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:-5.0187,-2.5299,1.7451;-5.4429,-2.4348,.731;-5.0426,-3.5995,2.0209;-3.9599,-2.2225,1.6859;-5.8054,-1.6878,2.7485;-6.8754,-1.9532,2.6807;-5.7378,-.6199,2.4664;-5.362,-1.8577,4.2038;-5.4727,-2.9113,4.5124;-6.0378,-1.2755,4.8561;-3.9201,-1.4153,4.461;-3.75,-.3855,4.0996;-3.2199,-2.0565,3.8916;-3.4942,-1.5029,5.8999;-1.8265,-.8227,7.6767;-1.5374,-1.8851,7.5934;-2.3302,-.745,8.6592;-.5847,.0682,7.6486;-.9035,1.1277,7.6281;-.0361,-.1018,6.7023;.3612,-.1361,8.832;-.1769,.0981,9.771;1.1838,.5996,8.7572;.961,-1.5395,8.934;1.4337,-1.8023,7.9684;.1567,-2.2799,9.0935;1.9862,-1.6658,10.0577;2.3981,-2.6878,10.1149;2.8307,-.9696,9.9073;1.5314,-1.4313,11.0367;-3.9174,-2.5131,6.5905;-4.2541,-2.0715,7.55;-2.7757,-.4927,6.5406;-2.5083,.3686,5.9215;-3.8083,2.747,6.0475;-2.7127,2.7665,6.1877;-4.1021,3.6994,5.5736;-4.0437,1.9399,5.3321;-4.5375,2.5609,7.3769;-4.3754,3.4582,8;-5.6267,2.5189,7.1895;-4.1316,1.3389,8.2041;-4.6753,1.3618,9.165;-3.0612,1.378,8.4694;-4.5022,-.0074,7.59;-4.6301,-1.0217,8.3449;-5.2031,.093,6.7283; -739.260888416397 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001880083844 0.000401610261 0.031848178696 0.008421829096 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.114294278 0.000072589 0.000075163 0.000128372 0.000172224 0.000310045 0.000523782 0.000664182 0.000974367 0.001115455 0.001349183 0.001845382 0.002861574 0.003371097 0.004041304 0.004139938 0.004623723 0.005579156 0.006430535 0.007164701 0.008173427 0.010982642 0.013349870 0.014356403 0.015476271 0.018477722 0.019693969 0.024539117 0.026585697 0.029677226 0.032199643 0.032700531 0.034080998 0.035796225 0.036527119 0.040085015 0.042892424 0.045594356 0.046372902 0.050071554 0.051243267 0.052072174 0.052824999 0.052989273 0.054069091 0.054564885 0.058322635 0.059330972 0.060223332 0.065142657 0.066740577 0.068171179 0.072380745 0.075233659 0.075887312 0.076317520 0.078544330 0.080966443 0.081728879 0.086924240 0.090862093 0.091097527 0.099351462 0.102158126 0.109789383 0.110583808 0.112327386 0.112944773 0.115578536 0.117486276 0.121351903 0.128972746 0.132695742 0.136898740 0.137984462 0.142314359 0.147836256 0.150178942 0.159641652 0.166641773 0.167511981 0.176948331 0.179498320 0.185210185 0.197356872 0.199544819 0.205618395 0.215934991 0.223866239 0.230456819 0.262987499 0.275181839 0.297939919 0.302041810 0.349697074 0.369496840 0.397364814 0.423303406 0.476784206 0.523843504 0.537219231 0.586479512 0.608118522 0.622310351 0.631180837 0.708525886 0.753779511 0.754789373 0.757881624 0.767521388 0.778065026 0.779957773 0.787347865 0.793879546 0.795622863 0.798205566 0.810632416 0.818970322 0.824743076 0.840302554 0.843277121 0.846456903 0.853661884 0.867354927 0.878469646 0.892903846 0.902426935 0.905254643 0.917035039 0.922104118 0.928400105 0.936908241 1.061348282 1.111259092 1.285271016 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:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/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:-5.0251,-2.5315,1.7461;-5.451,-2.4385,.7325;-5.046,-3.6008,2.0233;-3.9672,-2.2217,1.685;-5.812,-1.6899,2.7498;-6.8817,-1.9573,2.6838;-5.7468,-.6223,2.466;-5.365,-1.8565,4.2044;-5.4759,-2.909,4.5167;-6.0392,-1.2722,4.8567;-3.9217,-1.4155,4.4554;-3.7526,-.3865,4.0907;-3.2259,-2.0586,3.8832;-3.4889,-1.5029,5.8939;-1.8152,-.8194,7.6672;-1.5256,-1.8825,7.5945;-2.3288,-.7357,8.6443;-.5725,.0716,7.6508;-.8908,1.1314,7.6308;-.0163,-.0956,6.7083;.3667,-.1359,8.8396;-.176,.0952,9.7768;1.1896,.6004,8.7717;.9671,-1.5392,8.94;1.4407,-1.8002,7.9743;.163,-2.2802,9.0975;1.9918,-1.6677,10.064;2.4028,-2.6902,10.1199;2.8371,-.9721,9.9147;1.537,-1.4342,11.0432;-3.9189,-2.5037,6.5914;-4.2774,-2.0396,7.5507;-2.7537,-.4963,6.5213;-2.4767,.357,5.8947;-3.8115,2.7417,6.0535;-2.7164,2.7568,6.1975;-4.1005,3.6935,5.5757;-4.0474,1.9323,5.3409;-4.5445,2.5624,7.3813;-4.3761,3.4573,8.0061;-5.6339,2.5285,7.1931;-4.1466,1.336,8.2046;-4.6899,1.3565,9.166;-3.0762,1.3648,8.4708;-4.5155,-.0016,7.5809;-4.6368,-1.0212,8.3291;-5.2072,.0925,6.7125; -739.261113431994 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001321740716 0.000232859957 0.028479610768 0.008423392170 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.114263398 0.000067534 0.000076068 0.000125475 0.000172523 0.000315454 0.000519637 0.000668688 0.000974197 0.001113433 0.001359992 0.001814266 0.002860408 0.003384608 0.004041085 0.004121722 0.004620993 0.005566042 0.006446021 0.007139206 0.008199558 0.010939258 0.013347070 0.014442433 0.015469739 0.018502331 0.019812304 0.024549135 0.026648021 0.029677184 0.032222514 0.032699084 0.034089422 0.035795717 0.036512754 0.040086281 0.042923258 0.045594632 0.046372522 0.050071495 0.051246334 0.052077602 0.052823273 0.052988548 0.054068941 0.054558106 0.058321946 0.059329968 0.060222631 0.065143614 0.066742688 0.068175440 0.072381841 0.075233436 0.075887183 0.076317804 0.078546405 0.080967240 0.081728276 0.086938183 0.090860231 0.091098089 0.099351548 0.102160293 0.109789644 0.110593907 0.112328803 0.112947091 0.115578558 0.117486055 0.121370622 0.128973056 0.132695655 0.136901302 0.137987821 0.142324900 0.147837941 0.150178756 0.159642012 0.166641843 0.167511877 0.176947930 0.179499800 0.185211084 0.197361366 0.199544103 0.205619248 0.215939054 0.223870428 0.230456317 0.262986573 0.275221772 0.297941941 0.302066161 0.349696639 0.369560262 0.397365409 0.423341697 0.476784549 0.523843231 0.537219917 0.586480227 0.608118454 0.622314043 0.631180773 0.708531891 0.753779848 0.754789991 0.757888239 0.767521531 0.778065593 0.779957785 0.787347817 0.793879708 0.795623097 0.798205797 0.810633931 0.818970538 0.824743094 0.840302953 0.843278360 0.846456905 0.853665171 0.867355779 0.878469626 0.892903912 0.902427046 0.905257164 0.917035358 0.922106539 0.928400386 0.936921777 1.061445493 1.111277423 1.285270200 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:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/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:-5.0443,-2.536,1.7476;-5.4795,-2.4491,.7374;-5.0607,-3.6039,2.0306;-3.9874,-2.2246,1.6755;-5.8235,-1.6907,2.7542;-6.8935,-1.9594,2.6981;-5.7617,-.6242,2.4652;-5.365,-1.8512,4.2059;-5.4753,-2.9022,4.5237;-6.034,-1.2633,4.8606;-3.9188,-1.4121,4.4459;-3.7508,-.3834,4.0801;-3.2288,-2.057,3.8685;-3.4783,-1.5028,5.8827;-1.8066,-.819,7.6588;-1.5138,-1.8811,7.5861;-2.327,-.7387,8.6326;-.5654,.0749,7.6551;-.8853,1.1342,7.6371;-.0011,-.0872,6.7164;.3659,-.1354,8.8503;-.1848,.0876,9.7849;1.1859,.6052,8.7933;.973,-1.5364,8.9475;1.453,-1.7905,7.9831;.1718,-2.2822,9.0974;1.9931,-1.6656,10.0759;2.4073,-2.687,10.1296;2.8369,-.9668,9.9333;1.5335,-1.4376,11.0543;-3.9062,-2.5041,6.5783;-4.2767,-2.0368,7.5395;-2.7412,-.497,6.5095;-2.4601,.3538,5.8805;-3.808,2.7406,6.0569;-2.7133,2.7511,6.2047;-4.0921,3.6934,5.5784;-4.0445,1.9317,5.344;-4.5452,2.5626,7.3823;-4.3741,3.4546,8.0105;-5.6344,2.534,7.1919;-4.1533,1.3316,8.2012;-4.704,1.3449,9.1586;-3.085,1.3579,8.4755;-4.515,-.0021,7.5664;-4.638,-1.0248,8.3113;-5.2009,.0933,6.694; -739.261157556792 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000859475905 0.000113913598 0.026810665619 0.008424151986 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.114243603 0.000055634 0.000084010 0.000121930 0.000174468 0.000314907 0.000539611 0.000672741 0.000981632 0.001112026 0.001368832 0.001867305 0.002862273 0.003393068 0.004041818 0.004133025 0.004624637 0.005564080 0.006448860 0.007132552 0.008200176 0.010933664 0.013347282 0.014436915 0.015468850 0.018497901 0.019810633 0.024551864 0.026649789 0.029677359 0.032224421 0.032698975 0.034089686 0.035795604 0.036512178 0.040086730 0.042933826 0.045595109 0.046372559 0.050071820 0.051249535 0.052079163 0.052823734 0.052988296 0.054069619 0.054557636 0.058322755 0.059330162 0.060223271 0.065145940 0.066743316 0.068176912 0.072381847 0.075233350 0.075887299 0.076317725 0.078547087 0.080967301 0.081728209 0.086941524 0.090859871 0.091098902 0.099351521 0.102162216 0.109793740 0.110599400 0.112330064 0.112946814 0.115579231 0.117491984 0.121394379 0.128973092 0.132695913 0.136901778 0.137988910 0.142346355 0.147837790 0.150178733 0.159642194 0.166642473 0.167512152 0.176948003 0.179501148 0.185211209 0.197363979 0.199543795 0.205619272 0.215949977 0.223869944 0.230456093 0.262987005 0.275229897 0.297945078 0.302065963 0.349699720 0.369569296 0.397365235 0.423349457 0.476784483 0.523843611 0.537222229 0.586480755 0.608118519 0.622317746 0.631181109 0.708541601 0.753779893 0.754790004 0.757889698 0.767523958 0.778065582 0.779957929 0.787347845 0.793879735 0.795623959 0.798206210 0.810636672 0.818971332 0.824743144 0.840303593 0.843278353 0.846458259 0.853670220 0.867355928 0.878469776 0.892904487 0.902427094 0.905269409 0.917035634 0.922106414 0.928400354 0.936929815 1.061561405 1.111279312 1.285269892 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:-5.0643,-2.5396,1.7478;-5.5063,-2.4545,.7404;-5.082,-3.6066,2.0341;-4.0071,-2.2316,1.6675;-5.8341,-1.6891,2.7572;-6.9054,-1.9545,2.7087;-5.7707,-.6235,2.4652;-5.3671,-1.8479,4.2063;-5.4769,-2.8981,4.5263;-6.0319,-1.2583,4.8637;-3.9191,-1.4106,4.4385;-3.752,-.3814,4.0736;-3.2332,-2.0553,3.8563;-3.4718,-1.5045,5.8733;-1.7994,-.8235,7.6495;-1.4995,-1.8833,7.5707;-2.3241,-.7535,8.6219;-.5639,.0783,7.6575;-.8903,1.1357,7.6427;.0073,-.0758,6.7217;.3608,-.1318,8.8579;-.198,.0828,9.7897;1.1761,.6147,8.8104;.9767,-1.5291,8.9524;1.467,-1.7743,7.9907;.1794,-2.2813,9.0909;1.9877,-1.6576,10.089;2.4091,-2.6762,10.1402;2.8277,-.9517,9.9582;1.5178,-1.439,11.0648;-3.8974,-2.5072,6.5691;-4.2711,-2.0393,7.5304;-2.7316,-.5003,6.4991;-2.4527,.3527,5.8725;-3.796,2.7405,6.06;-2.7019,2.7494,6.2118;-4.0775,3.6956,5.5845;-4.0308,1.935,5.3427;-4.5381,2.5579,7.382;-4.369,3.4475,8.014;-5.6266,2.5306,7.1875;-4.1501,1.324,8.1983;-4.7038,1.3356,9.1542;-3.0825,1.3481,8.476;-4.5119,-.0072,7.5596;-4.6337,-1.0324,8.3007;-5.1953,.0898,6.6859; -739.261173897590 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000279798992 0.000080579805 0.025629616187 0.008423196070 0.000300000000 0.000200000000 0.001608297432 0.001072198288 -0.114255385 0.000058446 0.000077307 0.000150817 0.000175755 0.000316077 0.000531339 0.000670123 0.000979746 0.001112753 0.001366067 0.001861758 0.002862135 0.003392463 0.004041825 0.004133054 0.004624748 0.005564048 0.006452421 0.007131977 0.008201633 0.010934784 0.013347606 0.014440940 0.015469037 0.018500009 0.019817028 0.024551918 0.026664202 0.029677305 0.032229481 0.032698951 0.034090099 0.035795541 0.036512608 0.040086639 0.042936056 0.045595627 0.046373164 0.050071586 0.051251655 0.052080236 0.052823739 0.052988157 0.054069314 0.054557723 0.058322512 0.059330107 0.060225082 0.065146106 0.066743160 0.068177130 0.072381835 0.075233417 0.075886999 0.076317560 0.078547262 0.080967256 0.081729765 0.086941654 0.090859936 0.091099868 0.099351506 0.102162314 0.109794847 0.110604790 0.112330159 0.112946764 0.115579605 0.117493521 0.121410479 0.128973191 0.132696169 0.136902220 0.137988945 0.142357512 0.147838251 0.150179409 0.159642188 0.166642882 0.167512203 0.176948283 0.179501076 0.185211130 0.197364209 0.199544463 0.205619381 0.215949771 0.223876317 0.230459693 0.262987739 0.275234497 0.297946141 0.302065925 0.349700273 0.369569279 0.397365248 0.423349383 0.476784551 0.523844230 0.537224215 0.586480860 0.608119946 0.622320594 0.631181636 0.708544671 0.753780218 0.754790318 0.757890567 0.767524637 0.778065675 0.779957945 0.787347852 0.793879719 0.795623948 0.798207432 0.810637474 0.818971465 0.824743625 0.840303457 0.843278332 0.846458381 0.853670228 0.867355937 0.878470907 0.892904502 0.902427578 0.905271405 0.917037320 0.922107987 0.928400873 0.936930436 1.061570372 1.111280068 1.285269181 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:-5.0844,-2.5426,1.7481;-5.5315,-2.458,.7429;-5.1076,-3.6086,2.038;-4.0256,-2.242,1.6609;-5.843,-1.6836,2.7589;-6.9162,-1.9422,2.7172;-5.7743,-.6195,2.4632;-5.3693,-1.8411,4.206;-5.4831,-2.8901,4.529;-6.0278,-1.2464,4.8652;-3.9177,-1.4111,4.4306;-3.7472,-.3827,4.065;-3.2381,-2.0598,3.8453;-3.4657,-1.5077,5.8638;-1.7928,-.8291,7.6403;-1.4858,-1.8864,7.5546;-2.3198,-.7694,8.612;-.5629,.0803,7.6573;-.8952,1.1358,7.6431;.0148,-.0681,6.7247;.3557,-.1271,8.863;-.2103,.0823,9.7915;1.1669,.624,8.8222;.979,-1.521,8.9589;1.4782,-1.761,8.0007;.1851,-2.2781,9.0894;1.9818,-1.6464,10.1032;2.409,-2.6626,10.155;2.8185,-.9352,9.981;1.5028,-1.4334,11.0757;-3.8885,-2.5126,6.5578;-4.2638,-2.0468,7.5199;-2.7266,-.5039,6.4914;-2.4479,.3501,5.8658;-3.7867,2.7389,6.0636;-2.6928,2.745,6.2168;-4.0657,3.6965,5.5916;-4.0221,1.9366,5.3428;-4.5308,2.5523,7.3839;-4.3619,3.4396,8.0192;-5.619,2.5265,7.1877;-4.1449,1.3153,8.1964;-4.7008,1.3236,9.151;-3.0781,1.3382,8.4769;-4.505,-.014,7.5527;-4.6277,-1.041,8.2916;-5.1889,.0858,6.6796; -739.261185412898 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000213275416 0.000055394881 0.026467533359 0.008413500700 0.000300000000 0.000200000000 0.002109947821 0.001406631881 -0.114255503 0.000069864 0.000077549 0.000145526 0.000175129 0.000311894 0.000531287 0.000670751 0.000979373 0.001112695 0.001366320 0.001862869 0.002862174 0.003392392 0.004042013 0.004133079 0.004625297 0.005564027 0.006452630 0.007131911 0.008202224 0.010935273 0.013347982 0.014442219 0.015469019 0.018500654 0.019819781 0.024551996 0.026669469 0.029677288 0.032230201 0.032698932 0.034090043 0.035795475 0.036512414 0.040086605 0.042936860 0.045595721 0.046373020 0.050071512 0.051252033 0.052080260 0.052823714 0.052988076 0.054069276 0.054557457 0.058322441 0.059330228 0.060225799 0.065147433 0.066742666 0.068177100 0.072381836 0.075233270 0.075886783 0.076317554 0.078547212 0.080967206 0.081729588 0.086942083 0.090860004 0.091099848 0.099351518 0.102162554 0.109795589 0.110605806 0.112330234 0.112946776 0.115579973 0.117494123 0.121416155 0.128973579 0.132696335 0.136902286 0.137989194 0.142363637 0.147838192 0.150179315 0.159642387 0.166643267 0.167512187 0.176948298 0.179501024 0.185211202 0.197364074 0.199544501 0.205619392 0.215952321 0.223875327 0.230453783 0.262988368 0.275235386 0.297945899 0.302066014 0.349700509 0.369570203 0.397365258 0.423349829 0.476784962 0.523844281 0.537224161 0.586481346 0.608120064 0.622320917 0.631182071 0.708544953 0.753780291 0.754790926 0.757891149 0.767524943 0.778065671 0.779958129 0.787347866 0.793879770 0.795623949 0.798207246 0.810637444 0.818971497 0.824743523 0.840303499 0.843278736 0.846458678 0.853670475 0.867356253 0.878470913 0.892904907 0.902427878 0.905272372 0.917037307 0.922107789 0.928401356 0.936932579 1.061575330 1.111282471 1.285270175 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:-5.1035,-2.5438,1.7485;-5.5541,-2.4581,.745;-5.1341,-3.6088,2.0413;-4.0426,-2.252,1.6561;-5.8509,-1.6761,2.7602;-6.9263,-1.9262,2.7236;-5.775,-.6132,2.4615;-5.3726,-1.8338,4.2056;-5.492,-2.8813,4.5312;-6.0244,-1.2333,4.866;-3.9172,-1.4131,4.4241;-3.7416,-.386,4.0573;-3.2443,-2.0667,3.8366;-3.4608,-1.5123,5.8558;-1.7864,-.8353,7.6318;-1.4724,-1.8901,7.5403;-2.3158,-.785,8.6029;-.5624,.0818,7.657;-.901,1.1352,7.6429;.0213,-.0612,6.7272;.3505,-.1221,8.8675;-.2225,.0819,9.793;1.1572,.6344,8.8332;.9822,-1.5121,8.9645;1.4912,-1.7459,8.0098;.1922,-2.2749,9.086;1.976,-1.6342,10.1171;2.4101,-2.6475,10.1691;2.8084,-.9163,10.0047;1.4869,-1.4281,11.0862;-3.8818,-2.5183,6.5492;-4.2581,-2.0529,7.5119;-2.7203,-.5092,6.4832;-2.4429,.346,5.8589;-3.7774,2.7355,6.066;-2.6837,2.74,6.2202;-4.0549,3.695,5.5971;-4.0131,1.9361,5.3423;-4.5231,2.5454,7.3849;-4.3543,3.4307,8.0231;-5.6111,2.521,7.1875;-4.139,1.306,8.1946;-4.6962,1.3123,9.1485;-3.0726,1.327,8.4766;-4.4998,-.0214,7.5475;-4.6221,-1.0502,8.2837;-5.1834,.0804,6.6745; -739.261193212178 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000228294496 0.000060583855 0.024823762936 0.008425108523 0.000300000000 0.000200000000 0.001971138190 0.001314092127 -0.114255450 0.000061595 0.000081733 0.000144872 0.000187737 0.000322121 0.000532181 0.000670712 0.000979690 0.001112668 0.001366917 0.001862894 0.002862173 0.003392398 0.004042882 0.004133358 0.004625194 0.005564112 0.006452734 0.007131893 0.008202281 0.010935339 0.013347900 0.014442724 0.015468999 0.018500466 0.019820695 0.024552082 0.026672007 0.029677257 0.032230505 0.032698929 0.034090029 0.035795382 0.036512461 0.040086561 0.042937477 0.045595753 0.046372992 0.050071231 0.051252129 0.052080313 0.052823641 0.052988003 0.054069056 0.054557053 0.058322219 0.059330019 0.060225324 0.065147164 0.066741865 0.068177216 0.072381961 0.075233370 0.075886437 0.076317624 0.078547553 0.080967271 0.081729582 0.086942553 0.090860123 0.091099981 0.099351534 0.102162792 0.109795730 0.110606715 0.112330461 0.112946561 0.115580079 0.117494182 0.121418688 0.128973347 0.132696355 0.136902624 0.137989132 0.142366128 0.147838034 0.150179236 0.159642181 0.166643324 0.167512115 0.176948288 0.179501001 0.185211089 0.197364310 0.199544645 0.205619419 0.215953453 0.223879062 0.230450506 0.262989422 0.275239908 0.297945655 0.302067660 0.349701473 0.369570911 0.397365327 0.423351563 0.476784753 0.523844274 0.537224505 0.586481363 0.608120087 0.622320916 0.631182172 0.708545935 0.753780257 0.754791086 0.757891180 0.767525083 0.778065816 0.779958260 0.787347860 0.793879766 0.795624057 0.798207315 0.810638270 0.818971609 0.824743651 0.840303360 0.843279643 0.846458664 0.853670541 0.867357378 0.878473028 0.892904879 0.902427973 0.905272333 0.917037893 0.922107886 0.928401395 0.936932759 1.061579400 1.111283128 1.285269472 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:-5.121,-2.5448,1.7467;-5.5741,-2.4571,.7445;-5.1589,-3.609,2.0413;-4.0582,-2.2614,1.6505;-5.8585,-1.6699,2.7593;-6.9357,-1.9124,2.727;-5.7761,-.6081,2.4583;-5.3761,-1.8283,4.2033;-5.5,-2.8747,4.5308;-6.0228,-1.2234,4.8648;-3.9179,-1.4149,4.4168;-3.7384,-.3887,4.0495;-3.2504,-2.0721,3.8271;-3.4577,-1.5168,5.8472;-1.7803,-.8418,7.6216;-1.4602,-1.8943,7.5248;-2.3101,-.7997,8.5928;-.5612,.0817,7.652;-.9051,1.1334,7.6347;.028,-.0593,6.7255;.3462,-.1156,8.8678;-.2323,.0895,9.7894;1.1504,.6431,8.8354;.9816,-1.5031,8.9731;1.4966,-1.7384,8.0224;.1933,-2.2675,9.0924;1.9688,-1.6187,10.1319;2.4057,-2.6302,10.1901;2.7995,-.899,10.022;1.4736,-1.4108,11.097;-3.8766,-2.5246,6.5391;-4.2522,-2.0612,7.5034;-2.7166,-.5146,6.4754;-2.4403,.3414,5.8518;-3.7665,2.7325,6.0725;-2.6728,2.7333,6.2275;-4.0411,3.6947,5.6074;-4.0039,1.9367,5.3453;-4.5136,2.5387,7.3901;-4.344,3.4215,8.0316;-5.6015,2.5168,7.1916;-4.1323,1.2958,8.1958;-4.6907,1.2996,9.1489;-3.0663,1.3144,8.4796;-4.4937,-.0291,7.5442;-4.6154,-1.0602,8.2778;-5.1789,.0759,6.673; -739.261197474869 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000348650985 0.000074102172 0.033062406608 0.008417451361 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.114255409 0.000045394 0.000079964 0.000143220 0.000192114 0.000360908 0.000538900 0.000673210 0.000979824 0.001112777 0.001368418 0.001863550 0.002862172 0.003392409 0.004043139 0.004133253 0.004625278 0.005564163 0.006452690 0.007131873 0.008202358 0.010936023 0.013348109 0.014443079 0.015469004 0.018500232 0.019821796 0.024552065 0.026673161 0.029677235 0.032230544 0.032698904 0.034089998 0.035795290 0.036512422 0.040086532 0.042937891 0.045595813 0.046372947 0.050071056 0.051252243 0.052080209 0.052823843 0.052987984 0.054068937 0.054556567 0.058321983 0.059329856 0.060224972 0.065147104 0.066741361 0.068176810 0.072381895 0.075233182 0.075886197 0.076317517 0.078548317 0.080967237 0.081730378 0.086942605 0.090860123 0.091099936 0.099351517 0.102162946 0.109796003 0.110607075 0.112330413 0.112946527 0.115580087 0.117494177 0.121419664 0.128973441 0.132696751 0.136902615 0.137989099 0.142368435 0.147837888 0.150179351 0.159642711 0.166643319 0.167512057 0.176948354 0.179501005 0.185211284 0.197364805 0.199547206 0.205620342 0.215954667 0.223880284 0.230466369 0.262989653 0.275242230 0.297950167 0.302067502 0.349704640 0.369570906 0.397365317 0.423352122 0.476785121 0.523844262 0.537225070 0.586481820 0.608120375 0.622321573 0.631182089 0.708546257 0.753780262 0.754791057 0.757891697 0.767525115 0.778067386 0.779958288 0.787348152 0.793879785 0.795624029 0.798212270 0.810640315 0.818971668 0.824746963 0.840304257 0.843279541 0.846458739 0.853671112 0.867357285 0.878478457 0.892904955 0.902428038 0.905276495 0.917041319 0.922109312 0.928401531 0.936936960 1.061580285 1.111292606 1.285270688 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:-5.1362,-2.5474,1.7469;-5.5908,-2.4585,.7455;-5.182,-3.6106,2.0442;-4.0715,-2.2726,1.6478;-5.8647,-1.6642,2.7589;-6.9438,-1.8989,2.73;-5.7753,-.6039,2.4549;-5.38,-1.8223,4.2022;-5.5091,-2.8674,4.5322;-6.0218,-1.2123,4.8638;-3.9189,-1.4168,4.4116;-3.7348,-.3919,4.043;-3.2567,-2.0783,3.8208;-3.4557,-1.5204,5.8409;-1.7748,-.8483,7.6135;-1.4489,-1.8985,7.5111;-2.3063,-.8144,8.5842;-.5606,.0817,7.6511;-.9096,1.1316,7.6341;.0341,-.0544,6.7273;.341,-.1127,8.8716;-.246,.0827,9.7907;1.1388,.6541,8.8483;.9886,-1.495,8.9743;1.5195,-1.7177,8.028;.2058,-2.2691,9.077;1.9613,-1.6088,10.1461;2.4102,-2.6157,10.2001;2.7851,-.8766,10.0551;1.4491,-1.4166,11.107;-3.8746,-2.5282,6.5328;-4.2489,-2.0647,7.4983;-2.712,-.5195,6.4684;-2.4358,.3367,5.8451;-3.7623,2.7298,6.0733;-2.6682,2.7303,6.2246;-4.0382,3.6925,5.6104;-4.002,1.9348,5.346;-4.5053,2.5347,7.3929;-4.3326,3.4161,8.0354;-5.5938,2.5145,7.1978;-4.1232,1.29,8.1952;-4.6795,1.2925,9.1495;-3.0567,1.3068,8.4766;-4.4875,-.0331,7.5417;-4.6094,-1.0652,8.2735;-5.1736,.0743,6.6715; -739.261195286282 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001308009292 0.000240273836 0.028235343419 0.008428546971 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.114255385 -0.000167916 0.000080162 0.000161897 0.000206399 0.000465358 0.000576631 0.000823574 0.000982836 0.001112864 0.001371871 0.001863760 0.002863559 0.003392319 0.004043136 0.004133216 0.004625279 0.005564287 0.006452849 0.007132334 0.008202435 0.010937346 0.013347894 0.014443419 0.015469167 0.018499873 0.019822136 0.024552088 0.026673442 0.029677302 0.032230395 0.032698882 0.034089985 0.035795217 0.036512497 0.040086506 0.042937899 0.045595877 0.046372901 0.050070648 0.051252388 0.052080014 0.052823748 0.052987805 0.054069480 0.054556213 0.058321973 0.059330067 0.060224542 0.065147592 0.066739997 0.068176460 0.072382739 0.075234100 0.075886955 0.076318437 0.078555951 0.080967562 0.081731935 0.086942578 0.090860089 0.091101164 0.099351496 0.102163067 0.109796047 0.110607526 0.112330375 0.112946655 0.115580029 0.117494097 0.121419566 0.128973163 0.132697250 0.136902711 0.137989161 0.142369651 0.147837675 0.150179826 0.159647586 0.166643285 0.167512589 0.176948374 0.179501366 0.185211227 0.197366988 0.199584495 0.205624882 0.216000207 0.223905553 0.230624436 0.263005047 0.275256941 0.298004567 0.302074512 0.349730669 0.369575234 0.397365389 0.423357096 0.476788372 0.523845084 0.537238151 0.586483722 0.608120669 0.622321598 0.631181995 0.708546412 0.753780839 0.754791992 0.757891894 0.767528989 0.778079545 0.779958301 0.787348270 0.793880004 0.795624736 0.798229032 0.810649843 0.818971901 0.824754803 0.840304259 0.843279447 0.846458958 0.853671365 0.867358626 0.878533073 0.892905226 0.902428822 0.905310782 0.917055771 0.922121343 0.928401547 0.936937503 1.061583737 1.111294148 1.285273669 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:-5.1528,-2.5476,1.7454;-5.6095,-2.4567,.7451;-5.208,-3.6097,2.0452;-4.0855,-2.2833,1.6425;-5.8699,-1.6551,2.7577;-6.9513,-1.8803,2.733;-5.772,-.5963,2.4506;-5.3817,-1.8138,4.1998;-5.5169,-2.8573,4.5321;-6.0175,-1.198,4.862;-3.917,-1.4176,4.4044;-3.7276,-.394,4.035;-3.2613,-2.0839,3.8115;-3.4503,-1.5244,5.8324;-1.7677,-.8539,7.6048;-1.4362,-1.9019,7.4974;-2.3,-.8276,8.5752;-.5583,.0821,7.6475;-.9121,1.1303,7.6276;.0415,-.0522,6.7267;.3384,-.1062,8.8726;-.2509,.0962,9.7876;1.1368,.6583,8.8469;.9828,-1.4884,8.988;1.5099,-1.7214,8.0444;.1994,-2.2577,9.0997;1.9568,-1.5951,10.158;2.3998,-2.6032,10.2246;2.7828,-.8708,10.0557;1.4499,-1.3883,11.116;-3.867,-2.5342,6.5225;-4.2409,-2.073,7.4898;-2.7066,-.5245,6.4611;-2.4322,.3334,5.8392;-3.7588,2.7253,6.0773;-2.6645,2.7262,6.2269;-4.0361,3.6891,5.6171;-3.9992,1.9321,5.3482;-4.4998,2.5265,7.3976;-4.326,3.406,8.0424;-5.5885,2.5068,7.2041;-4.1167,1.2794,8.1959;-4.6723,1.2788,9.1507;-3.05,1.2956,8.4768;-4.481,-.0417,7.5387;-4.6012,-1.0765,8.2676;-5.1685,.0677,6.67; -739.261191928634 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001694525848 0.000307693031 0.030612138888 0.008443868198 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.114255324 -0.000191294 0.000086889 0.000162910 0.000207368 0.000456969 0.000571795 0.000974921 0.001055034 0.001120009 0.001370709 0.001863744 0.002871401 0.003392966 0.004044697 0.004133234 0.004625802 0.005564654 0.006456594 0.007135427 0.008202379 0.010939155 0.013347848 0.014443917 0.015469256 0.018499771 0.019822129 0.024552517 0.026673355 0.029677463 0.032230611 0.032698847 0.034090157 0.035795106 0.036512844 0.040087115 0.042937888 0.045595867 0.046372954 0.050070737 0.051252385 0.052079955 0.052823631 0.052987699 0.054070062 0.054555362 0.058323492 0.059329797 0.060223703 0.065147780 0.066741070 0.068179692 0.072382778 0.075237375 0.075892993 0.076325686 0.078570461 0.080969628 0.081734437 0.086942568 0.090860354 0.091105923 0.099351460 0.102163063 0.109796306 0.110607564 0.112330699 0.112948692 0.115580024 0.117494714 0.121421527 0.128973872 0.132698309 0.136902251 0.137990614 0.142371818 0.147838460 0.150180673 0.159659539 0.166643264 0.167513885 0.176950509 0.179502246 0.185211978 0.197382669 0.199738191 0.205635597 0.216026176 0.223950909 0.231078938 0.263018011 0.275262664 0.298165439 0.302089968 0.349839665 0.369587043 0.397367515 0.423365571 0.476798571 0.523846746 0.537269139 0.586496178 0.608121206 0.622321648 0.631185250 0.708546382 0.753784158 0.754792271 0.757892213 0.767542240 0.778124638 0.779958898 0.787348327 0.793880871 0.795624627 0.798277922 0.810663733 0.818972041 0.824773207 0.840304483 0.843284817 0.846460210 0.853674191 0.867360964 0.878694631 0.892906643 0.902428945 0.905403840 0.917075483 0.922147890 0.928402275 0.936943069 1.061588149 1.111295987 1.285285319 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:-5.1652,-2.5436,1.744;-5.6231,-2.4497,.7445;-5.2244,-3.6053,2.0432;-4.0974,-2.2839,1.6397;-5.8763,-1.6492,2.7577;-6.9583,-1.8702,2.7354;-5.7754,-.591,2.4507;-5.3853,-1.8102,4.1986;-5.5227,-2.8533,4.5308;-6.0176,-1.1929,4.8622;-3.9192,-1.4186,4.3998;-3.7279,-.3954,4.0306;-3.267,-2.0863,3.805;-3.449,-1.5279,5.8265;-1.7616,-.8587,7.5955;-1.4305,-1.9065,7.4879;-2.2903,-.8322,8.5672;-.5524,.0766,7.6345;-.9061,1.1246,7.6049;.0502,-.0648,6.7172;.339,-.102,8.8649;-.2558,.1063,9.7756;1.1369,.6636,8.8382;.9849,-1.4828,8.9935;1.5256,-1.7188,8.0564;.2006,-2.2544,9.0985;1.945,-1.5805,10.1776;2.3938,-2.5862,10.2506;2.7693,-.8493,10.0863;1.4217,-1.3754,11.1299;-3.8638,-2.5391,6.5157;-4.2347,-2.0799,7.485;-2.7039,-.5286,6.4551;-2.4316,.3303,5.8336;-3.7543,2.7218,6.0822;-2.6597,2.7215,6.2305;-4.0315,3.687,5.6248;-3.9962,1.9306,5.3514;-4.4936,2.5199,7.403;-4.3191,3.398,8.0495;-5.5827,2.5007,7.2108;-4.1094,1.2711,8.198;-4.6638,1.2685,9.1535;-3.0424,1.2867,8.4775;-4.4749,-.0487,7.5388;-4.5926,-1.0848,8.266;-5.165,.0626,6.6726; -739.261190823597 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001048506705 0.000217935672 0.026053100838 0.008470754164 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.114255192 -0.000123889 0.000086358 0.000168563 0.000219165 0.000459033 0.000579327 0.000978795 0.001091310 0.001239458 0.001371022 0.001867315 0.002880905 0.003394438 0.004044736 0.004134661 0.004625416 0.005565111 0.006466335 0.007135503 0.008203704 0.010938813 0.013347961 0.014444297 0.015469252 0.018499097 0.019827592 0.024554379 0.026673292 0.029677714 0.032230508 0.032698858 0.034090657 0.035795534 0.036513170 0.040091319 0.042938228 0.045595959 0.046372900 0.050070327 0.051252536 0.052081372 0.052830563 0.052987586 0.054072640 0.054554934 0.058324470 0.059333986 0.060222835 0.065150365 0.066740777 0.068181807 0.072382790 0.075239199 0.075902386 0.076347272 0.078575000 0.080972888 0.081734061 0.086943080 0.090862295 0.091121099 0.099351466 0.102163040 0.109796783 0.110607610 0.112332290 0.112950450 0.115580207 0.117500602 0.121428330 0.128973683 0.132698225 0.136902797 0.137991958 0.142373501 0.147838754 0.150181488 0.159658113 0.166643238 0.167513844 0.176956490 0.179505742 0.185234571 0.197399537 0.199941792 0.205648759 0.216027575 0.223963930 0.231229601 0.263018258 0.275264009 0.298317859 0.302110926 0.350015813 0.369605690 0.397372110 0.423371971 0.476798884 0.523846789 0.537285762 0.586518890 0.608121453 0.622322090 0.631206369 0.708550063 0.753796125 0.754793836 0.757895339 0.767564253 0.778171243 0.779959608 0.787348490 0.793880926 0.795625783 0.798278200 0.810670048 0.818973881 0.824776240 0.840305324 0.843292102 0.846462626 0.853675166 0.867368147 0.878864403 0.892906691 0.902432717 0.905403096 0.917075501 0.922163767 0.928405317 0.936943232 1.061588538 1.111301017 1.285284833 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:-5.1493,-2.5455,1.7453;-5.6054,-2.4544,.7448;-5.2015,-3.608,2.0437;-4.083,-2.278,1.6439;-5.8695,-1.657,2.7581;-6.95,-1.8852,2.7322;-5.7746,-.5977,2.4526;-5.3819,-1.8164,4.2003;-5.5149,-2.8605,4.5313;-6.0193,-1.203,4.8628;-3.9185,-1.4174,4.406;-3.7311,-.3933,4.0372;-3.261,-2.0817,3.8133;-3.4521,-1.5238,5.8341;-1.7687,-.8528,7.6054;-1.4402,-1.9019,7.5006;-2.299,-.8224,8.5766;-.5569,.0798,7.6436;-.9082,1.1288,7.6208;.0413,-.0588,6.7227;.3403,-.1073,8.8684;-.249,.0967,9.7836;1.1393,.6572,8.8417;.9844,-1.4898,8.9851;1.5156,-1.7225,8.0424;.1999,-2.2602,9.0938;1.9548,-1.5956,10.1591;2.4002,-2.603,10.2246;2.7804,-.8677,10.062;1.4422,-1.392,11.1166;-3.8689,-2.5334,6.5244;-4.2418,-2.0723,7.4918;-2.7083,-.5236,6.4624;-2.4341,.3341,5.8401;-3.7586,2.7259,6.0779;-2.6643,2.7262,6.2283;-4.0351,3.6899,5.6175;-3.999,1.9328,5.3487;-4.5004,2.5274,7.3978;-4.3273,3.4072,8.0423;-5.5891,2.5075,7.2036;-4.1175,1.2807,8.1967;-4.6733,1.2807,9.1514;-3.0508,1.2971,8.4777;-4.4819,-.0408,7.5404;-4.6015,-1.0751,8.2699;-5.1698,.0683,6.672; -739.261197831017 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000249641796 0.000056804723 0.024223121607 0.008447197650 0.000300000000 0.000200000000 0.001802582773 0.001201721849 -0.114255189 0.000005267 0.000059280 0.000157412 0.000204252 0.000470189 0.000590651 0.000902995 0.000983364 0.001172665 0.001372835 0.001874201 0.002885609 0.003399014 0.004042661 0.004138581 0.004625658 0.005565370 0.006480467 0.007134670 0.008205440 0.010937250 0.013348243 0.014445454 0.015469400 0.018499459 0.019834185 0.024558401 0.026672572 0.029677952 0.032230731 0.032698939 0.034092237 0.035796000 0.036514755 0.040099141 0.042938979 0.045596064 0.046372956 0.050072115 0.051252605 0.052082538 0.052838355 0.052987842 0.054071715 0.054556044 0.058330591 0.059342337 0.060224136 0.065154657 0.066738029 0.068188878 0.072383453 0.075239989 0.075916502 0.076381074 0.078578739 0.080978159 0.081731096 0.086943911 0.090864508 0.091142777 0.099351554 0.102163087 0.109797810 0.110607570 0.112336152 0.112953168 0.115580563 0.117508671 0.121438556 0.128973521 0.132697727 0.136904499 0.137995101 0.142377971 0.147843190 0.150180625 0.159651036 0.166643305 0.167513100 0.176967418 0.179511319 0.185258600 0.197423064 0.200223910 0.205673310 0.216031661 0.223964273 0.231338537 0.263018514 0.275265780 0.298477041 0.302133007 0.350229695 0.369621258 0.397377303 0.423378992 0.476798124 0.523846638 0.537299215 0.586548294 0.608121654 0.622322472 0.631233878 0.708553718 0.753807948 0.754795074 0.757898412 0.767584552 0.778216151 0.779960343 0.787348642 0.793881155 0.795630138 0.798275058 0.810679641 0.818977941 0.824777062 0.840306379 0.843307412 0.846465527 0.853676942 0.867383145 0.879018912 0.892906702 0.902441193 0.905397376 0.917075052 0.922177163 0.928406816 0.936943001 1.061588890 1.111308943 1.285285972 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:-5.1342,-2.5512,1.7489;-5.5868,-2.4634,.7465;-5.1862,-3.6133,2.0498;-4.0676,-2.2824,1.6504;-5.8596,-1.6605,2.757;-6.94,-1.8898,2.7275;-5.7642,-.6015,2.4494;-5.3777,-1.8159,4.2015;-5.5114,-2.8595,4.5345;-6.0181,-1.2011,4.8602;-3.915,-1.4154,4.4117;-3.7268,-.3917,4.0419;-3.2548,-2.0805,3.8225;-3.4536,-1.5189,5.8416;-1.7753,-.8455,7.6162;-1.452,-1.8966,7.5164;-2.3057,-.8079,8.587;-.5591,.0813,7.6503;-.9058,1.132,7.6323;.0334,-.0575,6.7257;.3444,-.1135,8.8693;-.2389,.0878,9.7889;1.1454,.649,8.8412;.9858,-1.4983,8.9756;1.5099,-1.7282,8.0282;.2002,-2.2672,9.0864;1.9641,-1.6118,10.1424;2.4072,-2.6208,10.2003;2.7912,-.8858,10.0426;1.4589,-1.4109,11.1044;-3.872,-2.5276,6.5324;-4.2472,-2.0653,7.4981;-2.7122,-.5175,6.4706;-2.4367,.3396,5.848;-3.7698,2.7297,6.0735;-2.6757,2.7334,6.2247;-4.0485,3.6913,5.6099;-4.0074,1.9336,5.3467;-4.512,2.5335,7.3935;-4.3411,3.4155,8.0356;-5.6005,2.5107,7.1987;-4.1268,1.2898,8.196;-4.6827,1.2912,9.1507;-3.0602,1.3091,8.4768;-4.4886,-.034,7.5426;-4.6091,-1.0666,8.2743;-5.1747,.0722,6.6723; -739.261198198298 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000506927309 0.000101298883 0.026677555783 0.006058799581 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.114255874 0.000031315 0.000077791 0.000167243 0.000204820 0.000443370 0.000597377 0.000805187 0.000981220 0.001164618 0.001367971 0.001878599 0.002884288 0.003399804 0.004044808 0.004138916 0.004624903 0.005565376 0.006481089 0.007134936 0.008205676 0.010938302 0.013347933 0.014445883 0.015469318 0.018501099 0.019835886 0.024558295 0.026672365 0.029677899 0.032231020 0.032699067 0.034092575 0.035796788 0.036515296 0.040099888 0.042939257 0.045596065 0.046373137 0.050071894 0.051252701 0.052082647 0.052838742 0.052988267 0.054077260 0.054557830 0.058339276 0.059343670 0.060224688 0.065157425 0.066747069 0.068199207 0.072383442 0.075240923 0.075915894 0.076378541 0.078580943 0.080980382 0.081733241 0.086943930 0.090864544 0.091140932 0.099351665 0.102163179 0.109798483 0.110607698 0.112338121 0.112952717 0.115580627 0.117509067 0.121438949 0.128976781 0.132698270 0.136905015 0.137995674 0.142378701 0.147845232 0.150182530 0.159657173 0.166643524 0.167512482 0.176967356 0.179511311 0.185264281 0.197423801 0.200210650 0.205671128 0.216041819 0.223969087 0.231517845 0.263020994 0.275265806 0.298473316 0.302130853 0.350223307 0.369625236 0.397377411 0.423378300 0.476801122 0.523847979 0.537300870 0.586547730 0.608121840 0.622323874 0.631235312 0.708560808 0.753808449 0.754797222 0.757898500 0.767584373 0.778215017 0.779961325 0.787348685 0.793881605 0.795632003 0.798284934 0.810694344 0.818978208 0.824788586 0.840306718 0.843325030 0.846465543 0.853678790 0.867397416 0.879015624 0.892907487 0.902441872 0.905425817 0.917078138 0.922178523 0.928405498 0.936944483 1.061592629 1.111313871 1.285297747 13 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:-5.1311,-2.5393,1.7443;-5.5872,-2.4487,.7437;-5.1683,-3.6043,2.036;-4.0687,-2.2558,1.6458;-5.8655,-1.6674,2.7616;-6.9428,-1.9098,2.732;-5.7841,-.6049,2.4632;-5.3787,-1.8298,4.2037;-5.5016,-2.877,4.5288;-6.0233,-1.2267,4.8688;-3.9198,-1.417,4.4139;-3.741,-.3905,4.047;-3.254,-2.0737,3.8218;-3.4562,-1.5202,5.8431;-1.7757,-.8465,7.6154;-1.4525,-1.8978,7.5158;-2.306,-.8086,8.5864;-.5593,.0804,7.649;-.9059,1.1311,7.6295;.0337,-.0597,6.7248;.3437,-.1128,8.8686;-.2397,.0903,9.7876;1.1451,.6491,8.8394;.9839,-1.4978,8.9774;1.5076,-1.7297,8.0306;.1978,-2.2658,9.0896;1.9619,-1.6103,10.1442;2.4035,-2.6197,10.2043;2.7897,-.886,10.0425;1.4575,-1.4069,11.1056;-3.8747,-2.5279,6.5356;-4.2489,-2.064,7.5007;-2.713,-.5189,6.4701;-2.4372,.3372,5.8463;-3.7628,2.7299,6.0719;-2.6689,2.7308,6.2241;-4.0386,3.6923,5.608;-4.0018,1.9345,5.3448;-4.5068,2.5355,7.3911;-4.335,3.4175,8.033;-5.5952,2.5147,7.1952;-4.1248,1.2916,8.1947;-4.6813,1.295,9.149;-3.0583,1.309,8.4764;-4.4886,-.0322,7.5425;-4.6101,-1.0638,8.2753;-5.1748,.074,6.6722; -739.261198686907 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000192106659 0.000040642286 0.019937310459 0.004316922091 0.000300000000 0.000200000000 0.002342448730 0.001561632487 -0.114255492 0.000057202 0.000138143 0.000170697 0.000207903 0.000411163 0.000569099 0.000781243 0.000981205 0.001164331 0.001368000 0.001878431 0.002886528 0.003400432 0.004045976 0.004138739 0.004625320 0.005565869 0.006481487 0.007135174 0.008205659 0.010939463 0.013348054 0.014445840 0.015469359 0.018501394 0.019836369 0.024558332 0.026672649 0.029678171 0.032231122 0.032699056 0.034092544 0.035796804 0.036515252 0.040099917 0.042939454 0.045596083 0.046373144 0.050071875 0.051252787 0.052083039 0.052839199 0.052988622 0.054077970 0.054558593 0.058339078 0.059343514 0.060224383 0.065161016 0.066747942 0.068199222 0.072383733 0.075242927 0.075916596 0.076380653 0.078585861 0.080980066 0.081735118 0.086943912 0.090864435 0.091143009 0.099351715 0.102163189 0.109798461 0.110607676 0.112338502 0.112952816 0.115580715 0.117509106 0.121438911 0.128976911 0.132698838 0.136905219 0.137995593 0.142378601 0.147845250 0.150184946 0.159661117 0.166643483 0.167515357 0.176967381 0.179511273 0.185264422 0.197425353 0.200229348 0.205670749 0.216079680 0.224009182 0.231633830 0.263036450 0.275265966 0.298517484 0.302142595 0.350234196 0.369634757 0.397379090 0.423379453 0.476804870 0.523847938 0.537317101 0.586549071 0.608123474 0.622324151 0.631235412 0.708560656 0.753808694 0.754798495 0.757898644 0.767587353 0.778223509 0.779961731 0.787348648 0.793883714 0.795633396 0.798300496 0.810703640 0.818978693 0.824795673 0.840307755 0.843327318 0.846465678 0.853679037 0.867408518 0.879046233 0.892908690 0.902444123 0.905450621 0.917077558 0.922191132 0.928410297 0.936945156 1.061592726 1.111314187 1.285298445 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:-5.1345,-2.5491,1.7472;-5.5881,-2.4612,.7452;-5.1817,-3.6118,2.046;-4.0695,-2.2757,1.6487;-5.8628,-1.6639,2.7572;-6.942,-1.8976,2.7278;-5.7722,-.6042,2.4517;-5.3793,-1.8204,4.2011;-5.509,-2.8649,4.5323;-6.0213,-1.2093,4.8613;-3.9183,-1.4152,4.4112;-3.7339,-.3904,4.0428;-3.2561,-2.0767,3.8205;-3.4554,-1.5194,5.8405;-1.7747,-.8473,7.6134;-1.4498,-1.8978,7.5115;-2.3052,-.8124,8.5845;-.5597,.0816,7.6492;-.9079,1.1318,7.6309;.0342,-.0564,6.7252;.3425,-.112,8.8693;-.242,.0895,9.7881;1.1431,.651,8.8416;.9843,-1.4964,8.9771;1.5088,-1.7269,8.0303;.1989,-2.2654,9.0882;1.9619,-1.6087,10.1442;2.4048,-2.6177,10.2035;2.7889,-.8831,10.0437;1.4567,-1.4068,11.1056;-3.8736,-2.528,6.5316;-4.2476,-2.0657,7.4977;-2.7125,-.5185,6.4688;-2.4371,.3384,5.846;-3.7637,2.7301,6.0755;-2.6696,2.731,6.2273;-4.0399,3.693,5.6128;-4.0028,1.9354,5.3476;-4.5071,2.5339,7.3949;-4.3351,3.4151,8.0378;-5.5955,2.513,7.1994;-4.1244,1.289,8.1968;-4.6809,1.2907,9.1511;-3.0579,1.3064,8.4785;-4.4878,-.034,7.5428;-4.6084,-1.0668,8.2741;-5.1744,.0732,6.6731; -739.261199067401 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 -972.00681965 23.24065219 28.09472076 41.76564153 43.70677728 55.54227529 69.74943360 86.22741475 96.19762641 100.93551086 120.15578722 133.40957770 177.02030545 200.57852810 204.14383190 239.75502090 249.55668726 267.01423366 269.05018635 274.28064744 295.04210840 306.16339014 319.73392711 331.68441147 394.99455638 415.51145725 433.52878246 449.08725131 498.63421130 547.29067211 568.03158547 621.24420666 724.83283236 741.80542735 755.60125709 773.62514804 778.93191748 787.01750149 815.55026024 858.17884095 872.12833468 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