.904444235 0.906063039 0.907460065 0.910847185 0.919932884 0.923407202 0.942508548 1.042338623 1.102213988 1.277647439 5 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-4.7928,-1.1203,2.1847;-5.1448,-2.0461,2.672;-4.9004,-1.262,1.0958;-5.4728,-.3026,2.4854;-3.3465,-.7949,2.5539;-3.0055,.0686,1.9555;-2.6932,-1.6411,2.2695;-3.1306,-.4702,4.0348;-3.7442,.4106,4.3008;-2.0775,-.1719,4.1871;-3.4576,-1.6314,4.9699;-2.9575,-2.5552,4.6253;-4.5391,-1.8682,4.9503;-3.0764,-1.4719,6.4188;-1.9019,-.0925,8.2099;-1.9883,-.9663,8.8754;-2.1974,.7834,8.8124;-.444,.1166,7.7708;.1577,.339,8.6711;-.3895,1.0252,7.1421;.1945,-1.0455,7.0047;1.2297,-.7539,6.7435;-.3317,-1.1834,6.0406;.2247,-2.3874,7.7452;.7448,-3.1211,7.1028;-.8044,-2.7691,7.8632;.9144,-2.3358,9.1074;1.0033,-3.3455,9.5438;1.9328,-1.9125,9.0267;.3514,-1.7173,9.8284;-3.1482,-2.5553,7.1271;-3.7299,-2.2652,8.0365;-2.8397,-.2418,7.033;-2.8688,.6265,6.3668;-5.6329,2.1226,6.5645;-5.2829,1.3549,5.8526;-5.5952,3.0948,6.0444;-6.6912,1.9063,6.7967;-4.7819,2.1505,7.8331;-3.7256,2.3297,7.5662;-5.0841,3.0139,8.4516;-4.8899,.897,8.7014;-5.9135,.8379,9.1237;-4.2139,.9519,9.5701;-4.7006,-.4504,8.0372;-4.4958,-1.4634,8.7748;-5.3207,-.5878,7.1238; -739.266298709732 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000241388967 0.000069877236 0.027132635009 0.008417482795 0.000300000000 0.000200000000 0.001864211131 0.001242807421 -0.105029098 0.000080325 0.000106110 0.000160204 0.000325269 0.000435050 0.000862446 0.000958712 0.001150983 0.001224053 0.001541615 0.001980484 0.002886568 0.003215564 0.003450974 0.004938106 0.005726282 0.006170921 0.006433889 0.007914389 0.008738256 0.011333602 0.011749918 0.014381094 0.017121858 0.019837440 0.023011542 0.024652414 0.028954271 0.031572581 0.032072931 0.032995269 0.037177118 0.038488747 0.040542798 0.041797225 0.043271771 0.046427163 0.047225000 0.048194799 0.050371088 0.051367140 0.051971837 0.053804432 0.054597823 0.056022253 0.056573184 0.057659321 0.057826207 0.058738787 0.061122870 0.066446885 0.070540372 0.072492946 0.074879789 0.076765766 0.077942791 0.079538362 0.080934488 0.081724973 0.090519811 0.095459115 0.099522044 0.103843563 0.105599220 0.111640623 0.112330876 0.112876824 0.113761529 0.115303336 0.120764658 0.122623592 0.129294325 0.133410776 0.138567765 0.139477562 0.143614550 0.159151835 0.163180639 0.168535752 0.170382965 0.172075942 0.178458096 0.180067684 0.188226739 0.204753642 0.210991971 0.215041050 0.219768744 0.239945403 0.256632438 0.278908821 0.312932675 0.321321921 0.361110609 0.377162577 0.401339201 0.434621328 0.469224514 0.507620176 0.525465144 0.580487255 0.609900330 0.629497886 0.649985730 0.705698584 0.760031765 0.763510058 0.765449293 0.769170118 0.772221000 0.776739729 0.778426426 0.796289619 0.798734803 0.799470708 0.807701599 0.812437099 0.823013180 0.834701030 0.848410703 0.859409651 0.861630439 0.867573711 0.868328608 0.904444060 0.906063083 0.907459969 0.910847294 0.919933508 0.923407189 0.942507962 1.042338789 1.102213996 1.277647597 6 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-4.8109,-1.1183,2.1959;-5.1602,-2.0442,2.6848;-4.9275,-1.2584,1.1077;-5.4875,-.3001,2.5031;-3.3612,-.7952,2.5539;-3.0241,.0685,1.9535;-2.7113,-1.6418,2.2632;-3.1332,-.4723,4.0334;-3.7454,.4076,4.3053;-2.0791,-.1734,4.1778;-3.4521,-1.635,4.9692;-2.9486,-2.5563,4.623;-4.5324,-1.8769,4.9523;-3.0694,-1.4749,6.4177;-1.9009,-.0962,8.2135;-1.9869,-.9733,8.8747;-2.2024,.7758,8.8186;-.4415,.1205,7.7832;.1546,.3387,8.6882;-.3866,1.0336,7.161;.2047,-1.0344,7.0128;1.2412,-.7389,6.7617;-.3142,-1.1654,6.044;.2316,-2.3821,7.7427;.7594,-3.1094,7.0992;-.7974,-2.7669,7.8487;.9085,-2.3399,9.1115;.9948,-3.3529,9.5405;1.9268,-1.9144,9.0438;.3375,-1.728,9.832;-3.1428,-2.5577,7.1268;-3.7309,-2.2663,8.0334;-2.8327,-.2447,7.0317;-2.8593,.6238,6.3656;-5.6239,2.1244,6.5546;-5.2727,1.3573,5.8426;-5.583,3.0972,6.0361;-6.6834,1.9093,6.7828;-4.7772,2.1491,7.826;-3.7197,2.3271,7.5631;-5.0803,3.0121,8.4448;-4.8904,.8946,8.6923;-5.9161,.8358,9.1095;-4.2187,.948,9.5644;-4.699,-.4523,8.0278;-4.4984,-1.4659,8.7657;-5.3148,-.5885,7.1113; -739.266312383060 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000376728697 0.000062365267 0.025744775571 0.008423612315 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.105030410 0.000079931 0.000104658 0.000168765 0.000325563 0.000427554 0.000862465 0.000958845 0.001150816 0.001225352 0.001541555 0.001980375 0.002886550 0.003215476 0.003450949 0.004938558 0.005726272 0.006171000 0.006433820 0.007914295 0.008738249 0.011333620 0.011750015 0.014381019 0.017121995 0.019837607 0.023011722 0.024652410 0.028954340 0.031572676 0.032072959 0.032995259 0.037177242 0.038488802 0.040542746 0.041797203 0.043271731 0.046427329 0.047224851 0.048194785 0.050371188 0.051366612 0.051971721 0.053804429 0.054597724 0.056021272 0.056572981 0.057659043 0.057825994 0.058738361 0.061122680 0.066445272 0.070540281 0.072493224 0.074879752 0.076765466 0.077942651 0.079537059 0.080932780 0.081724790 0.090520143 0.095459149 0.099522030 0.103843457 0.105599383 0.111640607 0.112330846 0.112876816 0.113761437 0.115303334 0.120765176 0.122623091 0.129294148 0.133410722 0.138567677 0.139477508 0.143614200 0.159151654 0.163180250 0.168535087 0.170382696 0.172075843 0.178458196 0.180067522 0.188226986 0.204753436 0.210989060 0.215039272 0.219765540 0.239942631 0.256628309 0.278908555 0.312932540 0.321321327 0.361110596 0.377162717 0.401339215 0.434622301 0.469224190 0.507620336 0.525465134 0.580487227 0.609900320 0.629497907 0.649985468 0.705698429 0.760031820 0.763509981 0.765449204 0.769169921 0.772220710 0.776739741 0.778426442 0.796289637 0.798734793 0.799470704 0.807701568 0.812437132 0.823013217 0.834700980 0.848410697 0.859409562 0.861630427 0.867573761 0.868328150 0.904443883 0.906063073 0.907459515 0.910847306 0.919933546 0.923406974 0.942507415 1.042339235 1.102214473 1.277648040 7 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-4.8276,-1.1145,2.2083;-5.175,-2.0412,2.6971;-4.9533,-1.2511,1.1207;-5.5001,-.2958,2.5234;-3.3744,-.7953,2.5556;-3.0403,.069,1.9544;-2.7286,-1.6427,2.2582;-3.1346,-.4755,4.034;-3.7448,.4038,4.3122;-2.0795,-.1767,4.171;-3.4463,-1.6401,4.9697;-2.9389,-2.5588,4.6223;-4.5255,-1.8872,4.9541;-3.064,-1.4792,6.4182;-1.9009,-.1009,8.2179;-1.9858,-.9814,8.8745;-2.2087,.7669,8.8259;-.4406,.1244,7.7954;.1505,.3382,8.7048;-.3862,1.0423,7.1802;.2137,-1.0224,7.0196;1.2513,-.7222,6.7785;-.2981,-1.1463,6.046;.2386,-2.3762,7.7384;.7734,-3.0967,7.093;-.7902,-2.7646,7.8332;.9042,-2.344,9.1129;.9894,-3.3605,9.5341;1.9221,-1.9157,9.0573;.3259,-1.7395,9.8337;-3.1392,-2.5611,7.1282;-3.7329,-2.2686,8.0319;-2.8273,-.2487,7.0319;-2.8509,.6196,6.3654;-5.6145,2.1255,6.5429;-5.2634,1.3568,5.8327;-5.5681,3.098,6.024;-6.6756,1.9144,6.7673;-4.7725,2.1479,7.8175;-3.7135,2.3232,7.5587;-5.0758,3.0114,8.4353;-4.892,.8934,8.6829;-5.92,.836,9.0946;-4.225,.9458,9.5586;-4.6989,-.4537,8.0194;-4.5029,-1.4673,8.7589;-5.3107,-.5896,7.1003; -739.266319544478 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000240256981 0.000051044575 0.021036381446 0.006693361886 0.000300000000 0.000200000000 0.001872994485 0.001248662990 -0.105030295 0.000084344 0.000101302 0.000169480 0.000325451 0.000437046 0.000861461 0.000958895 0.001150752 0.001225819 0.001542276 0.001980700 0.002886577 0.003215439 0.003450927 0.004938770 0.005726266 0.006171135 0.006433868 0.007914209 0.008738131 0.011333858 0.011750673 0.014380987 0.017122072 0.019838190 0.023012024 0.024652447 0.028954434 0.031572772 0.032072976 0.032995273 0.037177234 0.038488813 0.040542720 0.041797176 0.043271721 0.046427523 0.047224769 0.048194807 0.050371306 0.051366104 0.051971605 0.053804310 0.054597604 0.056020679 0.056572770 0.057658651 0.057825262 0.058738027 0.061122867 0.066444059 0.070540000 0.072493529 0.074879706 0.076765148 0.077942758 0.079535901 0.080930715 0.081724668 0.090520401 0.095459228 0.099522050 0.103843330 0.105599551 0.111640591 0.112330835 0.112876820 0.113761371 0.115303376 0.120766009 0.122622602 0.129293781 0.133410731 0.138567139 0.139477399 0.143613722 0.159152172 0.163180111 0.168534398 0.170382434 0.172075639 0.178458269 0.180067626 0.188226986 0.204753425 0.210986598 0.215041048 0.219763520 0.239942029 0.256625196 0.278908432 0.312932476 0.321321335 0.361110988 0.377162825 0.401339275 0.434622849 0.469224256 0.507620626 0.525465205 0.580487179 0.609900432 0.629497950 0.649985265 0.705698287 0.760031880 0.763509879 0.765449249 0.769169889 0.772221257 0.776739786 0.778426478 0.796289790 0.798734959 0.799470677 0.807701527 0.812437166 0.823013199 0.834700994 0.848410712 0.859409462 0.861630432 0.867573832 0.868327731 0.904443700 0.906063174 0.907459296 0.910847294 0.919933690 0.923406899 0.942506893 1.042339253 1.102214575 1.277648724 8 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-4.8406,-1.1074,2.2189;-5.1905,-2.0329,2.7083;-4.9743,-1.2413,1.1319;-5.5061,-.2852,2.54;-3.3831,-.7972,2.5572;-3.0479,.0657,1.9547;-2.7442,-1.6482,2.2547;-3.1324,-.4799,4.0344;-3.738,.4011,4.3171;-2.0755,-.1847,4.1653;-3.4423,-1.6444,4.9707;-2.9342,-2.5627,4.6231;-4.5213,-1.8927,4.9556;-3.0605,-1.4828,6.4193;-1.9022,-.1051,8.2223;-1.9863,-.9884,8.8753;-2.215,.7593,8.8326;-.4412,.1269,7.8059;.1464,.337,8.7183;-.3876,1.0484,7.1961;.2184,-1.0136,7.0254;1.2557,-.7096,6.789;-.2905,-1.133,6.05;.2447,-2.3715,7.7361;.7829,-3.0869,7.088;-.7832,-2.7626,7.8262;.9066,-2.346,9.1122;.9932,-3.3647,9.5274;1.9234,-1.915,9.0618;.3251,-1.7471,9.835;-3.1381,-2.5641,7.1302;-3.7363,-2.2701,8.0313;-2.8237,-.2522,7.0325;-2.8445,.6159,6.3657;-5.6075,2.1264,6.5325;-5.2561,1.3565,5.8238;-5.5565,3.0986,6.0136;-6.67,1.9183,6.7531;-4.7702,2.1467,7.8102;-3.71,2.3203,7.5555;-5.0743,3.0105,8.4273;-4.8952,.8922,8.6749;-5.9253,.836,9.0816;-4.2324,.9438,9.5538;-4.7004,-.4552,8.0126;-4.5081,-1.4686,8.7533;-5.3083,-.5911,7.0908; -739.266321116826 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000234731487 0.000058159531 0.024070534741 0.006667971737 0.000300000000 0.000200000000 0.001917084093 0.001278056062 -0.105030277 0.000046753 0.000118563 0.000161492 0.000326461 0.000466889 0.000866115 0.000959496 0.001150901 0.001226486 0.001543222 0.001981471 0.002886538 0.003215628 0.003450901 0.004939598 0.005726303 0.006172193 0.006434210 0.007914351 0.008738329 0.011333947 0.011752232 0.014380910 0.017122177 0.019839228 0.023012317 0.024652431 0.028954396 0.031573234 0.032073015 0.032995235 0.037177229 0.038488925 0.040542960 0.041797148 0.043271720 0.046427787 0.047224667 0.048194793 0.050371368 0.051365777 0.051971551 0.053804126 0.054597500 0.056022612 0.056573063 0.057658266 0.057825359 0.058739177 0.061122605 0.066442973 0.070539924 0.072493318 0.074879672 0.076765033 0.077943198 0.079535335 0.080929483 0.081724570 0.090520831 0.095459235 0.099522024 0.103843440 0.105599840 0.111640594 0.112330891 0.112876851 0.113761299 0.115303397 0.120766820 0.122622014 0.129293815 0.133410744 0.138567133 0.139477356 0.143613534 0.159153517 0.163179946 0.168533868 0.170382357 0.172075729 0.178459856 0.180067254 0.188227559 0.204753344 0.210994529 0.215039203 0.219761170 0.239940931 0.256624392 0.278908279 0.312932301 0.321322718 0.361113848 0.377162917 0.401339244 0.434623592 0.469224183 0.507620642 0.525465453 0.580487247 0.609900440 0.629497994 0.649985209 0.705698230 0.760032085 0.763510830 0.765449205 0.769170231 0.772222029 0.776739802 0.778426616 0.796289921 0.798734956 0.799470693 0.807701604 0.812437337 0.823013299 0.834701538 0.848410745 0.859409307 0.861630550 0.867574003 0.868328405 0.904446728 0.906063921 0.907459041 0.910847538 0.919938014 0.923409521 0.942506492 1.042339504 1.102217175 1.277649092 9 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-4.8389,-1.1143,2.2227;-5.1875,-2.0401,2.7124;-4.9716,-1.2486,1.136;-5.5055,-.2931,2.5428;-3.3825,-.8019,2.5617;-3.0483,.0613,1.9591;-2.7423,-1.6518,2.2603;-3.1333,-.4838,4.0386;-3.7406,.3961,4.3205;-2.0773,-.1865,4.1701;-3.4416,-1.6486,4.975;-2.9307,-2.5658,4.6286;-4.5198,-1.8997,4.9587;-3.062,-1.4857,6.424;-1.9042,-.1089,8.2275;-1.9848,-.9961,8.8757;-2.221,.7508,8.8423;-.4439,.1317,7.8137;.1422,.3361,8.7285;-.3928,1.0588,7.2118;.2204,-.9999,7.0237;1.2584,-.6911,6.7944;-.2845,-1.1103,6.0445;.2461,-2.3655,7.721;.7894,-3.0729,7.068;-.7818,-2.7605,7.8022;.901,-2.3523,9.1017;.9873,-3.3753,9.5073;1.9175,-1.918,9.0612;.3141,-1.7621,9.8278;-3.1424,-2.566,7.1361;-3.7423,-2.27,8.0357;-2.8239,-.2548,7.0363;-2.8418,.6128,6.3686;-5.601,2.1306,6.5291;-5.2515,1.3586,5.8218;-5.5453,3.1021,6.0091;-6.6647,1.927,6.748;-4.7659,2.1489,7.8081;-3.7046,2.3187,7.5553;-5.0682,3.0141,8.4241;-4.8966,.8953,8.6732;-5.9281,.8418,9.0768;-4.2364,.9459,9.5542;-4.7029,-.4531,8.0126;-4.5141,-1.4661,8.7549;-5.3093,-.5887,7.0899; -739.266318748755 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000836430778 0.000148831800 0.026494049409 0.008415203812 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.105030034 -0.000071249 0.000117065 0.000174707 0.000326701 0.000611677 0.000889593 0.000968158 0.001151999 0.001229783 0.001543466 0.001982768 0.002886543 0.003219523 0.003451397 0.004942820 0.005726294 0.006174664 0.006438583 0.007914311 0.008738662 0.011334023 0.011753162 0.014381530 0.017122895 0.019839601 0.023012383 0.024652435 0.028954395 0.031574312 0.032073463 0.032995402 0.037177285 0.038489478 0.040543874 0.041797408 0.043271702 0.046428919 0.047224697 0.048196297 0.050371463 0.051365837 0.051971525 0.053804462 0.054598003 0.056054735 0.056580389 0.057658650 0.057826691 0.058740755 0.061122488 0.066457751 0.070542250 0.072494518 0.074881752 0.076765030 0.077947994 0.079559419 0.080934144 0.081725137 0.090520890 0.095459321 0.099522025 0.103844740 0.105600141 0.111640710 0.112331278 0.112877034 0.113761224 0.115303369 0.120767055 0.122621568 0.129295454 0.133411275 0.138566167 0.139477227 0.143614301 0.159164631 0.163182153 0.168537456 0.170388971 0.172075546 0.178460536 0.180067018 0.188227976 0.204758567 0.211133360 0.215044545 0.219795365 0.239985112 0.256672770 0.278910497 0.312932631 0.321346973 0.361123751 0.377163544 0.401339201 0.434624089 0.469224211 0.507622789 0.525465514 0.580489551 0.609900456 0.629499141 0.649988802 0.705698274 0.760033289 0.763510686 0.765451121 0.769174191 0.772238138 0.776739858 0.778426637 0.796290200 0.798745464 0.799471729 0.807701540 0.812437859 0.823013314 0.834708369 0.848410961 0.859409833 0.861630747 0.867574120 0.868328614 0.904463266 0.906064320 0.907458461 0.910848024 0.919941890 0.923415145 0.942506158 1.042344382 1.102217380 1.277650992 10 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-4.8345,-1.1212,2.2253;-5.1837,-2.0467,2.7151;-4.9667,-1.2564,1.1383;-5.5014,-.2997,2.5447;-3.378,-.8088,2.5652;-3.0428,.0535,1.9618;-2.7378,-1.6595,2.2651;-3.1299,-.489,4.0422;-3.7363,.3922,4.3225;-2.0733,-.1932,4.1744;-3.4415,-1.6522,4.9794;-2.9303,-2.5702,4.6354;-4.5198,-1.9025,4.9603;-3.0664,-1.4883,6.4293;-1.912,-.1137,8.2361;-1.9907,-1.0048,8.8793;-2.2331,.7413,8.8553;-.4519,.1342,7.8253;.1337,.3318,8.742;-.4031,1.0669,7.2318;.2139,-.9888,7.0248;1.2494,-.6758,6.7936;-.2947,-1.0932,6.0478;.2468,-2.3591,7.711;.7831,-3.0622,7.0483;-.7791,-2.7537,7.8001;.9154,-2.3564,9.0833;1.0053,-3.3818,9.4811;1.9308,-1.9241,9.0347;.3373,-1.7699,9.8184;-3.1511,-2.5679,7.1421;-3.7545,-2.2701,8.0389;-2.8283,-.2576,7.0416;-2.8418,.6097,6.3733;-5.5909,2.1395,6.5244;-5.2414,1.3663,5.8184;-5.5267,3.1112,6.0057;-6.6571,1.9414,6.7369;-4.7631,2.1521,7.8086;-3.6995,2.3178,7.5623;-5.0652,3.0177,8.4241;-4.9043,.8979,8.6713;-5.9386,.8479,9.0682;-4.2495,.945,9.5567;-4.7114,-.4509,8.0111;-4.5283,-1.4645,8.754;-5.3145,-.5847,7.0856; -739.266315440987 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001211693731 0.000213902707 0.027424916124 0.008278809457 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.105030141 -0.000077400 0.000125013 0.000175762 0.000327629 0.000705630 0.000926444 0.000993290 0.001158235 0.001235179 0.001543779 0.001985336 0.002886835 0.003229761 0.003453598 0.004954843 0.005727229 0.006180317 0.006445178 0.007914864 0.008738616 0.011334318 0.011755481 0.014381331 0.017123471 0.019840408 0.023012404 0.024652576 0.028954363 0.031577452 0.032076113 0.032995492 0.037177356 0.038489453 0.040546079 0.041798386 0.043271868 0.046428741 0.047224636 0.048197277 0.050371857 0.051366752 0.051971689 0.053804673 0.054598181 0.056067833 0.056585230 0.057658271 0.057832969 0.058774113 0.061122464 0.066455881 0.070542458 0.072494803 0.074882035 0.076764732 0.077952305 0.079567891 0.080935566 0.081725173 0.090521177 0.095459303 0.099522021 0.103846363 0.105601306 0.111641333 0.112332987 0.112877128 0.113768169 0.115303340 0.120766546 0.122620929 0.129295935 0.133411329 0.138570550 0.139476979 0.143614567 0.159173425 0.163181967 0.168539940 0.170387904 0.172095150 0.178469185 0.180074049 0.188240708 0.204758978 0.211257345 0.215064385 0.219797328 0.240001240 0.256669989 0.278924284 0.312935387 0.321403414 0.361148814 0.377174357 0.401339248 0.434624108 0.469227353 0.507622752 0.525465836 0.580492623 0.609900462 0.629499316 0.649989346 0.705699454 0.760036366 0.763519860 0.765451423 0.769194824 0.772243918 0.776739870 0.778426829 0.796290228 0.798748216 0.799474942 0.807701662 0.812438444 0.823013656 0.834726671 0.848415348 0.859412751 0.861631080 0.867575250 0.868384773 0.904467596 0.906073501 0.907458350 0.910857778 0.920073805 0.923419071 0.942508433 1.042344207 1.102242324 1.277651520 11 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-4.8379,-1.1137,2.2215;-5.1871,-2.0393,2.711;-4.9707,-1.2481,1.1345;-5.5044,-.2921,2.5416;-3.3812,-.8018,2.5607;-3.0463,.0611,1.9579;-2.7413,-1.6523,2.2594;-3.132,-.4835,4.0378;-3.7385,.3972,4.3194;-2.0755,-.1874,4.1694;-3.4419,-1.6477,4.9744;-2.9321,-2.5656,4.6282;-4.5205,-1.8974,4.9577;-3.0626,-1.4851,6.4234;-1.9054,-.1085,8.2275;-1.987,-.9949,8.8765;-2.2216,.752,8.8414;-.445,.1302,7.8132;.1417,.3353,8.7272;-.3937,1.0562,7.2101;.2175,-1.0028,7.0246;1.2547,-.6952,6.7918;-.2901,-1.1154,6.0477;.2453,-2.3662,7.7246;.7843,-3.0759,7.0712;-.7822,-2.7592,7.8118;.907,-2.3507,9.1009;.9943,-3.3724,9.5085;1.9234,-1.9187,9.0539;.3249,-1.7578,9.8279;-3.1429,-2.5656,7.1352;-3.7428,-2.2701,8.0347;-2.8252,-.2544,7.0362;-2.8432,.6133,6.3687;-5.6012,2.1313,6.5298;-5.2509,1.36,5.8221;-5.5452,3.1032,6.0107;-6.665,1.9272,6.7478;-4.7669,2.1489,7.8095;-3.7055,2.3192,7.5575;-5.0699,3.0136,8.4259;-4.898,.8948,8.6737;-5.9295,.8411,9.0769;-4.238,.9449,9.5549;-4.704,-.4533,8.0124;-4.5152,-1.4667,8.7542;-5.3103,-.5886,7.0895; -739.266321188139 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000236060517 0.000045459425 0.026843375110 0.008373669076 0.000300000000 0.000200000000 0.001906290838 0.001270860559 -0.105030118 -0.000080011 0.000081777 0.000130293 0.000325147 0.000650747 0.000913964 0.000976056 0.001175317 0.001236819 0.001544982 0.001985693 0.002887515 0.003243260 0.003460575 0.004974684 0.005731160 0.006187848 0.006455617 0.007915619 0.008739419 0.011334359 0.011759090 0.014382702 0.017125650 0.019841908 0.023012507 0.024652568 0.028954716 0.031582403 0.032079539 0.032995596 0.037177393 0.038489911 0.040550381 0.041799792 0.043272032 0.046427759 0.047224541 0.048198951 0.050371699 0.051368128 0.051972654 0.053804750 0.054597979 0.056107090 0.056596444 0.057658367 0.057839417 0.058809968 0.061122991 0.066470032 0.070545428 0.072492403 0.074884716 0.076764920 0.077959050 0.079591420 0.080942883 0.081725317 0.090521666 0.095459078 0.099522020 0.103849623 0.105602990 0.111642025 0.112335368 0.112876961 0.113771866 0.115303558 0.120767585 0.122621838 0.129296530 0.133411168 0.138574427 0.139477317 0.143614080 0.159186517 0.163183214 0.168538442 0.170386804 0.172110461 0.178475367 0.180078722 0.188251165 0.204764653 0.211476852 0.215109013 0.219835966 0.240052445 0.256674917 0.278939746 0.312936747 0.321484108 0.361180443 0.377183871 0.401339425 0.434625243 0.469229998 0.507623716 0.525466005 0.580495674 0.609900609 0.629499875 0.649989937 0.705699954 0.760038428 0.763526052 0.765451501 0.769212679 0.772254690 0.776739990 0.778426939 0.796290981 0.798758458 0.799479109 0.807701934 0.812439108 0.823013946 0.834746625 0.848419115 0.859415896 0.861631464 0.867576012 0.868432035 0.904472366 0.906079842 0.907458950 0.910864719 0.920180449 0.923423170 0.942510054 1.042344669 1.102263568 1.277651654 12 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-4.8201,-1.1138,2.2105;-5.1785,-2.0356,2.7009;-4.9438,-1.2524,1.1231;-5.485,-.2873,2.5213;-3.3647,-.8083,2.5612;-3.02,.0507,1.9584;-2.7267,-1.6633,2.2683;-3.1264,-.4862,4.0391;-3.7292,.3997,4.3128;-2.069,-.1968,4.1786;-3.4517,-1.6452,4.9772;-2.9522,-2.5697,4.6337;-4.5333,-1.8821,4.9593;-3.0718,-1.4832,6.4262;-1.909,-.1065,8.2263;-1.9898,-.9915,8.8774;-2.221,.7559,8.8396;-.4499,.1284,7.8053;.1409,.3353,8.7163;-.3996,1.0527,7.1993;.2081,-1.0077,7.017;1.2439,-.7001,6.7764;-.3053,-1.1245,6.0431;.2416,-2.3685,7.7221;.7742,-3.0808,7.0655;-.7856,-2.7613,7.8205;.9175,-2.3478,9.0923;1.0091,-3.3683,9.5024;1.9339,-1.9154,9.0334;.3429,-1.7524,9.8241;-3.151,-2.5638,7.1379;-3.7462,-2.2685,8.0392;-2.8334,-.2524,7.0387;-2.8532,.6152,6.3712;-5.6065,2.1312,6.5381;-5.2547,1.3606,5.8303;-5.5531,3.1031,6.019;-6.6697,1.9248,6.7566;-4.7716,2.1508,7.8173;-3.7107,2.3224,7.5645;-5.0754,3.0156,8.4333;-4.9002,.8972,8.6825;-5.9306,.8438,9.0888;-4.2377,.9478,9.5617;-4.7083,-.4513,8.0213;-4.5168,-1.4643,8.7626;-5.3178,-.5867,7.1006; -739.266317103746 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000498391039 0.000120539756 0.024082077757 0.007742178825 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.105030220 0.000076944 0.000115714 0.000174595 0.000337438 0.000665058 0.000916800 0.000980392 0.001181291 0.001238400 0.001547267 0.001985981 0.002888273 0.003243801 0.003463272 0.004980269 0.005734279 0.006190457 0.006458710 0.007916398 0.008739898 0.011334497 0.011759575 0.014382786 0.017126858 0.019842212 0.023012602 0.024652810 0.028954901 0.031583593 0.032080601 0.032995749 0.037177460 0.038490055 0.040551927 0.041800411 0.043272658 0.046427780 0.047224762 0.048199638 0.050371720 0.051368748 0.051972894 0.053805889 0.054598115 0.056112229 0.056599815 0.057658719 0.057839737 0.058817782 0.061126048 0.066477244 0.070546866 0.072492497 0.074885785 0.076769267 0.077961887 0.079600683 0.080952725 0.081727098 0.090521721 0.095459129 0.099522121 0.103850079 0.105603050 0.111643113 0.112336025 0.112876979 0.113773900 0.115303617 0.120767880 0.122622576 0.129297274 0.133411302 0.138575520 0.139477602 0.143614963 0.159192253 0.163183966 0.168539997 0.170387233 0.172112750 0.178475555 0.180080260 0.188252022 0.204766009 0.211529970 0.215171863 0.219872350 0.240092870 0.256677265 0.278942384 0.312937662 0.321521974 0.361184173 0.377187867 0.401340031 0.434625653 0.469231396 0.507628639 0.525466014 0.580502410 0.609900736 0.629500384 0.649990472 0.705704337 0.760039203 0.763526896 0.765451499 0.769222661 0.772272994 0.776739969 0.778426919 0.796296089 0.798772096 0.799486219 0.807702388 0.812439257 0.823014083 0.834750432 0.848419543 0.859421375 0.861633829 0.867578778 0.868449006 0.904472748 0.906082157 0.907464041 0.910865558 0.920204597 0.923428445 0.942510547 1.042355233 1.102264585 1.277660684 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-4.8357,-1.1124,2.2181;-5.1854,-2.0378,2.7078;-4.9669,-1.2476,1.1311;-5.5027,-.2908,2.5368;-3.3796,-.8003,2.5592;-3.0441,.0625,1.9567;-2.7391,-1.6507,2.259;-3.1323,-.4816,4.0365;-3.7391,.3992,4.3172;-2.076,-.1856,4.1694;-3.4434,-1.6456,4.9731;-2.935,-2.5641,4.6266;-4.5223,-1.8938,4.957;-3.0627,-1.4835,6.4219;-1.9037,-.1063,8.2245;-1.9862,-.991,8.8757;-2.2175,.7563,8.8367;-.4432,.1287,7.8081;.1445,.3361,8.721;-.3909,1.0525,7.2016;.2172,-1.0082,7.0232;1.2546,-.7028,6.7886;-.2912,-1.1238,6.047;.2438,-2.3691,7.7285;.7826,-3.0815,7.0777;-.7841,-2.7611,7.8168;.9053,-2.3488,9.1051;.9922,-3.3691,9.5163;1.922,-1.9171,9.0568;.3231,-1.7533,9.83;-3.1415,-2.5643,7.1333;-3.7395,-2.2695,8.0341;-2.8252,-.2528,7.0347;-2.845,.6151,6.3675;-5.6057,2.1288,6.5332;-5.255,1.3582,5.8249;-5.5531,3.1008,6.0139;-6.6686,1.9223,6.7534;-4.7689,2.1484,7.8112;-3.7084,2.3205,7.557;-5.0721,3.0128,8.4279;-4.896,.8944,8.6761;-5.9264,.8394,9.0821;-4.2337,.9455,9.5555;-4.7021,-.4535,8.0144;-4.5109,-1.4668,8.7557;-5.31,-.5893,7.0927; -739.266321588814 0 FORWARD BACKWARD 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 -869.18655946 23.00388206 32.20512865 36.45305410 52.62215100 70.29974211 87.84282727 94.77372041 99.71367345 127.03665593 139.45480517 156.26278752 167.86582339 181.51021416 206.50017424 223.53521583 248.44841033 256.10815911 281.53735251 299.15352148 310.68759265 324.43614418 347.22551388 387.83927013 417.14395607 444.77629846 450.09402087 460.33429913 521.14678678 545.27378614 572.67861558 602.41432669 618.61571197 744.19402276 757.88584651 767.19550688 790.51171948 799.45938155 842.03627260 854.52367022 864.67709379 876.94369158 907.13697438 908.10849129 937.20209144 939.37184951 956.19395266 985.29946904 1000.74016771 1014.42932479 1038.50030650 1040.90108253 1060.97963457 1077.80906816 1109.83290121 1114.44722013 1126.75015658 1131.32441399 1134.39300793 1142.29745490 1149.88048007 1154.55833097 1169.19122514 1204.96957987 1217.96508330 1245.17476568 1252.39206972 1271.54266997 1282.53203639 1300.04734831 1301.64410793 1311.86726675 1326.43184372 1340.60980524 1352.00314396 1364.16962575 1372.76121102 1385.51387530 1392.51767904 1394.55280605 1404.98899289 1412.49115953 1420.51528337 1426.28360824 1431.15059103 1431.79505404 1434.35216182 1451.23505862 1464.66717816 1473.31677321 1480.12558158 1485.97275640 1487.17013180 1489.19561458 1492.49749671 1494.13431156 1498.17703598 1499.55066348 1503.49038930 1504.90904877 1507.06301306 1513.67876395 1542.76643723 1638.35047976 1685.49058391 1870.61698990 2978.89777061 3021.81932941 3022.57178436 3026.59078198 3029.47231468 3032.29299448 3032.83608138 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