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:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/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:-5.0467,-1.6513,1.2759;-4.0795,-1.1219,1.2176;-5.6097,-1.4038,.3599;-4.8368,-2.7359,1.2594;-5.8372,-1.2657,2.5253;-6.8394,-1.7274,2.4737;-6.0056,-.172,2.532;-5.1837,-1.6875,3.8437;-5.0542,-2.783,3.8681;-5.8664,-1.442,4.6775;-3.8276,-1.0246,4.0984;-3.9028,.0744,4.0224;-3.1046,-1.3376,3.3208;-3.2076,-1.3884,5.4207;-1.5226,-.8327,7.2287;-.8941,-1.5987,6.7399;-1.9324,-1.3299,8.1283;-.6617,.3657,7.6287;-1.3201,1.1871,7.968;-.1417,.7489,6.7295;.3705,.0966,8.7274;-.1557,-.1658,9.6657;.8905,1.05,8.9294;1.4157,-.9876,8.4121;2.363,-.7268,8.9169;1.6411,-.9729,7.3285;1.0259,-2.4029,8.8412;.1035,-2.7527,8.3499;1.8267,-3.1232,8.5993;.8557,-2.4465,9.9317;-3.3184,-2.6173,5.8111;-3.6734,-2.541,6.8688;-2.6373,-.4453,6.276;-2.6289,.586,5.9054;-4.2507,2.8884,9.1256;-5.0739,2.7265,9.8439;-4.3539,3.9088,8.7189;-3.3022,2.8454,9.69;-4.2726,1.8431,8.013;-5.2171,1.928,7.4437;-3.4614,2.0613,7.2975;-4.1296,.4209,8.546;-4.9146,.2389,9.3067;-3.1721,.2787,9.0762;-4.3244,-.6953,7.5409;-4.1784,-1.8965,7.9259;-5.111,-.4731,6.785; -739.260950259306 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000700761522 0.000160044638 0.021883778842 0.008422077061 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.125201279 0.000084171 0.000088950 0.000165593 0.000255352 0.000313598 0.000529421 0.000618028 0.000943035 0.001118488 0.001549836 0.001630542 0.002671264 0.003044501 0.003368905 0.004383885 0.004760674 0.005762959 0.007441577 0.008676237 0.009321229 0.011291951 0.011739259 0.013223094 0.015346987 0.017835574 0.020603147 0.024850689 0.025320948 0.028966930 0.031277124 0.032547364 0.034330487 0.035806490 0.036807899 0.038969989 0.041674155 0.046371669 0.048215213 0.049123807 0.049487843 0.051999340 0.052348297 0.053382727 0.053894541 0.055558405 0.057733001 0.059337107 0.064523174 0.066042216 0.066879288 0.068611547 0.072502298 0.074692638 0.076291950 0.077327032 0.077660389 0.080907920 0.082717566 0.084553209 0.093243722 0.096275241 0.098797031 0.099199037 0.105571005 0.110935221 0.112241035 0.113861941 0.115561966 0.116821241 0.122153297 0.129399942 0.133633418 0.136467469 0.140677798 0.144293323 0.147200576 0.150621145 0.154474155 0.161135834 0.168176631 0.176994493 0.179738556 0.188527108 0.195381358 0.198131390 0.204851808 0.215816467 0.223805559 0.227235292 0.260589615 0.273289244 0.291310579 0.300039685 0.353591172 0.362600645 0.388644959 0.416475626 0.469965894 0.521553535 0.554590858 0.588928756 0.610873285 0.615618940 0.629929308 0.706891566 0.748701581 0.753849180 0.767033689 0.772948483 0.777456727 0.780453090 0.784271586 0.792727937 0.795423630 0.797856172 0.808481896 0.819973800 0.825849195 0.827478167 0.842354073 0.851993507 0.854890177 0.867931686 0.879189142 0.902185538 0.903836333 0.905641999 0.919528839 0.922015892 0.927133916 0.935401648 1.062166036 1.123646741 1.300514908 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:-5.0601,-1.6591,1.2773;-4.0944,-1.1282,1.2106;-5.6285,-1.4187,.3626;-4.8482,-2.7434,1.2667;-5.8448,-1.267,2.5283;-6.8469,-1.7299,2.4843;-6.0142,-.1734,2.5296;-5.1847,-1.6812,3.8458;-5.0568,-2.7768,3.8764;-5.863,-1.4297,4.6813;-3.8255,-1.0198,4.09;-3.8993,.0791,4.0119;-3.1086,-1.3368,3.3084;-3.1998,-1.3844,5.4099;-1.5157,-.8285,7.2201;-.8823,-1.5904,6.7314;-1.9287,-1.3309,8.1152;-.6593,.37,7.6314;-1.3211,1.1897,7.9684;-.1319,.7573,6.7382;.3642,.0979,8.738;-.1696,-.1692,9.6708;.8811,1.0511,8.9486;1.4138,-.9836,8.4273;2.3574,-.7222,8.9388;1.6463,-.9662,7.3452;1.0236,-2.4004,8.8509;.1035,-2.7496,8.3548;1.826,-3.1194,8.6104;.8489,-2.4471,9.9406;-3.3092,-2.6128,5.7989;-3.6745,-2.536,6.8582;-2.6287,-.4416,6.2654;-2.6169,.5893,5.8925;-4.2367,2.8813,9.1277;-5.0523,2.7212,9.855;-4.3401,3.9029,8.7245;-3.2818,2.8326,9.6811;-4.2756,1.8388,8.0131;-5.2268,1.9277,7.4554;-3.4722,2.0549,7.2879;-4.1306,.4151,8.5404;-4.9143,.2282,9.3012;-3.1723,.2708,9.0686;-4.3226,-.6946,7.5292;-4.1775,-1.8975,7.9106;-5.1069,-.47,6.7721; -739.260971862892 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000261970890 0.000054355982 0.027599327078 0.008426404303 0.000300000000 0.000200000000 0.001717748102 0.001145165402 -0.125202137 0.000078423 0.000092141 0.000168107 0.000256073 0.000316677 0.000540810 0.000621143 0.000950693 0.001123473 0.001547979 0.001625143 0.002670818 0.003051115 0.003367358 0.004383891 0.004767735 0.005769889 0.007444631 0.008679543 0.009352741 0.011291946 0.011748181 0.013229008 0.015347328 0.017840004 0.020603448 0.024851005 0.025321260 0.028967281 0.031277127 0.032547369 0.034330918 0.035806992 0.036808977 0.038969968 0.041674867 0.046371763 0.048215830 0.049124455 0.049488683 0.051999553 0.052348198 0.053382694 0.053894727 0.055558692 0.057732843 0.059337476 0.064524955 0.066042318 0.066879391 0.068611905 0.072502381 0.074693346 0.076292336 0.077327308 0.077660323 0.080908323 0.082717933 0.084553205 0.093244778 0.096275450 0.098797289 0.099199430 0.105571158 0.110935267 0.112241295 0.113867902 0.115562108 0.116821207 0.122164939 0.129400047 0.133633820 0.136467872 0.140677722 0.144317324 0.147200632 0.150621205 0.154474255 0.161135770 0.168176667 0.176995923 0.179738671 0.188528328 0.195385113 0.198131414 0.204853681 0.215819476 0.223810284 0.227234345 0.260590525 0.273294142 0.291311822 0.300041462 0.353601446 0.362602242 0.388655576 0.416479243 0.469966533 0.521555698 0.554591339 0.588928957 0.610877598 0.615619163 0.629929331 0.706895193 0.748701621 0.753849180 0.767035538 0.772949618 0.777457011 0.780453079 0.784271571 0.792728630 0.795423779 0.797856147 0.808483195 0.819974544 0.825849312 0.827478397 0.842354510 0.851994469 0.854892286 0.867931706 0.879192873 0.902186359 0.903841803 0.905642026 0.919532020 0.922023444 0.927133924 0.935404751 1.062194314 1.123649322 1.300514916 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:-5.0737,-1.666,1.2778;-4.1046,-1.1421,1.2037;-5.6449,-1.4261,.3648;-4.8693,-2.7518,1.2714;-5.8496,-1.2624,2.5308;-6.8548,-1.7191,2.4941;-6.0118,-.1678,2.5276;-5.1856,-1.6745,3.8469;-5.0629,-2.7705,3.8814;-5.8591,-1.4161,4.6844;-3.8221,-1.019,4.0832;-3.8909,.08,4.0029;-3.11,-1.3417,3.2995;-3.1933,-1.384,5.4016;-1.5116,-.8276,7.2138;-.8749,-1.5864,6.7241;-1.9248,-1.334,8.1065;-.6597,.3722,7.6302;-1.3248,1.1913,7.9618;-.1264,.7595,6.7406;.3559,.1026,8.7447;-.1848,-.1653,9.6733;.8689,1.0571,8.959;1.4106,-.9763,8.4432;2.3478,-.7144,8.9664;1.6556,-.9556,7.3638;1.0185,-2.3951,8.8585;.106,-2.7459,8.3493;1.8261,-3.1113,8.6273;.8292,-2.4446,9.9459;-3.3001,-2.6131,5.7893;-3.6683,-2.538,6.848;-2.6237,-.4411,6.2581;-2.6139,.5904,5.8871;-4.2217,2.8733,9.1302;-5.0275,2.7113,9.8681;-4.33,3.8962,8.7315;-3.2593,2.8225,9.6706;-4.276,1.8343,8.013;-5.2336,1.9265,7.4669;-3.481,2.051,7.2788;-4.1275,.409,8.535;-4.9096,.2181,9.2966;-3.1682,.2648,9.0613;-4.3191,-.698,7.5204;-4.1741,-1.9019,7.8989;-5.1025,-.4712,6.7631; -739.260979896625 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000350656130 0.000061057539 0.026393065573 0.008428163090 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.125202209 0.000080771 0.000108247 0.000181696 0.000258256 0.000316684 0.000539879 0.000616151 0.000949634 0.001123617 0.001549162 0.001625231 0.002670787 0.003051219 0.003367199 0.004384435 0.004768054 0.005769435 0.007444677 0.008680488 0.009352644 0.011291920 0.011748626 0.013229275 0.015347343 0.017840330 0.020603468 0.024850907 0.025321226 0.028967214 0.031277161 0.032547328 0.034330895 0.035806934 0.036808865 0.038969965 0.041674838 0.046371728 0.048215743 0.049124802 0.049488729 0.051999397 0.052348163 0.053382597 0.053894536 0.055558642 0.057732829 0.059337712 0.064524831 0.066042237 0.066879327 0.068611388 0.072502509 0.074693320 0.076292312 0.077327840 0.077660278 0.080908261 0.082717920 0.084553334 0.093244972 0.096275553 0.098797359 0.099199421 0.105571144 0.110935274 0.112241217 0.113868680 0.115562466 0.116821209 0.122165666 0.129399985 0.133633861 0.136468002 0.140677828 0.144317254 0.147200771 0.150621187 0.154474215 0.161135901 0.168176737 0.176995851 0.179738963 0.188528513 0.195385357 0.198132227 0.204854352 0.215819963 0.223820136 0.227231949 0.260590673 0.273294812 0.291313844 0.300043481 0.353602223 0.362602306 0.388656154 0.416479577 0.469966480 0.521555829 0.554591860 0.588928994 0.610877729 0.615619168 0.629929536 0.706895261 0.748701625 0.753849403 0.767036952 0.772949620 0.777458136 0.780453533 0.784271535 0.792728937 0.795423782 0.797857872 0.808483218 0.819974551 0.825849320 0.827478354 0.842355723 0.851995388 0.854894989 0.867931730 0.879193510 0.902186473 0.903842471 0.905643953 0.919532044 0.922024334 0.927133893 0.935404910 1.062194344 1.123650086 1.300515220 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:-5.0889,-1.6743,1.2793;-4.1147,-1.1609,1.1971;-5.6621,-1.4346,.3675;-4.8957,-2.7623,1.2791;-5.8545,-1.2545,2.5334;-6.8643,-1.7018,2.505;-6.0063,-.1583,2.5235;-5.1878,-1.6639,3.849;-5.0738,-2.7608,3.8897;-5.8556,-1.3948,4.6878;-3.8177,-1.018,4.0755;-3.8786,.0812,3.991;-3.1123,-1.3502,3.2897;-3.1861,-1.3833,5.3925;-1.5064,-.8263,7.2067;-.8665,-1.5817,6.7161;-1.9198,-1.3365,8.0971;-.6588,.375,7.6284;-1.3272,1.1935,7.9549;-.1199,.7627,6.7424;.3489,.1077,8.7504;-.1982,-.1604,9.6753;.8589,1.0631,8.9679;1.4077,-.9697,8.458;2.3394,-.707,8.9904;1.663,-.9476,7.3811;1.0138,-2.3895,8.8683;.1077,-2.7418,8.3489;1.8254,-3.1039,8.6456;.8128,-2.4399,9.9534;-3.2901,-2.6132,5.7782;-3.6607,-2.5401,6.837;-2.6185,-.4406,6.2507;-2.6104,.5915,5.8813;-4.213,2.864,9.1322;-5.0144,2.7001,9.874;-4.3232,3.8881,8.7371;-3.2478,2.8113,9.6667;-4.2739,1.8281,8.0128;-5.2341,1.9222,7.4722;-3.483,2.0464,7.275;-4.1234,.4014,8.5303;-4.9045,.2071,9.2918;-3.1635,.2566,9.0553;-4.314,-.7025,7.5123;-4.1681,-1.9074,7.8877;-5.0973,-.4744,6.7555; -739.260983333945 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000400315930 0.000064223838 0.024633626726 0.005573776654 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.125201987 0.000090966 0.000095481 0.000207748 0.000258099 0.000316585 0.000544181 0.000620575 0.000951929 0.001123661 0.001549170 0.001626008 0.002670862 0.003051548 0.003367961 0.004384187 0.004768026 0.005769401 0.007444715 0.008680632 0.009352584 0.011291895 0.011748501 0.013229363 0.015347403 0.017840256 0.020603547 0.024850705 0.025321186 0.028967197 0.031277141 0.032547287 0.034330965 0.035806897 0.036808795 0.038969958 0.041674940 0.046371729 0.048215780 0.049124688 0.049488729 0.051999515 0.052348133 0.053382436 0.053894305 0.055558657 0.057732974 0.059337713 0.064525480 0.066042487 0.066879008 0.068610693 0.072502571 0.074693157 0.076292241 0.077327878 0.077660377 0.080908271 0.082717893 0.084553331 0.093244915 0.096275512 0.098797348 0.099199376 0.105571461 0.110935343 0.112241228 0.113868776 0.115562777 0.116821226 0.122165684 0.129400080 0.133633993 0.136468215 0.140678098 0.144317259 0.147200873 0.150621156 0.154474227 0.161135837 0.168176691 0.176995789 0.179738916 0.188528709 0.195385414 0.198132204 0.204854643 0.215833619 0.223820826 0.227228631 0.260591502 0.273298601 0.291313668 0.300043370 0.353602354 0.362603599 0.388657369 0.416479572 0.469966417 0.521556678 0.554591806 0.588929120 0.610877930 0.615619206 0.629929596 0.706895395 0.748701749 0.753849704 0.767037473 0.772949602 0.777458639 0.780453672 0.784271674 0.792729412 0.795424765 0.797858219 0.808483470 0.819974798 0.825849308 0.827478342 0.842360490 0.851996460 0.854894900 0.867935590 0.879193661 0.902186574 0.903844222 0.905643937 0.919532095 0.922024379 0.927133781 0.935406012 1.062194428 1.123650236 1.300515801 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:-5.0914,-1.6766,1.2768;-4.1176,-1.1633,1.194;-5.6651,-1.4375,.3652;-4.8982,-2.7643,1.2775;-5.8564,-1.2561,2.5307;-6.8659,-1.7034,2.5029;-6.0084,-.1602,2.5199;-5.1892,-1.6646,3.8462;-5.0741,-2.7612,3.8872;-5.857,-1.3959,4.6847;-3.8198,-1.0177,4.0726;-3.8819,.0813,3.9887;-3.1146,-1.3485,3.2864;-3.1871,-1.3834,5.389;-1.5059,-.8259,7.2021;-.8649,-1.5797,6.7106;-1.9183,-1.3377,8.092;-.6604,.3765,7.6248;-1.3303,1.1955,7.9468;-.1181,.7626,6.7402;.3427,.1122,8.7517;-.2083,-.1544,9.6746;.8509,1.0685,8.9693;1.4041,-.9646,8.4666;2.3314,-.7016,9.0065;1.6677,-.9416,7.3917;1.008,-2.3849,8.8731;.1076,-2.7387,8.3449;1.8229,-3.0981,8.6583;.7966,-2.4357,9.9563;-3.2902,-2.6135,5.7741;-3.6601,-2.541,6.8333;-2.6191,-.4407,6.247;-2.6119,.5915,5.8779;-4.1968,2.86,9.137;-4.9898,2.696,9.8886;-4.3106,3.8848,8.7447;-3.2249,2.8054,9.66;-4.2722,1.8257,8.0164;-5.2381,1.923,7.4857;-3.488,2.0428,7.2706;-4.1201,.398,8.5306;-4.899,.2022,9.2941;-3.1588,.2524,9.0529;-4.313,-.704,7.5111;-4.1669,-1.9095,7.8844;-5.0972,-.4744,6.7557; -739.260983465512 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000553292605 0.000101181798 0.026034148328 0.007967675146 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.125201863 0.000023938 0.000101801 0.000251579 0.000258378 0.000330253 0.000571570 0.000625726 0.000953287 0.001123654 0.001548501 0.001625061 0.002671212 0.003051619 0.003367168 0.004383989 0.004768124 0.005769631 0.007444697 0.008680975 0.009352977 0.011291860 0.011748475 0.013229116 0.015347342 0.017840360 0.020603485 0.024850677 0.025321219 0.028967196 0.031277117 0.032547268 0.034331099 0.035806896 0.036808805 0.038969947 0.041675034 0.046371716 0.048215684 0.049124548 0.049488782 0.052001508 0.052348102 0.053383305 0.053894611 0.055558808 0.057733783 0.059337815 0.064528897 0.066046405 0.066879513 0.068610664 0.072503625 0.074693072 0.076292340 0.077330661 0.077661423 0.080908928 0.082718112 0.084553401 0.093245374 0.096275494 0.098797339 0.099199390 0.105571954 0.110935348 0.112241452 0.113869180 0.115565849 0.116821529 0.122165721 0.129400680 0.133634044 0.136469430 0.140679703 0.144317566 0.147202826 0.150621319 0.154474218 0.161136672 0.168176752 0.176995872 0.179739041 0.188532090 0.195388142 0.198138108 0.204861827 0.215850966 0.223880173 0.227230840 0.260591304 0.273308506 0.291328050 0.300048523 0.353605158 0.362603432 0.388677949 0.416481553 0.469966447 0.521556840 0.554592846 0.588931418 0.610878740 0.615619253 0.629929971 0.706896621 0.748702320 0.753850235 0.767040642 0.772950550 0.777460560 0.780453797 0.784272205 0.792729900 0.795426066 0.797865875 0.808483660 0.819975487 0.825849477 0.827478791 0.842366013 0.852004399 0.854901497 0.867940266 0.879193627 0.902186531 0.903858065 0.905647504 0.919532311 0.922029693 0.927133894 0.935406332 1.062195056 1.123651178 1.300515563 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:-5.1005,-1.6913,1.2756;-4.1209,-1.1893,1.1862;-5.6732,-1.4538,.3628;-4.9194,-2.7815,1.2852;-5.8588,-1.2514,2.5275;-6.8732,-1.689,2.5059;-5.9999,-.1537,2.5072;-5.1933,-1.6547,3.8456;-5.0861,-2.752,3.8946;-5.8585,-1.3745,4.6829;-3.8187,-1.0158,4.0657;-3.8738,.0835,3.9784;-3.1179,-1.3545,3.2787;-3.1849,-1.3817,5.3816;-1.5032,-.8244,7.1946;-.8599,-1.5751,6.7012;-1.9145,-1.34,8.0829;-.661,.3792,7.6212;-1.3334,1.1977,7.9387;-.1139,.7652,6.7395;.3354,.1175,8.7546;-.2212,-.1493,9.6742;.8404,1.0749,8.9747;1.4008,-.9573,8.4779;2.3221,-.6939,9.0278;1.6752,-.9316,7.4058;1.003,-2.3791,8.8774;.1099,-2.7344,8.3379;1.822,-3.0901,8.6714;.7787,-2.432,9.958;-3.2868,-2.6124,5.7652;-3.6568,-2.5415,6.8248;-2.6174,-.4396,6.2406;-2.6114,.5931,5.8726;-4.1884,2.8515,9.1462;-4.9828,2.6862,9.8945;-4.2986,3.8783,8.7583;-3.2187,2.7922,9.6708;-4.2639,1.8222,8.0221;-5.2283,1.9229,7.491;-3.4792,2.0414,7.2786;-4.1142,.3922,8.5307;-4.893,.1948,9.2937;-3.1529,.2429,9.0519;-4.3092,-.706,7.5075;-4.163,-1.9128,7.8769;-5.0946,-.4737,6.7541; -739.260980762160 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000795324911 0.000149658010 0.024930354083 0.008389330595 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.125201684 0.000006996 0.000109045 0.000249402 0.000261404 0.000344492 0.000585589 0.000708331 0.000953401 0.001123685 0.001551014 0.001626342 0.002671308 0.003051703 0.003368121 0.004384416 0.004768455 0.005770418 0.007444625 0.008681406 0.009353413 0.011291816 0.011748347 0.013229155 0.015347360 0.017840707 0.020603436 0.024850550 0.025321193 0.028967259 0.031277107 0.032547207 0.034331244 0.035806891 0.036808792 0.038969951 0.041675046 0.046371702 0.048215641 0.049124491 0.049488731 0.052001917 0.052348016 0.053385087 0.053894278 0.055559106 0.057736645 0.059338762 0.064532779 0.066051916 0.066879499 0.068609835 0.072505147 0.074692793 0.076292684 0.077333697 0.077664784 0.080909076 0.082718396 0.084553412 0.093245526 0.096275460 0.098797302 0.099199434 0.105572730 0.110935441 0.112241813 0.113869130 0.115570633 0.116821889 0.122166823 0.129401384 0.133634027 0.136470863 0.140680897 0.144318936 0.147203751 0.150621384 0.154475191 0.161136501 0.168177598 0.176995887 0.179739287 0.188538539 0.195387973 0.198138440 0.204872720 0.215942833 0.223926437 0.227225835 0.260594714 0.273340065 0.291346682 0.300048081 0.353605678 0.362608798 0.388713002 0.416481828 0.469966394 0.521557945 0.554595104 0.588931735 0.610881048 0.615619442 0.629929948 0.706896610 0.748702371 0.753851527 0.767040852 0.772953361 0.777462777 0.780454059 0.784272328 0.792740278 0.795428004 0.797866089 0.808483824 0.819975898 0.825849551 0.827479410 0.842381194 0.852020301 0.854904411 0.867959886 0.879197317 0.902186518 0.903898188 0.905647350 0.919532502 0.922031954 0.927134140 0.935413263 1.062195065 1.123651242 1.300516142 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:-5.0917,-1.677,1.2772;-4.1173,-1.1644,1.1941;-5.6652,-1.4378,.3654;-4.8992,-2.765,1.2781;-5.8563,-1.2556,2.5311;-6.8663,-1.7023,2.5035;-6.0076,-.1594,2.52;-5.1893,-1.6641,3.8468;-5.075,-2.7608,3.8881;-5.857,-1.3946,4.6853;-3.8195,-1.0178,4.0728;-3.8808,.0813,3.9886;-3.1145,-1.3495,3.2867;-3.187,-1.3833,5.3894;-1.5058,-.8259,7.2025;-.8649,-1.5799,6.711;-1.9182,-1.3377,8.0924;-.6599,.3762,7.6252;-1.3296,1.1951,7.948;-.1181,.7627,6.7405;.3438,.1114,8.7514;-.2067,-.1556,9.6745;.8521,1.0676,8.9692;1.4047,-.9653,8.4652;2.3326,-.7023,9.004;1.6671,-.9423,7.3901;1.0092,-2.3856,8.872;.108,-2.7391,8.3453;1.8234,-3.099,8.6558;.7995,-2.4365,9.9554;-3.2904,-2.6134,5.7747;-3.6601,-2.5408,6.8339;-2.6189,-.4407,6.2474;-2.6115,.5914,5.8781;-4.2017,2.8604,9.1367;-4.9993,2.6965,9.8825;-4.3125,3.8853,8.7438;-3.2338,2.8056,9.6659;-4.27,1.8263,8.0161;-5.2326,1.923,7.4803;-3.4822,2.0442,7.275;-4.1198,.3986,8.5309;-4.8997,.2037,9.2935;-3.1592,.2523,9.0542;-4.3126,-.7035,7.5116;-4.1666,-1.909,7.8851;-5.097,-.4741,6.7563; -739.260984095687 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000174853805 0.000037241212 0.032265607161 0.008469712776 0.000300000000 0.000200000000 0.002573578536 0.001715719024 -0.125201693 -0.000108461 0.000104098 0.000178211 0.000258777 0.000330721 0.000591040 0.000791956 0.000955381 0.001127211 0.001556701 0.001637404 0.002674497 0.003051675 0.003370065 0.004384010 0.004769784 0.005773595 0.007443975 0.008683312 0.009353805 0.011291820 0.011748060 0.013229027 0.015346938 0.017840734 0.020604077 0.024850616 0.025321324 0.028967803 0.031277080 0.032547249 0.034331444 0.035806914 0.036808945 0.038969951 0.041675032 0.046371722 0.048215732 0.049124191 0.049489057 0.052004739 0.052348211 0.053386632 0.053893928 0.055559392 0.057740224 0.059339717 0.064535347 0.066069304 0.066879727 0.068611112 0.072506874 0.074693262 0.076292833 0.077347982 0.077675988 0.080910131 0.082720478 0.084554340 0.093247968 0.096275301 0.098797394 0.099199519 0.105573796 0.110935862 0.112242418 0.113869213 0.115581249 0.116823589 0.122168764 0.129402175 0.133634175 0.136472562 0.140686374 0.144324779 0.147204044 0.150621477 0.154477758 0.161136460 0.168177898 0.176996713 0.179739558 0.188562692 0.195385591 0.198140666 0.204923899 0.216014403 0.224139703 0.227244422 0.260598959 0.273371796 0.291420627 0.300051754 0.353604958 0.362611822 0.388812793 0.416482528 0.469966664 0.521558550 0.554604731 0.588931706 0.610892664 0.615619529 0.629930410 0.706896464 0.748702632 0.753852202 0.767041090 0.772958601 0.777463778 0.780454224 0.784272590 0.792755033 0.795429865 0.797870870 0.808483999 0.819976113 0.825849703 0.827479831 0.842390285 0.852042704 0.854928957 0.867969445 0.879200708 0.902189638 0.903979327 0.905649967 0.919532801 0.922040801 0.927139013 0.935419909 1.062195205 1.123653157 1.300517095 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:-5.0899,-1.6938,1.2809;-4.1076,-1.1967,1.1936;-5.6581,-1.4562,.3654;-4.9138,-2.7848,1.2943;-5.8506,-1.2467,2.5288;-6.8667,-1.6801,2.5052;-5.987,-.1484,2.5046;-5.1912,-1.6488,3.8503;-5.0878,-2.7463,3.9028;-5.8584,-1.3639,4.6845;-3.8153,-1.0139,4.0734;-3.8667,.0854,3.9843;-3.1134,-1.3559,3.2888;-3.1856,-1.3799,5.3911;-1.5057,-.8254,7.2059;-.8658,-1.5797,6.7138;-1.9185,-1.3372,8.0956;-.6584,.3753,7.6295;-1.3268,1.1933,7.9568;-.1191,.7644,6.7444;.3487,.1066,8.7515;-.1988,-.1644,9.6752;.8572,1.0622,8.9716;1.4094,-.9683,8.458;2.3387,-.7065,8.9947;1.6684,-.9411,7.3822;1.0165,-2.3905,8.8608;.1145,-2.7433,8.3349;1.831,-3.1021,8.6401;.8094,-2.4456,9.9444;-3.2902,-2.6103,5.7751;-3.6596,-2.5387,6.8344;-2.6183,-.4383,6.2507;-2.6099,.5942,5.8826;-4.2202,2.8616,9.1382;-5.0237,2.6943,9.8782;-4.3324,3.886,8.7442;-3.2556,2.8107,9.6754;-4.2752,1.8274,8.0163;-5.2347,1.92,7.4729;-3.4822,2.0486,7.2807;-4.1228,.4003,8.5321;-4.9037,.2043,9.2935;-3.1627,.2559,9.0569;-4.3126,-.7024,7.513;-4.1658,-1.9078,7.8867;-5.0966,-.474,6.757; -739.260981017097 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000769210330 0.000163601888 0.032957165610 0.008507307931 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.125201559 -0.000013686 0.000126478 0.000197311 0.000257568 0.000330614 0.000584315 0.000793972 0.000958566 0.001129340 0.001558803 0.001637674 0.002675255 0.003051760 0.003369897 0.004383805 0.004770853 0.005773826 0.007444540 0.008683529 0.009353890 0.011291848 0.011748069 0.013228738 0.015347049 0.017840748 0.020604114 0.024850618 0.025321433 0.028967953 0.031277112 0.032547420 0.034331450 0.035806921 0.036808971 0.038970242 0.041675040 0.046371748 0.048216080 0.049124425 0.049489085 0.052004787 0.052348964 0.053386883 0.053894537 0.055559372 0.057740522 0.059342123 0.064535034 0.066071490 0.066882899 0.068610720 0.072507044 0.074693121 0.076293178 0.077350892 0.077680080 0.080910488 0.082720991 0.084554573 0.093248408 0.096275373 0.098797444 0.099199486 0.105573914 0.110937442 0.112243496 0.113869355 0.115582619 0.116824379 0.122169617 0.129402492 0.133634236 0.136472434 0.140687499 0.144325642 0.147203829 0.150621483 0.154480424 0.161136835 0.168182337 0.176997316 0.179739537 0.188573698 0.195388113 0.198140888 0.204949411 0.216012622 0.224181933 0.227319274 0.260602331 0.273370243 0.291448153 0.300053159 0.353611430 0.362612171 0.388844014 0.416486135 0.469966791 0.521558850 0.554610378 0.588931747 0.610895768 0.615619644 0.629930523 0.706896617 0.748702658 0.753852845 0.767041423 0.772962437 0.777464174 0.780454265 0.784272957 0.792762548 0.795433710 0.797872090 0.808484693 0.819976158 0.825849699 0.827480158 0.842401196 0.852044151 0.854951233 0.867982717 0.879201533 0.902191296 0.904017258 0.905651382 0.919532875 0.922042077 0.927161117 0.935420165 1.062195300 1.123653244 1.300517178 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:-5.0927,-1.7049,1.2775;-4.1108,-1.2086,1.1873;-5.6608,-1.4732,.3604;-4.9167,-2.7954,1.298;-5.8531,-1.2502,2.5222;-6.8693,-1.6825,2.5003;-5.9884,-.1524,2.4916;-5.1947,-1.6456,3.8463;-5.0917,-2.7426,3.9042;-5.8622,-1.3563,4.6783;-3.8188,-1.0107,4.0677;-3.8704,.0884,3.9788;-3.1181,-1.3526,3.2822;-3.1872,-1.3775,5.3844;-1.5055,-.8233,7.1979;-.8631,-1.574,6.7033;-1.9168,-1.3396,8.0858;-.6618,.3788,7.6257;-1.3331,1.1964,7.9481;-.1175,.7676,6.7435;.3383,.1128,8.7547;-.215,-.1583,9.6749;.8436,1.0696,8.9773;1.4032,-.9602,8.4697;2.3267,-.6981,9.0165;1.6731,-.9303,7.3966;1.0084,-2.3838,8.8656;.113,-2.7374,8.3294;1.8266,-3.0934,8.6527;.7896,-2.4411,9.9467;-3.29,-2.6084,5.7669;-3.6594,-2.5385,6.8267;-2.6197,-.4364,6.2446;-2.6128,.5965,5.8776;-4.1958,2.8544,9.1487;-4.9907,2.6882,9.8967;-4.3073,3.8807,8.7601;-3.2261,2.797,9.6743;-4.2689,1.8243,8.0247;-5.2334,1.9235,7.4927;-3.4838,2.0442,7.2816;-4.1178,.3947,8.5338;-4.8966,.1967,9.2967;-3.1565,.2465,9.0553;-4.3117,-.7036,7.5106;-4.165,-1.9104,7.8798;-5.0969,-.4716,6.7571; -739.260982212877 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000277304780 0.000070078585 0.037753323701 0.008407372739 0.000300000000 0.000200000000 0.001622763230 0.001081842153 -0.125201337 0.000062531 0.000094791 0.000191780 0.000262215 0.000341707 0.000590236 0.000778540 0.000965973 0.001137841 0.001561337 0.001639096 0.002677921 0.003051899 0.003370538 0.004383958 0.004772214 0.005773857 0.007444930 0.008683608 0.009353702 0.011291764 0.011747914 0.013228256 0.015347286 0.017840640 0.020604194 0.024850552 0.025321414 0.028968020 0.031277099 0.032547465 0.034331386 0.035806912 0.036809006 0.038970784 0.041675109 0.046371726 0.048216127 0.049124425 0.049489115 0.052004607 0.052348949 0.053385597 0.053894096 0.055559280 0.057735909 0.059337842 0.064536757 0.066072172 0.066882960 0.068610959 0.072506307 0.074693415 0.076292157 0.077351592 0.077682249 0.080911185 0.082721749 0.084554516 0.093248836 0.096275376 0.098797338 0.099199475 0.105573710 0.110936946 0.112243976 0.113869437 0.115583048 0.116825037 0.122170140 0.129402280 0.133634813 0.136472351 0.140687453 0.144326323 0.147208897 0.150621706 0.154482405 0.161136344 0.168181598 0.176997700 0.179739764 0.188577991 0.195386770 0.198143433 0.204959824 0.215997424 0.224211489 0.227316097 0.260602688 0.273368120 0.291460794 0.300055390 0.353607942 0.362613552 0.388865196 0.416488522 0.469966674 0.521560898 0.554615153 0.588931773 0.610896337 0.615619780 0.629931236 0.706898311 0.748703778 0.753852324 0.767043630 0.772964796 0.777464342 0.780454198 0.784275061 0.792763686 0.795432978 0.797878211 0.808484501 0.819976146 0.825849708 0.827480106 0.842408459 0.852047039 0.854955676 0.867981393 0.879201451 0.902204026 0.904031978 0.905655486 0.919532721 0.922044006 0.927153623 0.935419960 1.062195479 1.123653844 1.300516837 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:-5.0913,-1.6819,1.2768;-4.1163,-1.1709,1.1925;-5.6641,-1.4445,.3641;-4.9005,-2.7703,1.2811;-5.8558,-1.2556,2.5293;-6.8664,-1.7009,2.5028;-6.0055,-.1592,2.515;-5.19,-1.6615,3.8465;-5.0768,-2.7583,3.8906;-5.8578,-1.3892,4.6841;-3.8195,-1.0162,4.0717;-3.8799,.0829,3.987;-3.1151,-1.349,3.2856;-3.1869,-1.3819,5.3882;-1.5058,-.8251,7.2015;-.8646,-1.5785,6.7095;-1.9181,-1.3377,8.091;-.6604,.377,7.6253;-1.3302,1.1956,7.9481;-.1181,.7641,6.7411;.3426,.1117,8.7519;-.2084,-.1559,9.6744;.8507,1.0679,8.9705;1.4037,-.9647,8.4657;2.3314,-.7017,9.0047;1.6664,-.9413,7.3908;1.0083,-2.3852,8.872;.107,-2.7384,8.3455;1.8222,-3.0985,8.6553;.7989,-2.4366,9.9552;-3.29,-2.6122,5.773;-3.66,-2.54,6.8322;-2.6189,-.4396,6.2465;-2.6117,.5927,5.8777;-4.1989,2.8592,9.1397;-4.9947,2.6946,9.8878;-4.3107,3.8844,8.7481;-3.2293,2.8035,9.6663;-4.2705,1.8262,8.018;-5.2346,1.9238,7.4845;-3.4843,2.0443,7.2749;-4.1196,.398,8.5312;-4.8991,.2021,9.294;-3.1587,.2514,9.0538;-4.3127,-.7032,7.5109;-4.1667,-1.909,7.8835;-5.097,-.4731,6.7558; -739.260983975844 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000275917453 0.000051791714 0.006482016965 0.001493663707 0.000300000000 0.000200000000 0.001630922567 0.001087281711 -0.125201446 0.000065979 0.000114792 0.000126800 0.000291158 0.000348932 0.000703448 0.000764999 0.000970993 0.001142921 0.001566942 0.001656052 0.002686555 0.003051464 0.003371553 0.004385791 0.004773632 0.005774228 0.007445296 0.008684946 0.009353406 0.011292100 0.011748133 0.013228123 0.015347340 0.017840636 0.020604016 0.024850759 0.025321355 0.028968323 0.031277066 0.032547503 0.034331528 0.035806997 0.036809040 0.038970970 0.041675153 0.046371296 0.048215829 0.049125692 0.049489883 0.052004174 0.052348989 0.053382288 0.053893030 0.055559438 0.057731149 0.059330267 0.064537575 0.066076829 0.066878194 0.068612267 0.072504358 0.074694676 0.076291245 0.077356373 0.077690552 0.080913610 0.082722605 0.084555877 0.093249494 0.096276994 0.098797086 0.099199567 0.105573592 0.110934989 0.112243005 0.113869981 0.115586228 0.116826065 0.122170826 0.129401227 0.133635027 0.136472173 0.140688637 0.144327944 0.147210683 0.150621271 0.154483576 0.161138267 0.168178046 0.176998529 0.179741798 0.188586686 0.195393155 0.198176644 0.204975418 0.216039326 0.224281155 0.227353501 0.260605387 0.273381785 0.291487145 0.300087357 0.353626114 0.362635400 0.388895223 0.416503076 0.469974796 0.521578872 0.554618178 0.588934805 0.610898600 0.615622055 0.629931765 0.706899299 0.748712417 0.753852054 0.767076577 0.772966261 0.777494654 0.780454234 0.784277139 0.792783663 0.795431268 0.797904200 0.808486328 0.819976548 0.825850034 0.827480357 0.842406987 0.852055739 0.854959012 0.867975228 0.879222325 0.902208443 0.904049330 0.905676147 0.919533065 0.922046126 0.927150336 0.935423144 1.062196817 1.123654801 1.300518022 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:-5.0893,-1.6812,1.2773;-4.1145,-1.1697,1.194;-5.6616,-1.4437,.3643;-4.8978,-2.7693,1.281;-5.855,-1.2561,2.5292;-6.8653,-1.7019,2.5015;-6.0052,-.1599,2.5154;-5.19,-1.6622,3.8466;-5.0763,-2.7589,3.8903;-5.8585,-1.3906,4.6838;-3.82,-1.0164,4.0731;-3.8808,.0827,3.9886;-3.1148,-1.3486,3.2874;-3.188,-1.3821,5.3899;-1.5066,-.8255,7.2028;-.866,-1.5794,6.7108;-1.9188,-1.3375,8.0927;-.6603,.3763,7.6258;-1.3297,1.1951,7.9492;-.1187,.7631,6.7411;.3437,.1106,8.7515;-.2066,-.1574,9.6745;.8518,1.0668,8.9701;1.4051,-.9654,8.4643;2.3324,-.703,9.0044;1.6684,-.9404,7.3894;1.0097,-2.3866,8.8682;.1098,-2.7402,8.339;1.8251,-3.0989,8.6527;.7977,-2.4393,9.9512;-3.2916,-2.6122,5.775;-3.6612,-2.5397,6.8342;-2.6198,-.4397,6.248;-2.6122,.5925,5.879;-4.2014,2.861,9.1384;-4.9981,2.6968,9.8854;-4.313,3.8859,8.7458;-3.2327,2.8062,9.6664;-4.271,1.827,8.0176;-5.2343,1.9239,7.4828;-3.4839,2.0449,7.2756;-4.1203,.3993,8.532;-4.9,.204,9.2948;-3.1595,.2529,9.0549;-4.3134,-.7027,7.5125;-4.1674,-1.9082,7.8858;-5.0978,-.473,6.7573; -739.260984171555 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000139646291 0.000031926625 0.008597851341 0.002126663976 0.000300000000 0.000200000000 0.003222427153 0.002148284768 -0.125201226 0.000007415 0.000105339 0.000192216 0.000285203 0.000372572 0.000712291 0.000757076 0.000971062 0.001147843 0.001569187 0.001676557 0.002703103 0.003052683 0.003372049 0.004387853 0.004774194 0.005775418 0.007445620 0.008685454 0.009353427 0.011292646 0.011747749 0.013227759 0.015347473 0.017840690 0.020604263 0.024850822 0.025321343 0.028968544 0.031277197 0.032547505 0.034331691 0.035807074 0.036809148 0.038971092 0.041675196 0.046371239 0.048216057 0.049126660 0.049491453 0.052003616 0.052349187 0.053381110 0.053893889 0.055559524 0.057732242 0.059332008 0.064536629 0.066080021 0.066877480 0.068611450 0.072503069 0.074694709 0.076291739 0.077356549 0.077700761 0.080914745 0.082723241 0.084556654 0.093249741 0.096278424 0.098797057 0.099199542 0.105573670 0.110934933 0.112243340 0.113870030 0.115588475 0.116827106 0.122171255 0.129400666 0.133634998 0.136472070 0.140688921 0.144330777 0.147209833 0.150621242 0.154485250 0.161138519 0.168179676 0.177000105 0.179744850 0.188595086 0.195404815 0.198222476 0.204991554 0.216042357 0.224315475 0.227524531 0.260605265 0.273381278 0.291505325 0.300117939 0.353678552 0.362657777 0.388914487 0.416515086 0.469991169 0.521601023 0.554620267 0.588938433 0.610901028 0.615626145 0.629932215 0.706899466 0.748721917 0.753852513 0.767108965 0.772967402 0.777530316 0.780454351 0.784278221 0.792802411 0.795432570 0.797928830 0.808488782 0.819976731 0.825850585 0.827480466 0.842408575 0.852064878 0.854963642 0.867976874 0.879241605 0.902210449 0.904066295 0.905700750 0.919534366 0.922048493 0.927154694 0.935424375 1.062197122 1.123655039 1.300518433 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:-5.0871,-1.6788,1.2777;-4.1123,-1.1669,1.1958;-5.6587,-1.4402,.3646;-4.8953,-2.7669,1.2801;-5.8537,-1.2555,2.5297;-6.864,-1.7015,2.5007;-6.0042,-.1593,2.5172;-5.1895,-1.6632,3.847;-5.0759,-2.7599,3.8896;-5.8584,-1.3924,4.6841;-3.8196,-1.0176,4.0748;-3.8803,.0816,3.9902;-3.1137,-1.3497,3.2897;-3.1888,-1.383,5.3921;-1.5077,-.8263,7.2053;-.8673,-1.5808,6.7138;-1.9202,-1.3376,8.0955;-.6609,.3753,7.6277;-1.3299,1.1938,7.9528;-.1209,.7628,6.7424;.3452,.109,8.7514;-.2032,-.1603,9.675;.8533,1.0651,8.9701;1.4063,-.9664,8.4607;2.3352,-.7037,8.9978;1.6662,-.9411,7.3852;1.013,-2.3878,8.8657;.1108,-2.7409,8.3407;1.8271,-3.1001,8.6459;.8063,-2.4412,9.9493;-3.2933,-2.613,5.7777;-3.6627,-2.5399,6.8368;-2.6205,-.4406,6.2501;-2.6123,.5914,5.8806;-4.2047,2.8632,9.1357;-5.0025,2.6998,9.8817;-4.3159,3.8875,8.7416;-3.2367,2.8093,9.6652;-4.2724,1.8278,8.016;-5.235,1.9239,7.4796;-3.4842,2.045,7.2749;-4.1223,.4007,8.5322;-4.9025,.2064,9.2947;-3.1618,.2548,9.056;-4.3147,-.7024,7.5137;-4.1689,-1.9075,7.8882;-5.0988,-.4734,6.7579; -739.260984047957 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000107754278 0.000028819189 0.008356791025 0.002725169021 0.000300000000 0.000200000000 0.004176168319 0.002784112213 -0.125201155 0.000077672 0.000125470 0.000220362 0.000291007 0.000380942 0.000688058 0.000738624 0.000974410 0.001147522 0.001573012 0.001688620 0.002711591 0.003056356 0.003373203 0.004388023 0.004774467 0.005775649 0.007445431 0.008685399 0.009353450 0.011292578 0.011747408 0.013226502 0.015346909 0.017840590 0.020604507 0.024850796 0.025321380 0.028968552 0.031277460 0.032547550 0.034331847 0.035807160 0.036809209 0.038971174 0.041675249 0.046371275 0.048216328 0.049126576 0.049492162 0.052003527 0.052349268 0.053380861 0.053894226 0.055559604 0.057732435 0.059332931 0.064536970 0.066080244 0.066877404 0.068611758 0.072501852 0.074694947 0.076292024 0.077357607 0.077700474 0.080915053 0.082724310 0.084556567 0.093249812 0.096278975 0.098797024 0.099199557 0.105573877 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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:-5.0911,-1.6813,1.2774;-4.1152,-1.1719,1.1935;-5.6634,-1.4429,.3647;-4.902,-2.7698,1.2814;-5.8552,-1.2541,2.5296;-6.8664,-1.698,2.5028;-6.0034,-.1576,2.5154;-5.1901,-1.6608,3.8468;-5.078,-2.7576,3.8908;-5.8579,-1.3878,4.6842;-3.8191,-1.0169,4.0724;-3.8784,.0823,3.9872;-3.1147,-1.3506,3.2866;-3.1872,-1.3826,5.3891;-1.506,-.8257,7.2024;-.8651,-1.5794,6.7106;-1.9183,-1.3378,8.0922;-.6603,.3764,7.6256;-1.33,1.1951,7.9485;-.1183,.7632,6.7411;.3432,.1113,8.7518;-.2074,-.1565,9.6746;.8511,1.0676,8.9704;1.4048,-.9647,8.4653;2.3321,-.7018,9.0052;1.6682,-.9403,7.3905;1.0097,-2.3856,8.8701;.1095,-2.7392,8.3419;1.8246,-3.0982,8.6542;.7987,-2.4379,9.9531;-3.2907,-2.6127,5.774;-3.6603,-2.5405,6.8334;-2.6192,-.4402,6.2475;-2.6118,.592,5.8786;-4.201,2.8599,9.1379;-4.997,2.6955,9.8857;-4.3133,3.8847,8.7454;-3.2317,2.8054,9.665;-4.2714,1.8259,8.0172;-5.2351,1.9226,7.4831;-3.4849,2.0439,7.2745;-4.1201,.3982,8.5315;-4.8995,.2026,9.2944;-3.1591,.2522,9.0542;-4.3128,-.7037,7.5118;-4.1666,-1.9092,7.8849;-5.0973,-.4741,6.7566; 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