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:-2.4933,-1.7336,2.8633;-2.1924,-2.691,3.3234;-2.3912,-.949,3.6328;-1.7734,-1.4986,2.0606;-3.9169,-1.8072,2.312;-3.9277,-2.4765,1.4328;-4.2176,-.8102,1.938;-4.9737,-2.3142,3.2982;-4.7329,-3.3447,3.6134;-5.9453,-2.363,2.7769;-5.1565,-1.4534,4.5588;-6.0892,-1.7681,5.0647;-5.2648,-.3896,4.2883;-4.046,-1.6125,5.5597;-1.9838,-.6541,6.6555;-1.4444,-1.3129,5.9483;-1.9162,-1.1628,7.6337;-1.2985,.7097,6.6976;-1.8211,1.3579,7.4269;-1.4236,1.1991,5.7132;.1919,.68,7.0432;.5637,1.7182,6.9838;.738,.1187,6.2607;.5363,.096,8.4253;-.2984,.296,9.1247;1.4062,.6376,8.8374;.8627,-1.3978,8.4282;1.7337,-1.6079,7.782;1.1092,-1.7466,9.4459;.022,-2.0099,8.0624;-3.7574,-2.8243,5.9164;-3.6792,-2.7849,7.006;-3.4342,-.5449,6.2178;-3.7745,.4486,5.9058;-4.4828,2.532,9.5673;-4.9815,2.23,10.5053;-4.9016,3.5058,9.2614;-3.4119,2.6827,9.7933;-4.6687,1.4785,8.477;-5.7454,1.3688,8.2486;-4.1916,1.836,7.5481;-4.0935,.1225,8.8759;-4.5219,-.1775,9.8526;-3.0034,.1785,9.0405;-4.4101,-1.0541,7.9683;-3.9032,-2.1855,8.2456;-5.4533,-1.0223,7.5737; -739.262117913103 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.003826385930 0.000568506777 0.036915851659 0.008421559210 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.125728412 0.000096721 0.000115592 0.000204294 0.000219520 0.000442685 0.000520734 0.000644247 0.000955799 0.001265152 0.002068013 0.002293317 0.002707753 0.002941716 0.003365846 0.003685451 0.005865362 0.006370936 0.007018977 0.008027832 0.008779182 0.010196943 0.011354928 0.013715220 0.015303972 0.017609094 0.020135427 0.020619634 0.027479459 0.029755257 0.031038735 0.033365980 0.035904169 0.038996785 0.040268403 0.042611168 0.045003459 0.047189665 0.048360240 0.049645466 0.050472581 0.051171874 0.052700723 0.053219512 0.054171326 0.055468971 0.056185190 0.060249656 0.065055757 0.066179132 0.067446274 0.069633531 0.069959200 0.073327580 0.076242071 0.076802558 0.077561597 0.081350674 0.082624573 0.090310490 0.093026319 0.094570848 0.097478262 0.099393491 0.103459946 0.105652072 0.111321421 0.113924267 0.115424041 0.116275517 0.117642191 0.124858844 0.132305580 0.135691451 0.139963563 0.143111799 0.147591533 0.154584047 0.156832455 0.163275258 0.169185014 0.177809900 0.179642886 0.188546730 0.194715128 0.199468757 0.205061504 0.214798794 0.222535675 0.229099811 0.260283921 0.282618311 0.299529466 0.313088321 0.348884175 0.363690158 0.389737015 0.408790082 0.471244980 0.516673442 0.552923397 0.572692440 0.609831696 0.617294540 0.641885895 0.699681033 0.747143983 0.756161597 0.767991123 0.771756708 0.775803703 0.778382051 0.779420765 0.791426855 0.793051051 0.799735915 0.805895949 0.809803639 0.826219376 0.827279683 0.851366974 0.853095539 0.854427209 0.875887368 0.882388809 0.898680671 0.900490226 0.903779346 0.916413077 0.922253138 0.927059476 0.935151595 1.051148237 1.085245914 1.277047022 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:-2.4932,-1.7362,2.8595;-2.1949,-2.6929,3.3227;-2.3828,-.949,3.625;-1.7766,-1.5088,2.0515;-3.9202,-1.8051,2.3154;-3.9357,-2.472,1.4344;-4.2204,-.8065,1.9451;-4.9756,-2.314,3.3023;-4.7304,-3.343,3.6193;-5.9463,-2.3678,2.7796;-5.1643,-1.455,4.563;-6.0919,-1.7818,5.0708;-5.2865,-.3923,4.2929;-4.0441,-1.6062,5.5561;-1.9788,-.6444,6.6479;-1.4311,-1.3092,5.9524;-1.9246,-1.1497,7.6288;-1.2888,.7173,6.6964;-1.8132,1.3655,7.4246;-1.4081,1.2092,5.7125;.2004,.6842,7.0474;.5745,1.7217,6.9913;.7479,.1235,6.2654;.5398,.0965,8.4291;-.2958,.298,9.127;1.4106,.6346,8.8442;.8615,-1.3983,8.4295;1.7326,-1.6096,7.7838;1.106,-1.7498,9.4468;.0195,-2.0071,8.0612;-3.7547,-2.8154,5.9225;-3.7009,-2.7656,7.0301;-3.4201,-.5324,6.1882;-3.7557,.4605,5.8689;-4.4824,2.5265,9.5638;-4.9818,2.2308,10.5035;-4.8988,3.4996,9.2527;-3.4111,2.6754,9.7884;-4.6721,1.4686,8.4791;-5.7491,1.3603,8.2517;-4.194,1.8178,7.5478;-4.0998,.1131,8.8825;-4.5217,-.1799,9.8646;-3.0081,.1637,9.0384;-4.4254,-1.0585,7.9796;-3.9098,-2.1883,8.2376;-5.4611,-1.0285,7.5703; -739.262366773193 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001915842668 0.000343195314 0.023950558631 0.008422752347 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.126121152 0.000066432 0.000101133 0.000201951 0.000208521 0.000439818 0.000487499 0.000644307 0.000956560 0.001263179 0.002061675 0.002289190 0.002790889 0.002953047 0.003368905 0.003687839 0.005820388 0.006375726 0.007500710 0.008259938 0.009051345 0.010753414 0.011436859 0.013782433 0.015508626 0.017614229 0.020232302 0.021614560 0.027482186 0.029849065 0.031043570 0.033389083 0.035917945 0.039004716 0.040269383 0.042812175 0.045029934 0.047492001 0.048377762 0.049645514 0.050605260 0.051178046 0.052783398 0.053231526 0.054177188 0.055470459 0.056192177 0.060285025 0.065081810 0.066195410 0.067458019 0.069633832 0.069962930 0.073328794 0.076242427 0.076808506 0.077564987 0.081350679 0.082626431 0.090310407 0.093048660 0.094593213 0.097480330 0.099408598 0.103460357 0.105794018 0.111368826 0.113925494 0.115425217 0.116307778 0.117654090 0.125073748 0.132306503 0.135691319 0.140019326 0.143227914 0.147618330 0.154584565 0.156860661 0.163292958 0.169185936 0.177827706 0.179652885 0.188547272 0.194775795 0.199474762 0.205091114 0.214798848 0.222580279 0.229122880 0.260285488 0.282617080 0.300092747 0.313095884 0.348970430 0.363791098 0.389902271 0.408814458 0.471256010 0.516689265 0.552934873 0.572692174 0.609844706 0.617295489 0.641908690 0.699716981 0.747144394 0.756162848 0.767991825 0.771808157 0.775804469 0.778386066 0.779427232 0.791426956 0.793053556 0.799742366 0.805920449 0.809804649 0.826228715 0.827302554 0.851368027 0.853097792 0.854440506 0.875891181 0.882389027 0.898680814 0.900490765 0.903830972 0.916422817 0.922252982 0.927071401 0.935176123 1.051283788 1.085259376 1.277068660 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:-2.5002,-1.7462,2.8463;-2.2061,-2.7052,3.3076;-2.3754,-.9593,3.6102;-1.7889,-1.5264,2.0314;-3.9328,-1.8035,2.3147;-3.9596,-2.4642,1.4292;-4.2314,-.8007,1.9543;-4.9816,-2.3145,3.3073;-4.7321,-3.3429,3.623;-5.9554,-2.3704,2.7906;-5.1641,-1.4567,4.5692;-6.0845,-1.7907,5.0858;-5.2971,-.3947,4.3014;-4.0366,-1.6044,5.5546;-1.9704,-.635,6.6417;-1.4204,-1.2945,5.9436;-1.9174,-1.1461,7.6191;-1.2805,.727,6.7008;-1.8083,1.3723,7.4291;-1.3923,1.2244,5.7187;.2074,.6915,7.0608;.582,1.7294,7.0135;.7602,.136,6.2788;.5401,.0959,8.4409;-.2969,.2972,9.1371;1.4116,.6289,8.8613;.857,-1.4,8.4356;1.73,-1.6112,7.7925;1.0962,-1.7571,9.4523;.0146,-2.0045,8.0612;-3.7456,-2.8112,5.9212;-3.6958,-2.7618,7.0316;-3.4134,-.5279,6.1858;-3.7472,.4631,5.8567;-4.4806,2.5253,9.5559;-4.9766,2.2355,10.4993;-4.8951,3.4982,9.2418;-3.4077,2.6713,9.7745;-4.6785,1.4633,8.4771;-5.7571,1.3536,8.2578;-4.2068,1.8073,7.5407;-4.1035,.1098,8.8804;-4.5277,-.1889,9.8595;-3.0127,.1624,9.04;-4.4194,-1.0571,7.9689;-3.9017,-2.1867,8.2315;-5.4553,-1.0309,7.5601; -739.262420841060 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000519139950 0.000154570543 0.025670187515 0.008423209340 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.126208829 0.000048263 0.000120660 0.000193704 0.000206301 0.000437539 0.000467351 0.000644879 0.000962500 0.001273282 0.002050884 0.002315917 0.002807725 0.002958396 0.003367982 0.003691237 0.005982132 0.006428953 0.007494254 0.008258972 0.009035586 0.010797037 0.011435762 0.013781979 0.015507647 0.017613893 0.020232560 0.021650541 0.027481893 0.029860570 0.031045555 0.033389819 0.035926036 0.039010061 0.040269098 0.042837511 0.045037080 0.047536295 0.048382125 0.049645530 0.050647580 0.051177643 0.052807580 0.053232011 0.054180346 0.055470358 0.056191422 0.060295035 0.065106071 0.066196626 0.067462866 0.069633713 0.069973005 0.073329022 0.076242473 0.076811135 0.077564866 0.081351195 0.082627621 0.090310394 0.093050049 0.094600887 0.097480277 0.099408549 0.103460189 0.105810340 0.111370412 0.113926018 0.115426549 0.116314751 0.117654183 0.125122758 0.132309018 0.135691255 0.140020493 0.143262823 0.147640818 0.154586853 0.156860394 0.163295887 0.169185608 0.177839248 0.179652888 0.188550738 0.194779203 0.199488569 0.205093134 0.214805539 0.222580308 0.229141507 0.260299517 0.282620511 0.300152010 0.313096821 0.348998266 0.363859584 0.389902389 0.408847994 0.471258180 0.516689247 0.552937816 0.572708121 0.609878232 0.617298591 0.641909509 0.699725427 0.747149039 0.756172445 0.767995414 0.771812129 0.775810903 0.778393741 0.779435329 0.791430728 0.793056664 0.799742805 0.805938229 0.809805358 0.826229439 0.827310425 0.851391705 0.853097978 0.854445608 0.875892466 0.882391397 0.898680793 0.900502671 0.903851615 0.916444069 0.922255133 0.927082602 0.935186470 1.051289222 1.085268553 1.277071694 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:27,1,24,5,21,8,18,15,11,33,14,31;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:-2.5108,-1.7554,2.8305;-2.2162,-2.7181,3.2833;-2.3771,-.9741,3.5984;-1.8059,-1.5327,2.0111;-3.948,-1.8045,2.3108;-3.9853,-2.4615,1.4231;-4.2457,-.7992,1.957;-4.9898,-2.3148,3.3112;-4.7393,-3.3436,3.6243;-5.9678,-2.3689,2.8022;-5.1611,-1.457,4.5746;-6.077,-1.7906,5.0989;-5.2963,-.3954,4.3075;-4.0253,-1.6036,5.551;-1.962,-.6306,6.6418;-1.4072,-1.2876,5.9446;-1.9124,-1.1432,7.619;-1.2754,.7326,6.7081;-1.8087,1.3745,7.4356;-1.383,1.2327,5.7271;.2103,.6988,7.0766;.5825,1.738,7.0375;.7692,.1491,6.2947;.5366,.0962,8.4551;-.3036,.2942,9.1486;1.4061,.627,8.8822;.8533,-1.3997,8.444;1.7293,-1.6078,7.8039;1.0878,-1.7617,9.46;.0128,-2.0024,8.0628;-3.7286,-2.8097,5.9154;-3.6851,-2.7608,7.0295;-3.4031,-.5253,6.1791;-3.7397,.4652,5.8523;-4.4765,2.5243,9.5474;-4.9647,2.2352,10.495;-4.8951,3.4959,9.2349;-3.4022,2.6725,9.7575;-4.6807,1.4604,8.4716;-5.7608,1.3489,8.2604;-4.2164,1.8038,7.5314;-4.101,.1084,8.8734;-4.5232,-.1917,9.8533;-3.0099,.1645,9.0313;-4.4151,-1.0596,7.9622;-3.8955,-2.1882,8.2249;-5.4497,-1.0351,7.55; -739.262447547521 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000499943602 0.000111744521 0.024432197417 0.008426035308 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.126195655 0.000088479 0.000127991 0.000205056 0.000225624 0.000441509 0.000502806 0.000645556 0.000958329 0.001273939 0.002051784 0.002319398 0.002809972 0.002969941 0.003372032 0.003697182 0.006013527 0.006470779 0.007494598 0.008258573 0.009036403 0.010798091 0.011436884 0.013782026 0.015514764 0.017614006 0.020233030 0.021662310 0.027483034 0.029861373 0.031045943 0.033389806 0.035928125 0.039010635 0.040269172 0.042841155 0.045038289 0.047544407 0.048382412 0.049645570 0.050655325 0.051177567 0.052808543 0.053232408 0.054182998 0.055470602 0.056191109 0.060298431 0.065119972 0.066196665 0.067462677 0.069634473 0.069979527 0.073332492 0.076242902 0.076811115 0.077564955 0.081353103 0.082629945 0.090310460 0.093052854 0.094600957 0.097480549 0.099408749 0.103460612 0.105812494 0.111372025 0.113926139 0.115426667 0.116315000 0.117654347 0.125122770 0.132311055 0.135691619 0.140020782 0.143265850 0.147651327 0.154587096 0.156860710 0.163296007 0.169186932 0.177841170 0.179652770 0.188554166 0.194781265 0.199502446 0.205093490 0.214807427 0.222589337 0.229159953 0.260301795 0.282625351 0.300154294 0.313096650 0.349017356 0.363865932 0.389902921 0.408850329 0.471264239 0.516691944 0.552938127 0.572710957 0.609887328 0.617303065 0.641910948 0.699726245 0.747150708 0.756178881 0.767996870 0.771813147 0.775810807 0.778410285 0.779437084 0.791434246 0.793059746 0.799742787 0.805946998 0.809806468 0.826229425 0.827311979 0.851419202 0.853098909 0.854450722 0.875892667 0.882391355 0.898686003 0.900505333 0.903865826 0.916453917 0.922256487 0.927084729 0.935199785 1.051331390 1.085324364 1.277076780 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:27,1,24,5,21,8,18,15,11,33,14,31;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:-2.5213,-1.7659,2.8142;-2.2266,-2.7311,3.2616;-2.3786,-.9874,3.5834;-1.8223,-1.5432,1.9896;-3.9627,-1.8087,2.306;-4.0097,-2.4651,1.4184;-4.2589,-.802,1.955;-4.9986,-2.315,3.3144;-4.7479,-3.3438,3.6277;-5.9803,-2.368,2.8124;-5.1591,-1.4544,4.5771;-6.0718,-1.7859,5.1086;-5.2955,-.393,4.3092;-4.0178,-1.6004,5.547;-1.9541,-.6256,6.6354;-1.3977,-1.2761,5.9338;-1.9038,-1.1458,7.6082;-1.2699,.7384,6.7123;-1.8087,1.3772,7.4384;-1.3711,1.2426,5.7325;.2134,.7049,7.0915;.5847,1.7445,7.059;.7787,.1587,6.3119;.5301,.0976,8.4703;-.3159,.2911,9.158;1.3952,.6286,8.9062;.8502,-1.3976,8.4559;1.7317,-1.6014,7.822;1.0773,-1.763,9.4724;.0139,-2.0005,8.0657;-3.7182,-2.8064,5.9091;-3.6738,-2.7594,7.0232;-3.3952,-.5217,6.1745;-3.7337,.4689,5.8495;-4.4723,2.5228,9.5422;-4.9538,2.2343,10.4934;-4.895,3.4929,9.2306;-3.3969,2.6737,9.7451;-4.6808,1.4567,8.4696;-5.7617,1.3435,8.264;-4.2217,1.799,7.5264;-4.0975,.106,8.8704;-4.5195,-.1965,9.8494;-3.0068,.1645,9.0295;-4.4072,-1.0609,7.9571;-3.8847,-2.1888,8.2187;-5.4416,-1.039,7.5446; -739.262463936825 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000721715904 0.000096077240 0.023581133388 0.008423728709 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.126197877 0.000066674 0.000127810 0.000205073 0.000249245 0.000440606 0.000507001 0.000646069 0.000961179 0.001278476 0.002051789 0.002325449 0.002811591 0.002973065 0.003373826 0.003696952 0.006028923 0.006496333 0.007495078 0.008260794 0.009036399 0.010798295 0.011437915 0.013782453 0.015524477 0.017614505 0.020232996 0.021663626 0.027483062 0.029861441 0.031046213 0.033389794 0.035929162 0.039010918 0.040269045 0.042840718 0.045038576 0.047545526 0.048382761 0.049645586 0.050656969 0.051177485 0.052809510 0.053232064 0.054183525 0.055471259 0.056190380 0.060297935 0.065121548 0.066196610 0.067462457 0.069634684 0.069983029 0.073332133 0.076243064 0.076811078 0.077564928 0.081353111 0.082630750 0.090310404 0.093053111 0.094600941 0.097480587 0.099408744 0.103461151 0.105813880 0.111373969 0.113926886 0.115426853 0.116315561 0.117654613 0.125123027 0.132311981 0.135691485 0.140020771 0.143266019 0.147653539 0.154587199 0.156860970 0.163295987 0.169187246 0.177842560 0.179652681 0.188554848 0.194784022 0.199507607 0.205093398 0.214807913 0.222588437 0.229158141 0.260304397 0.282626304 0.300156295 0.313098327 0.349016827 0.363865948 0.389902855 0.408850522 0.471265871 0.516698583 0.552939647 0.572712170 0.609888537 0.617304710 0.641911375 0.699727771 0.747153056 0.756178785 0.767996754 0.771813993 0.775810747 0.778410301 0.779437379 0.791434216 0.793059860 0.799743227 0.805954845 0.809806791 0.826229618 0.827312431 0.851421407 0.853098864 0.854451738 0.875892789 0.882391576 0.898686105 0.900508332 0.903867333 0.916458909 0.922257746 0.927089220 0.935200525 1.051337070 1.085384907 1.277081882 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:-2.5317,-1.7775,2.798;-2.2376,-2.7446,3.2416;-2.3817,-1.0011,3.568;-1.8371,-1.5553,1.9697;-3.9763,-1.8145,2.2988;-4.0319,-2.4719,1.4123;-4.2704,-.8069,1.9485;-5.0076,-2.3146,3.3149;-4.7588,-3.3434,3.6294;-5.9927,-2.3651,2.8194;-5.1565,-1.4497,4.5759;-6.0678,-1.775,5.1136;-5.2895,-.3885,4.3059;-4.0112,-1.5977,5.541;-1.948,-.6227,6.6328;-1.3889,-1.2714,5.9313;-1.8994,-1.1437,7.6054;-1.2664,.7422,6.7139;-1.8111,1.38,7.4363;-1.3618,1.2463,5.7336;.2141,.7106,7.1038;.5841,1.7508,7.0748;.7862,.1658,6.3282;.5212,.1029,8.4847;-.3317,.2919,9.1652;1.3802,.6366,8.9292;.8473,-1.391,8.4709;1.7362,-1.5902,7.8456;1.0653,-1.7575,9.4889;.0174,-1.9965,8.0709;-3.7103,-2.8041,5.9007;-3.6671,-2.7586,7.0163;-3.3888,-.5197,6.1694;-3.7283,.4713,5.8468;-4.4634,2.5186,9.5416;-4.9373,2.229,10.4962;-4.89,3.4882,9.2336;-3.3867,2.6712,9.7365;-4.6781,1.4528,8.47;-5.7604,1.3387,8.2716;-4.2257,1.7959,7.5238;-4.0911,.1024,8.8665;-4.5099,-.2028,9.8461;-3,.1627,9.0227;-4.401,-1.0631,7.9514;-3.878,-2.1911,8.2108;-5.4353,-1.0407,7.5388; -739.262473448645 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000274434326 0.000070394494 0.027617435812 0.008414523925 0.000300000000 0.000200000000 0.001639736567 0.001093157711 -0.126196839 0.000088474 0.000133854 0.000204945 0.000234741 0.000441197 0.000509942 0.000646814 0.000961217 0.001285332 0.002056142 0.002333157 0.002811462 0.002976427 0.003374033 0.003696937 0.006038178 0.006512410 0.007497262 0.008260679 0.009036232 0.010798215 0.011438443 0.013782258 0.015526085 0.017614419 0.020233018 0.021664385 0.027483314 0.029861691 0.031046454 0.033389833 0.035930183 0.039011388 0.040268973 0.042840609 0.045038878 0.047546603 0.048382710 0.049645581 0.050658146 0.051177434 0.052809476 0.053231897 0.054185384 0.055471470 0.056190003 0.060297503 0.065121777 0.066196554 0.067462720 0.069634474 0.069984649 0.073331721 0.076243513 0.076811015 0.077565041 0.081353063 0.082630691 0.090310915 0.093053024 0.094600948 0.097480713 0.099408707 0.103461201 0.105814792 0.111374692 0.113927130 0.115426623 0.116315906 0.117654591 0.125123147 0.132311865 0.135691398 0.140020732 0.143266186 0.147654981 0.154587506 0.156861214 0.163296160 0.169187312 0.177842560 0.179653038 0.188554868 0.194784015 0.199507813 0.205093729 0.214809131 0.222590616 0.229162421 0.260304372 0.282626195 0.300156750 0.313099249 0.349017926 0.363866378 0.389903248 0.408851269 0.471270566 0.516698628 0.552940044 0.572714045 0.609890113 0.617308608 0.641911620 0.699730106 0.747154569 0.756179670 0.768007623 0.771814988 0.775810734 0.778415088 0.779437229 0.791435529 0.793060020 0.799743146 0.805954860 0.809806796 0.826229607 0.827312740 0.851424314 0.853098781 0.854451603 0.875892813 0.882393366 0.898687445 0.900508360 0.903872027 0.916459081 0.922258971 0.927089648 0.935202988 1.051347123 1.085398434 1.277082654 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:-2.5421,-1.7864,2.7846;-2.2483,-2.7539,3.2274;-2.3864,-1.0099,3.5534;-1.851,-1.5664,1.9527;-3.989,-1.8203,2.2925;-4.0509,-2.4795,1.408;-4.2818,-.8126,1.9412;-5.0166,-2.3148,3.3149;-4.7692,-3.3436,3.6308;-6.0043,-2.3637,2.8246;-5.1566,-1.4465,4.5744;-6.0664,-1.7678,5.1173;-5.2882,-.3854,4.3025;-4.0074,-1.5955,5.535;-1.9424,-.6205,6.6243;-1.3825,-1.2632,5.9181;-1.892,-1.1485,7.593;-1.2634,.7454,6.7143;-1.8141,1.3805,7.4346;-1.3526,1.2522,5.7347;.2142,.7153,7.1154;.5835,1.7558,7.0886;.7928,.1705,6.3446;.5106,.1087,8.4992;-.3499,.2936,9.1713;1.3626,.6463,8.9526;.8437,-1.3836,8.4885;1.7404,-1.5786,7.8732;1.052,-1.7496,9.5089;.021,-1.9925,8.079;-3.7053,-2.8022,5.8923;-3.6601,-2.7583,7.0084;-3.3835,-.5178,6.1633;-3.7238,.4734,5.8422;-4.4528,2.5146,9.542;-4.9215,2.2238,10.4988;-4.8816,3.4842,9.2372;-3.3753,2.6676,9.7313;-4.6726,1.4495,8.4707;-5.7556,1.3355,8.2772;-4.2246,1.7933,7.5228;-4.0836,.099,8.8636;-4.5008,-.2088,9.843;-2.9926,.1601,9.0187;-4.3932,-1.0646,7.9463;-3.8687,-2.1928,8.2031;-5.428,-1.0428,7.5349; -739.262478447093 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000374300083 0.000073613405 0.028326420943 0.008443367293 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.126196617 0.000074888 0.000130123 0.000204907 0.000252853 0.000441098 0.000509481 0.000648076 0.000961589 0.001289005 0.002059594 0.002338562 0.002811444 0.002978441 0.003374080 0.003697588 0.006042541 0.006524975 0.007497831 0.008260642 0.009036123 0.010798160 0.011439066 0.013782304 0.015527366 0.017614605 0.020233003 0.021664700 0.027483318 0.029861828 0.031046573 0.033389846 0.035930439 0.039011587 0.040269079 0.042840375 0.045038880 0.047546663 0.048382788 0.049645450 0.050658908 0.051177378 0.052809750 0.053231682 0.054185602 0.055471647 0.056189331 0.060297523 0.065121777 0.066196477 0.067462999 0.069634207 0.069985370 0.073331117 0.076243400 0.076811130 0.077564975 0.081352876 0.082630690 0.090311039 0.093052952 0.094600946 0.097480809 0.099408689 0.103461152 0.105814801 0.111374869 0.113927125 0.115426542 0.116316002 0.117654587 0.125123150 0.132311882 0.135691490 0.140020744 0.143266167 0.147655148 0.154587681 0.156861866 0.163296206 0.169187384 0.177842577 0.179653742 0.188554904 0.194784974 0.199510828 0.205093626 0.214809613 0.222589973 0.229159185 0.260305251 0.282626134 0.300156681 0.313099709 0.349020820 0.363866768 0.389903196 0.408851417 0.471270620 0.516702183 0.552940450 0.572715433 0.609890252 0.617310925 0.641911649 0.699732931 0.747156843 0.756179702 0.768007359 0.771814972 0.775810685 0.778415124 0.779437153 0.791435497 0.793060120 0.799743949 0.805960404 0.809807106 0.826229542 0.827312903 0.851424769 0.853098632 0.854452148 0.875893129 0.882394374 0.898688152 0.900508216 0.903872086 0.916460470 0.922259532 0.927091506 0.935204081 1.051355895 1.085410983 1.277082025 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:-2.5487,-1.7962,2.7733;-2.2575,-2.765,3.2152;-2.3874,-1.0203,3.5416;-1.8594,-1.5791,1.9392;-3.9974,-1.8242,2.2858;-4.0652,-2.4841,1.4021;-4.2871,-.8156,1.9344;-5.0236,-2.313,3.3122;-4.7793,-3.3422,3.6289;-6.0132,-2.3586,2.8253;-5.1558,-1.4418,4.5705;-6.0654,-1.7579,5.1168;-5.2835,-.3808,4.2973;-4.0049,-1.5938,5.5286;-1.9397,-.6198,6.6204;-1.3783,-1.262,5.9149;-1.8897,-1.1472,7.5893;-1.2626,.7467,6.7108;-1.8184,1.383,7.4261;-1.3466,1.2509,5.7296;.2124,.7192,7.1214;.5812,1.7597,7.0922;.7963,.1712,6.3569;.4999,.1191,8.5099;-.3664,.3041,9.1743;1.3465,.6609,8.9678;.8376,-1.3722,8.508;1.7402,-1.5669,7.9016;1.0378,-1.7338,9.5314;.0204,-1.9849,8.0933;-3.703,-2.8013,5.8831;-3.6578,-2.7597,6.9999;-3.3809,-.5176,6.1586;-3.7217,.4742,5.8397;-4.4362,2.5083,9.5452;-4.8943,2.2167,10.5072;-4.868,3.4784,9.2461;-3.3562,2.6609,9.7227;-4.6681,1.4443,8.4751;-5.7534,1.3317,8.2922;-4.229,1.7882,7.5227;-4.077,.0929,8.8615;-4.49,-.2181,9.8417;-2.9853,.1542,9.0123;-4.3892,-1.068,7.9417;-3.8654,-2.1972,8.1953;-5.4243,-1.0443,7.5313; -739.262478807612 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000421828830 0.000088838963 0.012658801419 0.002358083581 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.126196537 0.000076619 0.000126994 0.000208611 0.000260874 0.000442171 0.000518781 0.000651979 0.000961709 0.001293476 0.002060601 0.002344880 0.002811420 0.002979578 0.003374033 0.003700519 0.006044423 0.006532540 0.007497997 0.008260489 0.009036121 0.010798154 0.011439531 0.013782488 0.015528906 0.017615376 0.020233111 0.021664740 0.027483490 0.029861776 0.031046564 0.033389876 0.035930561 0.039011585 0.040269541 0.042840340 0.045038897 0.047546687 0.048383041 0.049645383 0.050658969 0.051177641 0.052810001 0.053231290 0.054186043 0.055472080 0.056188868 0.060297012 0.065121722 0.066196741 0.067464916 0.069634153 0.069988287 0.073331347 0.076243367 0.076810982 0.077565818 0.081352636 0.082630747 0.090311478 0.093053078 0.094601020 0.097480814 0.099408743 0.103461076 0.105814795 0.111374884 0.113927110 0.115426728 0.116316114 0.117655072 0.125123175 0.132311931 0.135691876 0.140020492 0.143267636 0.147655180 0.154587616 0.156862210 0.163296214 0.169187477 0.177842730 0.179654062 0.188555614 0.194785577 0.199511068 0.205096766 0.214810091 0.222609557 0.229155949 0.260308749 0.282626850 0.300162243 0.313099794 0.349024204 0.363867198 0.389910002 0.408852062 0.471270906 0.516702774 0.552940434 0.572716170 0.609890433 0.617312209 0.641911670 0.699739480 0.747159370 0.756179856 0.768008558 0.771816471 0.775810789 0.778415054 0.779437380 0.791437442 0.793060100 0.799744319 0.805960536 0.809807282 0.826229909 0.827313782 0.851430496 0.853098384 0.854452473 0.875893148 0.882394312 0.898690551 0.900516053 0.903875550 0.916460711 0.922261897 0.927091871 0.935204440 1.051366275 1.085412881 1.277084187 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:-2.5493,-1.7944,2.7746;-2.2569,-2.762,3.2181;-2.3895,-1.0173,3.5418;-1.86,-1.5775,1.9405;-3.9977,-1.8252,2.2867;-4.0642,-2.4864,1.404;-4.2885,-.8176,1.9338;-5.0236,-2.3139,3.3136;-4.7787,-3.3428,3.6309;-6.0132,-2.3603,2.8268;-5.156,-1.4423,4.5715;-6.0654,-1.7585,5.118;-5.2842,-.3813,4.2978;-4.0047,-1.5935,5.5295;-1.939,-.6195,6.6198;-1.3781,-1.2607,5.913;-1.8886,-1.1485,7.5879;-1.2615,.747,6.7118;-1.8166,1.3824,7.4284;-1.346,1.2526,5.7313;.2137,.7186,7.1214;.5829,1.7592,7.0934;.7969,.1716,6.3558;.5016,.1165,8.509;-.3646,.3001,9.1739;1.3481,.6579,8.9676;.8394,-1.3748,8.5044;1.7427,-1.568,7.8983;1.0387,-1.7384,9.5274;.0227,-1.987,8.0879;-3.7025,-2.8008,5.8845;-3.657,-2.7587,7.0011;-3.3803,-.5168,6.1587;-3.721,.4749,5.8396;-4.4422,2.509,9.5454;-4.907,2.2168,10.5035;-4.8715,3.4796,9.2443;-3.364,2.6609,9.7306;-4.667,1.4461,8.4734;-5.7508,1.333,8.2842;-4.2229,1.7912,7.5243;-4.0772,.0946,8.8616;-4.492,-.2156,9.8412;-2.9858,.1555,9.0142;-4.3885,-1.0668,7.9422;-3.8644,-2.1957,8.1963;-5.4237,-1.0436,7.5316; -739.262479259339 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000271919739 0.000056236241 0.012641217078 0.003405003504 0.000300000000 0.000200000000 0.001654900085 0.001103266724 -0.126196541 -0.000133218 0.000139065 0.000220732 0.000269484 0.000439270 0.000555944 0.000785868 0.000962154 0.001300333 0.002061241 0.002350865 0.002814967 0.002981395 0.003379228 0.003708486 0.006042845 0.006535871 0.007498133 0.008260584 0.009038427 0.010799359 0.011439782 0.013783305 0.015531147 0.017616783 0.020234409 0.021664703 0.027483948 0.029862108 0.031046562 0.033389983 0.035930641 0.039011635 0.040272584 0.042840558 0.045039564 0.047546599 0.048384079 0.049645362 0.050658987 0.051181549 0.052812539 0.053232257 0.054185480 0.055472295 0.056188775 0.060297168 0.065121756 0.066207544 0.067477778 0.069634241 0.069995454 0.073331030 0.076246786 0.076811890 0.077583133 0.081352692 0.082631702 0.090314071 0.093053020 0.094601344 0.097480908 0.099408637 0.103461068 0.105815086 0.111375084 0.113927804 0.115428924 0.116321344 0.117663610 0.125123166 0.132312151 0.135694718 0.140020583 0.143278750 0.147654910 0.154589424 0.156864561 0.163296362 0.169189158 0.177847955 0.179654031 0.188574182 0.194792960 0.199520051 0.205136310 0.214833775 0.222858764 0.229167890 0.260347862 0.282646454 0.300222222 0.313104190 0.349044001 0.363890405 0.389988425 0.408852006 0.471275612 0.516712909 0.552945637 0.572719038 0.609894539 0.617312223 0.641911784 0.699746237 0.747171481 0.756179874 0.768016122 0.771833263 0.775813425 0.778426874 0.779439192 0.791451290 0.793060398 0.799762532 0.805965984 0.809810523 0.826231739 0.827314341 0.851463515 0.853103859 0.854453455 0.875893161 0.882394402 0.898693979 0.900626111 0.903886810 0.916461342 0.922266532 0.927101553 0.935204671 1.051370824 1.085412832 1.277087644 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:-2.5471,-1.792,2.7776;-2.2538,-2.7589,3.2223;-2.3886,-1.0138,3.5442;-1.8576,-1.5751,1.9437;-3.9953,-1.8249,2.2889;-4.0605,-2.4866,1.4064;-4.2873,-.8177,1.9353;-5.0211,-2.3145,3.3153;-4.7753,-3.343,3.633;-6.0104,-2.362,2.828;-5.155,-1.4427,4.5729;-6.0646,-1.7594,5.1188;-5.2836,-.3818,4.299;-4.0044,-1.5932,5.5317;-1.9395,-.6187,6.6225;-1.3785,-1.2605,5.9163;-1.8896,-1.1471,7.591;-1.2613,.7474,6.7143;-1.8146,1.3823,7.4327;-1.3476,1.254,5.7346;.2148,.7176,7.1205;.5841,1.7582,7.0947;.7961,.1727,6.3519;.506,.1112,8.5055;-.3578,.2938,9.1734;1.3545,.6505,8.963;.8425,-1.3804,8.4958;1.7429,-1.5729,7.8857;1.0455,-1.7468,9.5168;.0237,-1.9907,8.0811;-3.7021,-2.8002,5.8874;-3.6571,-2.7576,7.004;-3.3806,-.5161,6.1608;-3.7212,.4754,5.841;-4.4497,2.5119,9.5436;-4.9153,2.2195,10.5018;-4.8806,3.4813,9.2409;-3.3715,2.6662,9.7301;-4.6711,1.4476,8.4717;-5.7547,1.3328,8.2806;-4.2256,1.7926,7.5228;-4.0802,.0971,8.8621;-4.4958,-.2124,9.8416;-2.989,.1591,9.0157;-4.3898,-1.0654,7.9435;-3.8652,-2.1938,8.1989;-5.4247,-1.0433,7.5323; -739.262479231376 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000304049377 0.000062437825 0.004559600998 0.001567802564 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.126196578 0.000015992 0.000137418 0.000208638 0.000249925 0.000464462 0.000550299 0.000802118 0.000961965 0.001300796 0.002062860 0.002351139 0.002815303 0.002981168 0.003381919 0.003709047 0.006043599 0.006535933 0.007498223 0.008260594 0.009038554 0.010799245 0.011439687 0.013783388 0.015530339 0.017616295 0.020234274 0.021664819 0.027483912 0.029862163 0.031046567 0.033389931 0.035930660 0.039011762 0.040272705 0.042840451 0.045039369 0.047546579 0.048384319 0.049645103 0.050659575 0.051181267 0.052810204 0.053232599 0.054185515 0.055472295 0.056188934 0.060297348 0.065121782 0.066206395 0.067475909 0.069634391 0.069994816 0.073331601 0.076246913 0.076811263 0.077583774 0.081352993 0.082631691 0.090313752 0.093052883 0.094601255 0.097480931 0.099409271 0.103461118 0.105815146 0.111375180 0.113927851 0.115428140 0.116321186 0.117663107 0.125124058 0.132312456 0.135696751 0.140021149 0.143278739 0.147655259 0.154590425 0.156863582 0.163296163 0.169189566 0.177847533 0.179654048 0.188574768 0.194791653 0.199516923 0.205136042 0.214832721 0.222868212 0.229159834 0.260346154 0.282645386 0.300224887 0.313101611 0.349045435 0.363888789 0.389993754 0.408852886 0.471274455 0.516715249 0.552947865 0.572730199 0.609894585 0.617312671 0.641911786 0.699749754 0.747172029 0.756179866 0.768015323 0.771837097 0.775812893 0.778425096 0.779441679 0.791457168 0.793060428 0.799761938 0.805970568 0.809810119 0.826232119 0.827314464 0.851462512 0.853102818 0.854456509 0.875893256 0.882396613 0.898693403 0.900628855 0.903889941 0.916461097 0.922266448 0.927100519 0.935213384 1.051386445 1.085415692 1.277092357 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:-2.5452,-1.7908,2.7802;-2.2524,-2.7585,3.2236;-2.3874,-1.014,3.5481;-1.8547,-1.5727,1.9473;-3.9927,-1.8228,2.2899;-4.0569,-2.4829,1.4062;-4.2844,-.815,1.9378;-5.0197,-2.3143,3.3143;-4.7737,-3.3431,3.6309;-6.0082,-2.3618,2.8255;-5.1561,-1.4443,4.5728;-6.0658,-1.7629,5.1173;-5.2858,-.3833,4.3;-4.0061,-1.5945,5.5324;-1.941,-.6198,6.6228;-1.3804,-1.2622,5.9169;-1.8909,-1.1475,7.5916;-1.2629,.7464,6.7131;-1.8159,1.3818,7.4312;-1.3498,1.2522,5.7329;.2134,.7173,7.1185;.5825,1.7579,7.0917;.7945,.1718,6.3501;.5054,.112,8.5038;-.3585,.2948,9.172;1.3538,.6519,8.9609;.8422,-1.3795,8.4949;1.7435,-1.5719,7.8855;1.0445,-1.7455,9.5164;.0238,-1.9902,8.0795;-3.7041,-2.8015,5.8886;-3.659,-2.7585,7.005;-3.3822,-.5173,6.1613;-3.7227,.4741,5.8411;-4.4468,2.5121,9.5435;-4.9127,2.2209,10.5015;-4.8761,3.4822,9.2407;-3.3687,2.6646,9.7297;-4.6703,1.4478,8.4722;-5.7539,1.3343,8.2819;-4.225,1.792,7.5232;-4.0807,.0968,8.8626;-4.4964,-.2122,9.8423;-2.9894,.1579,9.0161;-4.3913,-1.0657,7.9444;-3.8672,-2.1942,8.1999;-5.4262,-1.043,7.5333; -739.262479490978 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000108541801 0.000031314068 0.008936946058 0.002255692070 0.000300000000 0.000200000000 0.004145868179 0.002763912119 -0.126196624 -0.000046925 0.000105845 0.000194510 0.000221920 0.000471834 0.000580396 0.000856628 0.000960919 0.001301475 0.002078659 0.002363874 0.002819835 0.002981654 0.003393102 0.003717800 0.006044288 0.006539081 0.007498282 0.008260946 0.009039224 0.010799724 0.011439940 0.013784578 0.015530238 0.017616371 0.020234498 0.021664759 0.027484068 0.029862498 0.031046744 0.033389910 0.035930639 0.039011939 0.040274919 0.042840508 0.045039320 0.047546593 0.048385853 0.049645764 0.050660410 0.051181192 0.052810491 0.053232941 0.054185553 0.055472973 0.056190347 0.060297734 0.065121917 0.066207488 0.067476544 0.069635306 0.069994235 0.073332927 0.076246743 0.076811704 0.077587304 0.081353629 0.082632852 0.090313675 0.093052735 0.094601363 0.097482053 0.099409603 0.103461228 0.105815317 0.111375229 0.113928009 0.115428251 0.116321805 0.117663769 0.125127562 0.132313255 0.135697786 0.140021493 0.143280291 0.147657225 0.154592032 0.156863921 0.163296089 0.169190245 0.177852229 0.179655302 0.188578632 0.194795715 0.199548337 0.205140301 0.214859220 0.222915810 0.229202770 0.260360719 0.282657486 0.300227989 0.313120786 0.349060094 0.363922114 0.390008796 0.408866841 0.471284872 0.516736060 0.552950003 0.572751878 0.609895379 0.617318501 0.641911807 0.699753322 0.747183550 0.756179958 0.768045370 0.771840150 0.775813280 0.778453904 0.779442979 0.791461796 0.793060600 0.799780426 0.805985255 0.809811329 0.826232449 0.827316760 0.851466895 0.853104549 0.854457748 0.875893416 0.882400424 0.898694118 0.900652052 0.903896261 0.916461410 0.922266985 0.927102145 0.935222115 1.051399140 1.085418866 1.277096987 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:-2.5433,-1.7884,2.7818;-2.2505,-2.7564,3.2242;-2.3865,-1.0125,3.5508;-1.8522,-1.5689,1.9498;-3.9904,-1.8204,2.2901;-4.0533,-2.4791,1.4053;-4.2822,-.8123,1.9394;-5.0182,-2.3142,3.3127;-4.7717,-3.3433,3.6282;-6.0061,-2.362,2.8226;-5.157,-1.446,4.5723;-6.0669,-1.7664,5.1155;-5.2876,-.3848,4.3006;-4.0077,-1.5961,5.5327;-1.9427,-.6212,6.623;-1.3822,-1.264,5.9174;-1.8924,-1.1484,7.5921;-1.2646,.7451,6.7123;-1.8171,1.3809,7.4305;-1.3524,1.2503,5.7319;.212,.7166,7.1163;.5809,1.7572,7.0874;.7923,.1699,6.3482;.5059,.114,8.5023;-.3559,.3002,9.1719;1.3564,.6535,8.9558;.8401,-1.3781,8.4969;1.7373,-1.5743,7.8835;1.0473,-1.7408,9.5183;.0187,-1.9887,8.0884;-3.7059,-2.803,5.8892;-3.661,-2.7598,7.0055;-3.384,-.5188,6.1616;-3.7244,.4725,5.8411;-4.4425,2.5121,9.543;-4.9056,2.2219,10.5027;-4.8719,3.4823,9.2408;-3.3636,2.6638,9.7257;-4.6701,1.4473,8.4731;-5.7543,1.335,8.2855;-4.2267,1.7902,7.5226;-4.0812,.0959,8.8631;-4.4965,-.2128,9.843;-2.9898,.1563,9.016;-4.3929,-1.0665,7.945;-3.8693,-2.1953,8.2005;-5.4279,-1.0432,7.5342; -739.262479142226 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000202904267 0.000055482294 0.008529769597 0.003253730302 0.000300000000 0.000200000000 0.002217794655 0.001478529770 -0.126196540 -0.000111849 0.000084976 0.000195901 0.000244821 0.000480571 0.000660367 0.000863165 0.000959190 0.001314269 0.002106428 0.002382387 0.002822511 0.002987692 0.003401391 0.003719185 0.006045139 0.006544226 0.007498487 0.008261170 0.009039599 0.010799796 0.011439586 0.013784713 0.015530678 0.017616604 0.020234597 0.021664761 0.027484116 0.029862597 0.031046883 0.033389919 0.035930738 0.039012111 0.040275350 0.042840592 0.045039587 0.047546607 0.048386809 0.049646712 0.050660659 0.051182415 0.052811193 0.053233934 0.054185730 0.055472748 0.056190491 0.060298272 0.065121851 0.066207777 0.067479032 0.069635506 0.069994962 0.073333471 0.076246462 0.076811658 0.077588749 0.081354131 0.082633054 0.090315498 0.093052543 0.094601414 0.097484335 0.099410108 0.103461248 0.105815589 0.111375799 0.113928144 0.115428676 0.116322017 0.117664134 0.125129213 0.132313625 0.135697925 0.140021701 0.143281191 0.147658586 0.154592395 0.156864432 0.163296275 0.169192622 0.177855725 0.179658763 0.188580272 0.194796896 0.199583645 0.205143341 0.214896729 0.222935444 0.229250446 0.260368515 0.282661010 0.300236739 0.313164749 0.349063717 0.363952979 0.390013352 0.408897470 0.471296612 0.516763199 0.552951237 0.572775521 0.609895656 0.617330057 0.641911893 0.699754653 0.747194646 0.756180211 0.768087331 0.771841190 0.775813271 0.778484823 0.779444351 0.791463616 0.793060760 0.799796522 0.806004040 0.809811632 0.826232755 0.827318015 0.851468433 0.853110406 0.854457811 0.875893868 0.882405013 0.898703038 0.900660766 0.903902859 0.916461967 0.922271800 0.927103492 0.935226817 1.051403895 1.085420339 1.277098809 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:-2.5474,-1.794,2.7768;-2.2553,-2.7617,3.2204;-2.388,-1.0169,3.5442;-1.8575,-1.5771,1.9431;-3.9954,-1.8246,2.2879;-4.0613,-2.4854,1.4048;-4.2861,-.8168,1.9351;-5.0221,-2.3139,3.3137;-4.7772,-3.3428,3.6309;-6.0112,-2.3604,2.826;-5.1558,-1.4426,4.5717;-6.0654,-1.7595,5.1175;-5.2843,-.3817,4.2982;-4.0051,-1.5936,5.5304;-1.9399,-.6193,6.6212;-1.3789,-1.2607,5.9146;-1.8897,-1.148,7.5894;-1.2623,.7471,6.7131;-1.8165,1.3822,7.4306;-1.3479,1.2532,5.7329;.2134,.7185,7.1206;.5823,1.7592,7.0935;.7957,.1725,6.3536;.5036,.1147,8.5069;-.361,.2982,9.1737;1.3513,.6551,8.9643;.8406,-1.3768,8.5003;1.7413,-1.5702,7.8912;1.0432,-1.7411,9.5221;.0223,-1.9881,8.0864;-3.703,-2.8008,5.8858;-3.6579,-2.7585,7.0024;-3.3811,-.5168,6.1598;-3.7217,.4748,5.8403;-4.4437,2.5103,9.5446;-4.9074,2.2184,10.5035;-4.8738,3.4804,9.2432;-3.3651,2.6629,9.7285;-4.6692,1.4466,8.4732;-5.7531,1.3332,8.2847;-4.2255,1.7911,7.5235;-4.079,.0953,8.862;-4.4941,-.2146,9.8417;-2.9877,.1565,9.0149;-4.3899,-1.0664,7.9429;-3.8657,-2.1952,8.1975;-5.4249,-1.0435,7.532; -739.262479484425 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000186052046 0.000046069793 0.024599284920 0.004711993690 0.000300000000 0.000200000000 0.002418678045 0.001612452030 -0.126196046 -0.000105190 0.000136669 0.000179203 0.000246976 0.000481435 0.000698291 0.000877752 0.000956106 0.001337021 0.002137378 0.002406560 0.002826204 0.003003008 0.003412816 0.003723039 0.006045353 0.006547213 0.007499362 0.008261161 0.009040441 0.010800289 0.011439700 0.013785330 0.015531538 0.017616864 0.020234794 0.021664813 0.027484240 0.029862688 0.031046900 0.033389925 0.035930866 0.039012211 0.040276620 0.042840522 0.045039738 0.047546564 0.048387687 0.049647989 0.050660800 0.051183154 0.052810867 0.053234495 0.054187559 0.055474403 0.056190630 0.060298180 0.065122013 0.066209116 0.067483711 0.069635705 0.069996962 0.073332481 0.076244625 0.076812345 0.077593674 0.081355441 0.082633619 0.090316007 0.093052850 0.094601691 0.097487264 0.099411187 0.103461238 0.105815785 0.111376111 0.113928306 0.115428605 0.116322981 0.117665516 0.125130641 0.132313668 0.135696445 0.140021694 0.143283758 0.147660151 0.154593814 0.156864764 0.163297501 0.169193979 0.177861981 0.179660783 0.188585553 0.194800293 0.199633834 0.205153299 0.214934383 0.223005518 0.229304583 0.260380185 0.282667520 0.300262736 0.313215642 0.349077743 0.364001076 0.390032341 0.408929049 0.471317237 0.516801270 0.552954415 0.572806830 0.609898424 0.617350536 0.641912701 0.699759041 0.747209207 0.756181638 0.768154756 0.771849878 0.775813721 0.778519670 0.779446167 0.791473171 0.793060940 0.799818474 0.806030607 0.809813290 0.826233142 0.827319602 0.851474300 0.853115758 0.854459970 0.875895082 0.882410826 0.898710911 0.900683586 0.903916361 0.916462618 0.922278366 0.927106861 0.935232599 1.051412848 1.085421006 1.277102550 14 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:-2.5466,-1.7937,2.7771;-2.2555,-2.7617,3.2205;-2.3878,-1.0172,3.5451;-1.8557,-1.5764,1.9444;-3.994,-1.8233,2.2866;-4.059,-2.483,1.4027;-4.284,-.8151,1.9346;-5.0219,-2.3136,3.3106;-4.7774,-3.3429,3.6271;-6.0104,-2.3596,2.8216;-5.1574,-1.4438,4.5694;-6.0674,-1.7618,5.1139;-5.2863,-.3826,4.2968;-4.0074,-1.5951,5.5288;-1.9418,-.6207,6.6192;-1.381,-1.2624,5.9128;-1.8909,-1.149,7.5877;-1.2649,.7461,6.7097;-1.8206,1.3822,7.4251;-1.3494,1.2502,5.7285;.2102,.7191,7.1198;.579,1.7596,7.0897;.7939,.1705,6.3556;.4975,.1199,8.5089;-.3696,.304,9.1726;1.3431,.6631,8.9676;.8367,-1.3711,8.5074;1.7429,-1.5641,7.9049;1.0322,-1.7333,9.532;.0218,-1.9846,8.0879;-3.7055,-2.8024,5.8838;-3.6603,-2.7604,7.0004;-3.3833,-.5185,6.1585;-3.724,.4732,5.8392;-4.4292,2.5089,9.5449;-4.8828,2.2186,10.5094;-4.8614,3.4792,9.2472;-3.3483,2.6602,9.7168;-4.6678,1.4443,8.4769;-5.7539,1.3333,8.299;-4.2323,1.7865,7.5225;-4.0772,.0923,8.8622;-4.4893,-.2187,9.8428;-2.9854,.1529,9.012;-4.3909,-1.0683,7.9425;-3.8676,-2.1978,8.1957;-5.4262,-1.0437,7.5325; -739.262478226978 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000469480328 0.000125490652 0.024670080777 0.004699364388 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.126195733 0.000024872 0.000115235 0.000148877 0.000249227 0.000487413 0.000692800 0.000885860 0.000961010 0.001342669 0.002143674 0.002504317 0.002840640 0.003021062 0.003428197 0.003739726 0.006045716 0.006558752 0.007499655 0.008261815 0.009040527 0.010800685 0.011440222 0.013786475 0.015532259 0.017617115 0.020234391 0.021664851 0.027484290 0.029862492 0.031046902 0.033389907 0.035931374 0.039012231 0.040277243 0.042840664 0.045040036 0.047546517 0.048388688 0.049649313 0.050661921 0.051185127 0.052810309 0.053234620 0.054188686 0.055475186 0.056192740 0.060298084 0.065125313 0.066206279 0.067485578 0.069636712 0.070004288 0.073330537 0.076246475 0.076812298 0.077590542 0.081355658 0.082634687 0.090317702 0.093052420 0.094602368 0.097489478 0.099411212 0.103461470 0.105815487 0.111376568 0.113928249 0.115428420 0.116322475 0.117664423 0.125130960 0.132316200 0.135696042 0.140021861 0.143282653 0.147664962 0.154594173 0.156865273 0.163299355 0.169197387 0.177882502 0.179661184 0.188586480 0.194804505 0.199712746 0.205151565 0.214936862 0.222994344 0.229434689 0.260378492 0.282675967 0.300278109 0.313245327 0.349116182 0.364071936 0.390037193 0.408950635 0.471348586 0.516854052 0.552961421 0.572826053 0.609898787 0.617367589 0.641912786 0.699763865 0.747249853 0.756181822 0.768197765 0.771858032 0.775816367 0.778559123 0.779451975 0.791479322 0.793061328 0.799844585 0.806065434 0.809821148 0.826233874 0.827323139 0.851474873 0.853115833 0.854471117 0.875895751 0.882417540 0.898722211 0.900685947 0.903935638 0.916468978 0.922280628 0.927107251 0.935234923 1.051421402 1.085422288 1.277103440 15 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:-2.5471,-1.7933,2.7772;-2.2549,-2.7611,3.2205;-2.3878,-1.0164,3.5449;-1.8572,-1.5759,1.9437;-3.9951,-1.8238,2.2882;-4.0609,-2.4843,1.4049;-4.2859,-.8159,1.936;-5.0217,-2.3137,3.3138;-4.7766,-3.3426,3.6307;-6.0108,-2.3603,2.826;-5.1559,-1.4428,4.5721;-6.0655,-1.7601,5.1176;-5.2846,-.3819,4.2988;-4.0053,-1.5938,5.5308;-1.94,-.6196,6.6215;-1.3792,-1.2616,5.9154;-1.8898,-1.1477,7.5901;-1.2621,.7467,6.7125;-1.8161,1.3823,7.4297;-1.3478,1.2523,5.7321;.2137,.7179,7.1199;.5828,1.7585,7.0923;.7957,.1715,6.353;.5037,.1145,8.5064;-.3611,.298,9.173;1.3514,.655,8.964;.8408,-1.377,8.5;1.7428,-1.5702,7.8922;1.0417,-1.7415,9.5223;.023,-1.9884,8.0844;-3.7033,-2.801,5.8863;-3.658,-2.7586,7.0028;-3.3812,-.517,6.1601;-3.7218,.4746,5.8405;-4.4442,2.5106,9.5442;-4.9075,2.2188,10.5034;-4.8748,3.4805,9.2428;-3.3656,2.6636,9.7277;-4.6697,1.4465,8.4731;-5.7537,1.3329,8.285;-4.2264,1.791,7.5232;-4.0792,.0955,8.8621;-4.4939,-.2144,9.8419;-2.9878,.157,9.0147;-4.39,-1.0664,7.9432;-3.8658,-2.1952,8.1979;-5.425,-1.0435,7.5323; -739.262479625220 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000053491479 0.000011975185 0.025853249017 0.006885350535 0.000300000000 0.000200000000 0.008412554771 0.005608369847 -0.126196227 -0.000123476 0.000088656 0.000203634 0.000255655 0.000447279 0.000517612 0.000804642 0.000957251 0.001336955 0.002148240 0.002518814 0.002848799 0.003067648 0.003455256 0.003739188 0.006046932 0.006570262 0.007500606 0.008261722 0.009041377 0.010801615 0.011440218 0.013786674 0.015534091 0.017618492 0.020235089 0.021665077 0.027484445 0.029862618 0.031047436 0.033389890 0.035931704 0.039012364 0.040278061 0.042840685 0.045040449 0.047546834 0.048389040 0.049652747 0.050661784 0.051186008 0.052809814 0.053235081 0.054190108 0.055477737 0.056192128 0.060298531 0.065125626 0.066208721 0.067492501 0.069636734 0.070012358 0.073329495 0.076248668 0.076814147 0.077594215 0.081355172 0.082635218 0.090318327 0.093052770 0.094603859 0.097500230 0.099414210 0.103461472 0.105816038 0.111377660 0.113928389 0.115428290 0.116323060 0.117665366 0.125132074 0.132316598 0.135695153 0.140023390 0.143284362 0.147667476 0.154595397 0.156865489 0.163306843 0.169199908 0.177918884 0.179678864 0.188590713 0.194806575 0.199850013 0.205162860 0.215006351 0.223049622 0.229539108 0.260385776 0.282680237 0.300322958 0.313367626 0.349131721 0.364194566 0.390051395 0.409055054 0.471413323 0.516942960 0.552970378 0.572874587 0.609901700 0.617424928 0.641913192 0.699769034 0.747283517 0.756182063 0.768350610 0.771876679 0.775817521 0.778602992 0.779460621 0.791499477 0.793061779 0.799887269 0.806114648 0.809823712 0.826235517 0.827323581 0.851478761 0.853118011 0.854475697 0.875898712 0.882424786 0.898732789 0.900695186 0.903964226 0.916470824 0.922287621 0.927109445 0.935236297 1.051423839 1.085422964 1.277106174 16 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:-2.5433,-1.7741,2.786;-2.2459,-2.7413,3.2273;-2.3909,-.9985,3.556;-1.8528,-1.5501,1.9547;-3.9898,-1.8126,2.2934;-4.0486,-2.4692,1.4068;-4.2868,-.8052,1.9451;-5.0156,-2.3149,3.3139;-4.7641,-3.3438,3.6262;-6.003,-2.366,2.8232;-5.1593,-1.4515,4.5764;-6.0681,-1.7782,5.1179;-5.2944,-.39,4.308;-4.0096,-1.6001,5.5364;-1.9427,-.6251,6.6219;-1.3844,-1.2713,5.9177;-1.8913,-1.1489,7.5929;-1.2624,.7405,6.7052;-1.8157,1.3811,7.4187;-1.3467,1.2406,5.7217;.2132,.7106,7.1136;.5847,1.7503,7.083;.7946,.1606,6.3485;.5005,.11,8.5022;-.3673,.2912,9.1659;1.345,.6538,8.9623;.8421,-1.3805,8.4977;1.746,-1.5716,7.8929;1.0409,-1.7439,9.5203;.0277,-1.9942,8.0802;-3.7076,-2.8066,5.8944;-3.6606,-2.7613,7.0105;-3.3844,-.5221,6.1627;-3.7246,.469,5.8411;-4.443,2.5161,9.5367;-4.9004,2.2274,10.4997;-4.8768,3.4841,9.2337;-3.3636,2.6716,9.7134;-4.6729,1.4474,8.4711;-5.7578,1.3319,8.2889;-4.2347,1.7884,7.5175;-4.0793,.0984,8.8625;-4.4907,-.2091,9.8445;-2.9876,.162,9.0118;-4.3914,-1.0665,7.9477;-3.8669,-2.1945,8.2049;-5.4269,-1.0447,7.5382; -739.262476916395 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000511302084 0.000114633627 0.022931832516 0.006126223186 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.126196061 0.000071725 0.000124167 0.000201058 0.000265075 0.000482433 0.000546776 0.000798054 0.000956636 0.001335824 0.002147153 0.002534762 0.002853044 0.003076755 0.003466508 0.003740818 0.006047320 0.006573666 0.007501161 0.008262001 0.009042515 0.010801750 0.011440182 0.013787403 0.015533975 0.017618878 0.020235018 0.021664991 0.027484494 0.029862893 0.031047942 0.033389851 0.035932107 0.039012495 0.040278218 0.042840943 0.045040576 0.047546854 0.048389310 0.049652594 0.050662047 0.051186481 0.052809685 0.053235557 0.054191857 0.055478161 0.056192468 0.060298966 0.065125847 0.066208766 0.067494321 0.069636943 0.070014917 0.073330628 0.076249965 0.076814284 0.077594191 0.081355827 0.082636079 0.090318941 0.093052718 0.094604105 0.097500362 0.099414359 0.103461596 0.105816098 0.111377721 0.113928535 0.115428492 0.116323082 0.117665451 0.125132590 0.132316955 0.135695205 0.140024165 0.143284797 0.147667780 0.154595442 0.156867750 0.163330079 0.169200187 0.177939314 0.179693912 0.188591540 0.194806901 0.199853652 0.205162896 0.215010987 0.223050071 0.229539937 0.260386881 0.282682110 0.300322739 0.313381577 0.349133732 0.364223440 0.390052642 0.409110721 0.471469211 0.516992710 0.552974266 0.572884403 0.609903210 0.617492104 0.641916931 0.699774747 0.747313073 0.756185054 0.768372032 0.771877836 0.775818162 0.778603248 0.779460946 0.791499865 0.793061933 0.799896762 0.806120042 0.809823997 0.826235974 0.827324541 0.851479201 0.853118481 0.854481586 0.875899016 0.882425184 0.898744519 0.900697118 0.903965647 0.916471379 0.922287697 0.927110069 0.935238399 1.051436457 1.085424526 1.277109855 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:-2.5464,-1.7912,2.7782;-2.2536,-2.7589,3.2212;-2.388,-1.0145,3.5462;-1.8563,-1.573,1.945;-3.9942,-1.8226,2.2886;-4.059,-2.4826,1.4048;-4.2857,-.8148,1.9368;-5.0208,-2.314,3.3134;-4.7749,-3.3429,3.6299;-6.0096,-2.3612,2.8252;-5.1563,-1.444,4.5722;-6.0659,-1.7624,5.1171;-5.2858,-.383,4.2995;-4.006,-1.5947,5.5313;-1.9407,-.6202,6.6215;-1.38,-1.2625,5.9155;-1.8903,-1.1481,7.5903;-1.2627,.7461,6.7119;-1.8167,1.382,7.4289;-1.3485,1.2512,5.7313;.213,.7175,7.1193;.5822,1.758,7.0913;.795,.1707,6.3525;.5031,.1145,8.506;-.3618,.2981,9.1725;1.3506,.6553,8.9634;.8404,-1.377,8.5001;1.7424,-1.5702,7.8925;1.0412,-1.7412,9.5225;.0228,-1.9885,8.0846;-3.704,-2.8018,5.887;-3.6587,-2.7591,7.0036;-3.3819,-.5177,6.1603;-3.7225,.4738,5.8405;-4.4423,2.5111,9.5434;-4.904,2.22,10.5035;-4.873,3.481,9.2421;-3.3633,2.6639,9.725;-4.6698,1.4465,8.4733;-5.7542,1.3332,8.2869;-4.2278,1.7902,7.5225;-4.0793,.0955,8.8622;-4.4936,-.2142,9.8423;-2.9878,.1569,9.0144;-4.3905,-1.0666,7.9437;-3.8664,-2.1954,8.1986;-5.4256,-1.0437,7.5329; -739.262479650918 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 -855.93686307 26.64460347 31.61514819 40.29008642 44.74571640 67.96468822 70.90801972 82.90274523 87.10248614 102.08699866 121.43445456 142.26357642 158.66751476 199.59320194 215.64917259 223.14821156 241.98705071 257.49878356 264.72514465 282.95351424 284.81500171 318.13047695 331.92103278 367.33278676 385.36587337 411.72231107 457.00959353 470.29955268 509.21454113 536.16982520 566.61407191 602.62370922 655.92380043 750.47831402 760.99306556 782.67296424 790.72502731 823.80991324 834.80089652 848.53519150 875.37740961 890.88895449 895.70185130 925.65979598 936.07386940 957.81002862 964.12413126 996.48846442 1013.92381059 1022.87755151 1029.24994670 1057.98981247 1062.91576517 1083.70198052 1100.06862851 1110.68243682 1119.01645976 1124.31526395 1137.99009596 1143.64879023 1148.32788947 1153.97439335 1170.01208506 1211.39217455 1227.47933222 1232.87680981 1250.82937979 1272.77879992 1278.58775883 1288.07848904 1300.95888801 1305.45969338 1323.55153370 1333.08313479 1336.96976390 1343.62486828 1379.42030138 1384.68297514 1388.31695427 1390.94205203 1410.45953175 1410.96341384 1412.33377063 1426.86966645 1430.84472002 1431.97736752 1433.70573752 1461.47149899 1465.57268113 1480.46228252 1481.53515016 1486.40071959 1488.32360881 1489.33069359 1491.98626401 1494.25383360 1494.57825983 1496.05158750 1501.90456776 1503.16192509 1509.29667939 1525.80325960 1537.27948978 1636.78701069 1679.83405524 1888.60710792 2964.05031341 3021.36884052 3026.99025997 3027.51333207 3027.58296760 3027.94347491 3029.67599314 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