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:-3.2057,-2.1458,1.3923;-4.0111,-1.9704,.6568;-3.0168,-3.2333,1.4282;-2.2918,-1.6578,1.0129;-3.59,-1.6114,2.769;-3.7433,-.5169,2.7144;-2.7487,-1.7672,3.4702;-4.8495,-2.2705,3.3322;-4.6873,-3.3587,3.4305;-5.6865,-2.1367,2.623;-5.2766,-1.7145,4.6993;-6.2016,-2.223,5.0249;-5.4828,-.6337,4.6202;-4.2175,-1.9571,5.7371;-2.1355,-1.1318,6.9193;-1.5931,-1.7986,6.223;-2.1401,-1.6724,7.8843;-1.374,.1852,7.0543;-1.9325,.8715,7.7189;-1.331,.6853,6.0677;.0417,.0064,7.5955;.6017,-.6813,6.9328;-.0074,-.494,8.5818;.8119,1.3192,7.7305;.2485,2.0033,8.3929;.8555,1.8174,6.7438;2.2268,1.1351,8.2722;2.8239,.4826,7.6104;2.7547,2.1002,8.3585;2.2115,.6687,9.2735;-4.0095,-3.1873,6.0811;-3.9936,-3.161,7.1947;-3.5502,-.9331,6.4093;-3.8169,.083,6.0981;-4.62,2.1375,9.7442;-5.152,1.8587,10.671;-4.9903,3.1274,9.4276;-3.5489,2.2432,9.9933;-4.8264,1.0925,8.6505;-5.9012,1.0293,8.3968;-4.3128,1.4268,7.7327;-4.3207,-.288,9.0582;-4.7924,-.5776,10.018;-3.2352,-.2807,9.2575;-4.6558,-1.432,8.122;-4.2104,-2.5916,8.3914;-5.6744,-1.3477,7.6785; -739.265317587468 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.002220257578 0.000415641720 0.025087951588 0.008423075687 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.095391377 0.000031136 0.000082940 0.000146060 0.000249317 0.000351339 0.000526666 0.000594491 0.000897738 0.001308357 0.001503954 0.001916406 0.002764010 0.002897850 0.003130984 0.003284027 0.004287126 0.005496269 0.006525606 0.006971346 0.007758645 0.009374022 0.013493891 0.014097277 0.016178586 0.019889187 0.020579260 0.024016917 0.026658129 0.027542417 0.028810462 0.029832782 0.030293977 0.037174727 0.038729320 0.039516696 0.040348308 0.041432877 0.043230878 0.046742640 0.049392867 0.050954391 0.051555065 0.051664193 0.052444611 0.055677956 0.059825219 0.062113032 0.065516700 0.066310204 0.067284611 0.069968668 0.073090174 0.075228107 0.077401865 0.077630938 0.079397856 0.080406217 0.080599894 0.087611799 0.092254214 0.093015428 0.098840040 0.104296264 0.107521008 0.111744935 0.112740433 0.115228846 0.115720891 0.118132828 0.119794814 0.130665368 0.131682292 0.135621922 0.141552664 0.146320954 0.151834122 0.152597189 0.154582302 0.162302856 0.164363274 0.171528252 0.183514861 0.187935944 0.195524507 0.202850651 0.205576558 0.218424830 0.224313960 0.236916619 0.262074646 0.275092948 0.289931009 0.304127425 0.342187212 0.377197388 0.399904665 0.424933684 0.494346580 0.544819582 0.554590015 0.574573024 0.592217020 0.609549369 0.634099802 0.704742688 0.762550571 0.766781562 0.767923924 0.771158767 0.771925402 0.774517753 0.782379714 0.790229409 0.792737695 0.795705449 0.799944788 0.813720123 0.826041504 0.837374654 0.842236475 0.850998937 0.853799090 0.875464799 0.889545825 0.891530119 0.902949713 0.908058972 0.923013592 0.928454008 0.929391127 0.935732153 1.061254046 1.146692011 1.313123260 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:-3.2165,-2.1507,1.3837;-4.0254,-1.9824,.6504;-3.0207,-3.237,1.422;-2.3068,-1.6582,1;-3.5994,-1.615,2.7603;-3.7598,-.5215,2.703;-2.7547,-1.7634,3.459;-4.8527,-2.2801,3.3303;-4.6831,-3.367,3.4319;-5.6931,-2.1542,2.6237;-5.2773,-1.7221,4.6973;-6.1987,-2.2343,5.0274;-5.4893,-.6426,4.6157;-4.213,-1.9591,5.7322;-2.1308,-1.125,6.9109;-1.582,-1.7885,6.2161;-2.14,-1.6687,7.8741;-1.3708,.1927,7.0557;-1.9326,.8756,7.7211;-1.3236,.6977,6.0718;.0434,.0127,7.6017;.6056,-.6733,6.9391;-.0089,-.4903,8.5866;.8146,1.3246,7.7429;.2504,2.0075,8.4058;.8616,1.8258,6.7578;2.2281,1.1376,8.2876;2.8264,.4865,7.6255;2.7568,2.1021,8.3776;2.2104,.6687,9.2876;-4.0049,-3.1867,6.0817;-4.0049,-3.1559,7.2055;-3.5427,-.9295,6.393;-3.8077,.0847,6.073;-4.6028,2.1364,9.7452;-5.129,1.8626,10.6768;-4.9677,3.1289,9.4309;-3.5286,2.233,9.9846;-4.8274,1.0922,8.6543;-5.9051,1.0358,8.4113;-4.3199,1.4198,7.7308;-4.3274,-.2905,9.0589;-4.7992,-.5812,10.0185;-3.2416,-.2897,9.2569;-4.6655,-1.4285,8.1195;-4.2212,-2.5884,8.388;-5.6796,-1.3422,7.6673; -739.265371503752 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000424118644 0.000074213817 0.027245922786 0.008418375062 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.095338508 0.000017245 0.000099526 0.000145787 0.000253533 0.000356668 0.000532849 0.000598424 0.000921717 0.001309022 0.001504508 0.001924912 0.002780424 0.002902671 0.003130864 0.003287976 0.004287510 0.005496131 0.006523846 0.006959546 0.007803190 0.009376689 0.013463103 0.014083282 0.016156780 0.019884712 0.020573510 0.023996179 0.026658159 0.027542337 0.028810399 0.029832341 0.030294759 0.037175064 0.038728146 0.039515282 0.040347976 0.041432635 0.043230440 0.046734605 0.049392469 0.050954392 0.051555056 0.051663961 0.052444775 0.055675421 0.059824784 0.062112938 0.065517017 0.066309765 0.067284673 0.069968370 0.073089720 0.075228262 0.077401827 0.077631019 0.079397460 0.080405999 0.080601015 0.087611706 0.092253575 0.093015249 0.098839311 0.104300111 0.107521062 0.111744932 0.112740359 0.115229599 0.115721251 0.118131475 0.119795884 0.130669903 0.131683255 0.135622104 0.141552471 0.146323935 0.151834012 0.152597490 0.154582318 0.162303012 0.164363223 0.171527823 0.183514879 0.187936103 0.195525193 0.202855346 0.205577937 0.218425020 0.224313052 0.236916834 0.262078648 0.275096015 0.289932411 0.304124367 0.342184796 0.377189082 0.399905973 0.424928831 0.494346631 0.544820176 0.554590510 0.574573164 0.592217283 0.609549349 0.634099403 0.704743003 0.762550481 0.766781602 0.767923915 0.771158924 0.771925653 0.774517762 0.782380023 0.790229355 0.792737849 0.795705427 0.799945197 0.813720278 0.826041483 0.837374642 0.842236517 0.850998962 0.853799159 0.875464728 0.889545852 0.891530120 0.902950072 0.908059216 0.923014062 0.928453981 0.929391102 0.935731939 1.061252675 1.146692735 1.313139659 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:-3.232,-2.1636,1.373;-4.0449,-2.0003,.6429;-3.0346,-3.2494,1.4161;-2.3249,-1.6719,.9819;-3.6086,-1.621,2.7486;-3.7701,-.528,2.6863;-2.7605,-1.7652,3.4441;-4.8587,-2.2838,3.328;-4.6886,-3.3702,3.4336;-5.7028,-2.1611,2.6252;-5.2762,-1.7199,4.6948;-6.1976,-2.2286,5.0304;-5.4859,-.6402,4.6105;-4.2089,-1.9565,5.7269;-2.1267,-1.1219,6.9053;-1.5754,-1.7819,6.2091;-2.1373,-1.6696,7.8663;-1.3694,.1964,7.0571;-1.935,.8765,7.7221;-1.3189,.7044,6.0749;.0427,.0169,7.6088;.609,-.666,6.9464;-.0134,-.4896,8.5917;.8111,1.3294,7.7581;.2427,2.0092,8.4207;.8621,1.8341,6.7749;2.2223,1.1426,8.309;2.8247,.4946,7.6475;2.7492,2.1075,8.4049;2.2004,.6702,9.3073;-3.9999,-3.184,6.0759;-4.0005,-3.1536,7.2007;-3.5377,-.9268,6.3859;-3.8029,.0872,6.0658;-4.587,2.136,9.7439;-5.1045,1.8633,10.6807;-4.9533,3.129,9.4328;-3.5104,2.231,9.9729;-4.8235,1.092,8.6554;-5.9034,1.0377,8.4218;-4.3236,1.4185,7.7274;-4.3226,-.2916,9.0563;-4.792,-.5838,10.0167;-3.2364,-.2907,9.2518;-4.6619,-1.4282,8.116;-4.2162,-2.5884,8.3816;-5.6756,-1.3415,7.6635; -739.265379725305 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000348475096 0.000065001078 0.028608363909 0.008430829470 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.095354326 0.000037226 0.000091454 0.000145708 0.000252835 0.000355268 0.000535844 0.000598132 0.000919928 0.001309006 0.001504534 0.001924595 0.002780339 0.002902721 0.003130882 0.003288065 0.004287454 0.005496254 0.006523691 0.006959532 0.007803546 0.009376777 0.013468319 0.014083203 0.016157249 0.019885298 0.020575039 0.024001628 0.026658196 0.027542545 0.028810431 0.029832326 0.030294822 0.037175227 0.038728511 0.039515904 0.040348831 0.041432679 0.043230576 0.046737267 0.049392427 0.050954414 0.051555052 0.051664011 0.052444795 0.055677030 0.059825316 0.062112822 0.065517136 0.066309630 0.067284602 0.069968445 0.073090518 0.075228247 0.077402112 0.077630917 0.079397469 0.080406966 0.080601282 0.087611685 0.092253570 0.093015225 0.098841147 0.104301188 0.107521216 0.111744963 0.112740300 0.115229579 0.115721325 0.118132514 0.119796308 0.130671594 0.131683736 0.135622324 0.141552401 0.146324423 0.151834088 0.152597471 0.154582429 0.162303509 0.164363113 0.171527800 0.183514871 0.187936490 0.195525212 0.202855476 0.205577869 0.218425076 0.224316311 0.236916360 0.262078920 0.275098198 0.289932228 0.304124996 0.342185808 0.377189164 0.399906657 0.424929564 0.494346595 0.544820221 0.554590694 0.574573338 0.592217334 0.609549349 0.634099802 0.704743201 0.762550558 0.766781612 0.767923918 0.771159146 0.771925632 0.774517801 0.782380860 0.790229409 0.792737961 0.795705481 0.799945468 0.813720191 0.826041780 0.837374671 0.842236566 0.850999068 0.853799803 0.875464841 0.889545854 0.891530108 0.902950217 0.908059197 0.923014512 0.928453905 0.929391108 0.935731973 1.061259340 1.146695407 1.313148485 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:-3.2477,-2.1777,1.3629;-4.0637,-2.0167,.6359;-3.0514,-3.2635,1.4099;-2.3419,-1.6889,.9654;-3.6173,-1.6284,2.7378;-3.7775,-.5355,2.6714;-2.7664,-1.7708,3.4302;-4.8658,-2.2868,3.3257;-4.697,-3.3731,3.4347;-5.7129,-2.1653,2.6264;-5.2756,-1.717,4.6922;-6.1973,-2.2217,5.0332;-5.4826,-.6369,4.6053;-4.2055,-1.9538,5.7214;-2.1226,-1.1188,6.8992;-1.57,-1.7748,6.2004;-2.1323,-1.6703,7.858;-1.3675,.2002,7.0569;-1.9368,.8784,7.7207;-1.3133,.7104,6.0761;.0422,.0213,7.6148;.6131,-.6584,6.9532;-.018,-.4884,8.5958;.8075,1.3348,7.7727;.234,2.0114,8.4342;.8632,1.8427,6.7915;2.2158,1.1488,8.3313;2.8233,.504,7.6713;2.7403,2.1143,8.4335;2.1888,.6731,9.3279;-3.9954,-3.1815,6.0691;-3.9969,-3.1519,7.1947;-3.5342,-.9243,6.3809;-3.7999,.0899,6.0616;-4.572,2.1345,9.7438;-5.0838,1.8617,10.6837;-4.9388,3.1284,9.4361;-3.4938,2.2277,9.966;-4.8169,1.0919,8.6561;-5.8982,1.0397,8.4289;-4.3219,1.4181,7.7255;-4.3162,-.2928,9.0532;-4.7845,-.587,10.0135;-3.2297,-.2932,9.2474;-4.657,-1.4271,8.1107;-4.2124,-2.5881,8.3752;-5.671,-1.339,7.659; -739.265385672513 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000098057202 0.000022827201 0.026161836749 0.008425984221 0.000300000000 0.000200000000 0.004589158068 0.003059438712 -0.095360457 0.000035847 0.000085942 0.000146362 0.000252086 0.000354659 0.000536023 0.000598318 0.000919751 0.001309475 0.001504535 0.001924650 0.002780359 0.002902688 0.003130902 0.003288073 0.004287407 0.005496240 0.006523869 0.006960613 0.007803545 0.009376728 0.013468417 0.014083194 0.016157243 0.019885552 0.020574912 0.024001716 0.026658199 0.027542498 0.028810425 0.029832322 0.030294804 0.037175213 0.038728539 0.039515910 0.040348896 0.041432643 0.043230624 0.046737821 0.049392403 0.050954392 0.051554869 0.051664181 0.052444666 0.055677189 0.059825118 0.062112503 0.065517109 0.066309639 0.067284558 0.069968424 0.073090415 0.075228227 0.077401962 0.077630747 0.079397473 0.080406909 0.080601264 0.087611645 0.092253564 0.093015226 0.098841099 0.104301329 0.107521198 0.111744944 0.112740220 0.115229560 0.115721285 0.118132502 0.119796310 0.130671888 0.131683772 0.135622370 0.141552345 0.146324502 0.151834111 0.152597349 0.154582405 0.162303480 0.164362884 0.171527677 0.183514850 0.187936479 0.195525205 0.202855441 0.205577818 0.218424999 0.224315533 0.236915129 0.262078907 0.275097286 0.289931285 0.304124898 0.342185849 0.377189019 0.399906728 0.424929375 0.494346553 0.544820113 0.554590655 0.574573357 0.592217336 0.609549358 0.634099599 0.704743097 0.762550575 0.766781571 0.767923869 0.771158853 0.771925605 0.774517775 0.782380832 0.790229418 0.792737899 0.795705158 0.799945464 0.813720071 0.826041762 0.837374628 0.842236556 0.850999059 0.853799770 0.875464754 0.889545829 0.891530088 0.902950002 0.908058794 0.923014266 0.928453778 0.929390692 0.935731885 1.061259237 1.146695313 1.313148472 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:-3.2629,-2.1936,1.3531;-4.0817,-2.0338,.629;-3.0693,-3.2797,1.4044;-2.3575,-1.7091,.9493;-3.625,-1.6369,2.727;-3.7824,-.5438,2.6563;-2.7717,-1.7787,3.4165;-4.873,-2.2888,3.3231;-4.7072,-3.3752,3.4359;-5.7229,-2.1675,2.6272;-5.2746,-1.7122,4.6891;-6.1969,-2.2121,5.0359;-5.4779,-.6317,4.5993;-4.2015,-1.9496,5.7153;-2.1188,-1.115,6.894;-1.5644,-1.7668,6.1926;-2.1285,-1.6711,7.8503;-1.3662,.2046,7.0587;-1.9388,.8798,7.7227;-1.3092,.7181,6.0798;.0416,.026,7.6214;.6162,-.6504,6.9597;-.0217,-.4873,8.6003;.8039,1.3402,7.7871;.2262,2.0137,8.4481;.8635,1.8514,6.8079;2.2098,1.1548,8.3519;2.8216,.5131,7.6929;2.7322,2.1209,8.4597;2.1788,.6759,9.3469;-3.9899,-3.1776,6.0608;-3.9924,-3.1498,7.1868;-3.5304,-.9205,6.3755;-3.7971,.094,6.0583;-4.5573,2.1326,9.744;-5.062,1.8595,10.6876;-4.9256,3.1269,9.4398;-3.4773,2.2246,9.9577;-4.8116,1.0909,8.6572;-5.8945,1.0406,8.4374;-4.3224,1.4169,7.7234;-4.3103,-.2947,9.0503;-4.7767,-.5909,10.0109;-3.2235,-.2956,9.2424;-4.6528,-1.4268,8.1058;-4.2084,-2.5886,8.3674;-5.6668,-1.3373,7.6546; -739.265389980485 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000138456819 0.000027911614 0.025594993699 0.008407217241 0.000300000000 0.000200000000 0.003250110791 0.002166740527 -0.095361425 0.000027511 0.000091794 0.000146967 0.000251923 0.000354909 0.000538228 0.000598473 0.000919705 0.001309351 0.001504541 0.001924641 0.002780375 0.002902697 0.003130886 0.003288083 0.004287370 0.005496206 0.006524022 0.006960688 0.007803490 0.009376623 0.013468414 0.014083204 0.016157082 0.019885540 0.020574864 0.024001735 0.026658205 0.027542492 0.028810422 0.029832312 0.030294796 0.037175212 0.038728532 0.039515922 0.040348886 0.041432609 0.043230634 0.046738164 0.049392273 0.050954375 0.051554696 0.051663838 0.052444484 0.055677316 0.059825159 0.062112139 0.065517084 0.066309591 0.067284532 0.069968400 0.073090409 0.075228189 0.077401883 0.077630545 0.079397460 0.080406847 0.080601271 0.087611570 0.092253592 0.093015231 0.098841101 0.104301339 0.107521190 0.111744928 0.112740125 0.115229536 0.115721289 0.118132523 0.119796282 0.130671872 0.131683851 0.135622397 0.141552289 0.146324524 0.151834128 0.152597213 0.154582365 0.162303566 0.164362597 0.171527511 0.183514825 0.187936499 0.195525240 0.202855402 0.205577966 0.218425039 0.224315570 0.236913980 0.262078922 0.275097370 0.289930959 0.304124759 0.342185867 0.377188937 0.399907024 0.424929384 0.494346507 0.544820122 0.554590648 0.574573396 0.592217340 0.609549374 0.634099698 0.704743054 0.762550597 0.766781568 0.767923834 0.771158834 0.771925577 0.774517776 0.782380811 0.790229424 0.792737870 0.795705055 0.799945457 0.813720057 0.826041746 0.837374614 0.842236540 0.850999064 0.853799809 0.875464750 0.889545801 0.891530067 0.902950126 0.908058798 0.923014258 0.928453629 0.929390535 0.935731871 1.061259305 1.146695296 1.313148431 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:-3.2792,-2.2122,1.3431;-4.1006,-2.052,.622;-3.0906,-3.2989,1.3988;-2.3734,-1.734,.9328;-3.6325,-1.647,2.716;-3.7849,-.5535,2.6406;-2.7767,-1.7896,3.4023;-4.8808,-2.2901,3.3209;-4.7197,-3.3767,3.438;-5.7334,-2.1678,2.6284;-5.273,-1.7052,4.686;-6.1964,-2.1988,5.0391;-5.4714,-.6241,4.5926;-4.1971,-1.9439,5.7091;-2.1141,-1.1103,6.8886;-1.5584,-1.7577,6.1843;-2.1234,-1.6709,7.8422;-1.3637,.2097,7.0603;-1.939,.8818,7.7251;-1.3044,.727,6.0834;.0425,.0309,7.6269;.6206,-.6416,6.9642;-.0233,-.4868,8.6033;.802,1.3457,7.8012;.2203,2.0155,8.4625;.8649,1.8611,6.8243;2.2058,1.1603,8.3713;2.8214,.5223,7.7123;2.7261,2.1268,8.4853;2.1712,.6773,9.3642;-3.9845,-3.1725,6.052;-3.9873,-3.147,7.1783;-3.5259,-.9158,6.3709;-3.7934,.0993,6.0559;-4.549,2.1293,9.7467;-5.0525,1.8545,10.6903;-4.917,3.1247,9.4453;-3.4689,2.2201,9.9591;-4.8056,1.0903,8.6584;-5.8886,1.0411,8.4401;-4.3177,1.4179,7.7247;-4.3046,-.2965,9.0478;-4.7708,-.595,10.0077;-3.2178,-.2983,9.2395;-4.6475,-1.4261,8.1005;-4.2032,-2.5885,8.3595;-5.6617,-1.3355,7.65; -739.265392786562 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000210946872 0.000047023927 0.027265444110 0.008394855386 0.000300000000 0.000200000000 0.002133238549 0.001422159033 -0.095361565 0.000020728 0.000088873 0.000154144 0.000252376 0.000354933 0.000542949 0.000600712 0.000919961 0.001309619 0.001504641 0.001924967 0.002780449 0.002902733 0.003130946 0.003288105 0.004287289 0.005496354 0.006523961 0.006960692 0.007803444 0.009376657 0.013468510 0.014083183 0.016156860 0.019885616 0.020574795 0.024001663 0.026658212 0.027542450 0.028810430 0.029832312 0.030294813 0.037175235 0.038728500 0.039515977 0.040348883 0.041432596 0.043230630 0.046738204 0.049392214 0.050954350 0.051554495 0.051664092 0.052444318 0.055677347 0.059824753 0.062111765 0.065517091 0.066309964 0.067284509 0.069968426 0.073090390 0.075228170 0.077402086 0.077630601 0.079397452 0.080406757 0.080601295 0.087611538 0.092253625 0.093015254 0.098841139 0.104301317 0.107521169 0.111744890 0.112739983 0.115229866 0.115721543 0.118132569 0.119796239 0.130671997 0.131683814 0.135622432 0.141552524 0.146324530 0.151834075 0.152596994 0.154582353 0.162303620 0.164362275 0.171527245 0.183514799 0.187936909 0.195525195 0.202855686 0.205578663 0.218429277 0.224317937 0.236912440 0.262080976 0.275097386 0.289930857 0.304125525 0.342185943 0.377190148 0.399909146 0.424929455 0.494346482 0.544820212 0.554590659 0.574573419 0.592217348 0.609549663 0.634099746 0.704743045 0.762550620 0.766781567 0.767923826 0.771158900 0.771925557 0.774517815 0.782380945 0.790229424 0.792738070 0.795705067 0.799945514 0.813720104 0.826041889 0.837374566 0.842236615 0.850999123 0.853801454 0.875464753 0.889545864 0.891530052 0.902952871 0.908059580 0.923014322 0.928453523 0.929390411 0.935732284 1.061259333 1.146695292 1.313148246 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:-3.2912,-2.2301,1.3349;-4.1138,-2.0683,.6156;-3.1086,-3.3177,1.3948;-2.384,-1.7589,.9199;-3.6372,-1.657,2.7063;-3.7837,-.5631,2.6267;-2.7803,-1.8017,3.3906;-4.8872,-2.2906,3.3176;-4.7317,-3.3775,3.4387;-5.7412,-2.1663,2.6273;-5.2717,-1.698,4.6814;-6.1966,-2.1853,5.0394;-5.465,-.6163,4.5845;-4.1941,-1.9384,5.7024;-2.1114,-1.106,6.8837;-1.5542,-1.7497,6.1771;-2.1205,-1.6706,7.8349;-1.3632,.2144,7.0614;-1.9416,.8841,7.7259;-1.3012,.7343,6.0861;.0413,.0361,7.6325;.6229,-.6336,6.9699;-.0273,-.4847,8.6071;.798,1.3514,7.8136;.2126,2.0183,8.4745;.8639,1.8698,6.8386;2.1997,1.1666,8.3888;2.8191,.5315,7.7306;2.718,2.1335,8.5077;2.1619,.6807,9.3802;-3.9807,-3.1675,6.0426;-3.9844,-3.1445,7.1695;-3.5232,-.9113,6.366;-3.7911,.1043,6.0532;-4.533,2.1264,9.7494;-5.0252,1.8508,10.6994;-4.9047,3.1221,9.4535;-3.4497,2.2168,9.9486;-4.803,1.0885,8.6624;-5.8888,1.0413,8.4553;-4.3241,1.4159,7.7235;-4.3004,-.2993,9.0459;-4.7641,-.6012,10.006;-3.2131,-.3011,9.2352;-4.6446,-1.4259,8.0955;-4.2004,-2.5892,8.3511;-5.6587,-1.3337,7.6454; -739.265393810887 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000492645436 0.000095837092 0.025702838122 0.008413854318 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.095361537 -0.000059483 0.000103760 0.000199863 0.000252412 0.000354998 0.000562579 0.000634119 0.000920746 0.001309711 0.001505449 0.001924817 0.002780787 0.002902874 0.003130986 0.003288706 0.004287206 0.005496345 0.006524005 0.006960692 0.007803573 0.009376638 0.013468444 0.014083088 0.016156787 0.019885529 0.020574843 0.024001610 0.026658209 0.027542447 0.028810436 0.029832351 0.030294834 0.037175236 0.038728454 0.039516025 0.040348934 0.041432553 0.043230630 0.046738266 0.049392223 0.050954327 0.051554304 0.051664069 0.052444073 0.055677491 0.059824557 0.062111570 0.065517089 0.066312139 0.067284526 0.069968334 0.073090353 0.075228153 0.077404677 0.077631355 0.079397458 0.080406762 0.080601630 0.087612050 0.092254050 0.093015279 0.098841152 0.104301381 0.107521141 0.111744861 0.112739875 0.115230736 0.115722065 0.118132933 0.119796226 0.130671961 0.131683796 0.135622512 0.141554170 0.146324623 0.151834147 0.152596823 0.154582406 0.162303491 0.164362065 0.171526946 0.183514961 0.187939805 0.195525197 0.202859240 0.205583323 0.218441251 0.224347436 0.236910808 0.262088974 0.275097361 0.289935445 0.304130963 0.342185942 0.377201392 0.399915542 0.424929635 0.494346456 0.544820223 0.554592140 0.574573439 0.592217346 0.609551442 0.634100019 0.704742993 0.762550623 0.766781605 0.767923772 0.771159453 0.771925516 0.774517878 0.782381220 0.790229393 0.792740340 0.795704963 0.799945759 0.813720225 0.826042204 0.837374511 0.842237019 0.850999372 0.853812754 0.875464773 0.889546301 0.891530042 0.902966342 0.908059903 0.923017763 0.928453849 0.929391202 0.935732549 1.061259369 1.146695262 1.313148624 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:-3.3081,-2.249,1.3255;-4.1335,-2.0871,.6092;-3.1308,-3.3372,1.3904;-2.4004,-1.7846,.9033;-3.6445,-1.6667,2.6955;-3.7857,-.5724,2.6107;-2.785,-1.8122,3.3767;-4.8949,-2.2907,3.3164;-4.7446,-3.3778,3.4423;-5.7518,-2.1653,2.6297;-5.2691,-1.6893,4.6792;-6.1953,-2.1696,5.044;-5.4569,-.6069,4.5785;-4.1886,-1.9314,5.697;-2.1059,-1.1008,6.8802;-1.5482,-1.7421,6.1718;-2.1151,-1.6682,7.8297;-1.3583,.2194,7.0623;-1.9381,.8874,7.727;-1.2944,.7416,6.0884;.0448,.0403,7.6363;.6289,-.6264,6.9729;-.0259,-.484,8.6089;.7995,1.3559,7.8243;.2111,2.0199,8.4855;.8681,1.8777,6.8512;2.1995,1.1708,8.4037;2.8219,.5387,7.7453;2.7162,2.138,8.5277;2.1588,.6814,9.3932;-3.9742,-3.1611,6.0341;-3.9782,-3.1407,7.1614;-3.5177,-.9055,6.3627;-3.7863,.1108,6.0527;-4.537,2.1214,9.7555;-5.0403,1.8424,10.6972;-4.9032,3.1189,9.4595;-3.4573,2.2093,9.9679;-4.7954,1.0885,8.6626;-5.8781,1.0418,8.4448;-4.3081,1.4204,7.7307;-4.2961,-.3009,9.0445;-4.7634,-.6045,10.0024;-3.2095,-.3048,9.2374;-4.639,-1.425,8.0909;-4.1945,-2.5888,8.3438;-5.6531,-1.3321,7.6407; -739.265393224363 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000767116866 0.000177919942 0.030331051856 0.008415820380 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.095361565 -0.000075536 0.000103600 0.000210910 0.000252451 0.000354997 0.000567841 0.000729284 0.000923527 0.001309885 0.001507408 0.001925062 0.002781997 0.002903318 0.003131046 0.003291852 0.004287127 0.005496368 0.006524838 0.006960684 0.007804629 0.009376829 0.013468431 0.014083047 0.016157527 0.019885676 0.020575038 0.024001593 0.026658209 0.027542825 0.028810537 0.029832512 0.030294861 0.037175241 0.038728443 0.039516180 0.040349189 0.041432505 0.043230669 0.046738269 0.049392391 0.050954401 0.051554133 0.051669351 0.052443987 0.055677404 0.059824165 0.062111486 0.065517046 0.066322410 0.067284752 0.069968217 0.073090306 0.075228167 0.077413724 0.077636984 0.079397345 0.080407005 0.080604190 0.087614672 0.092255098 0.093015378 0.098841202 0.104301568 0.107521143 0.111744838 0.112739701 0.115235784 0.115725048 0.118134404 0.119796160 0.130672004 0.131683852 0.135622920 0.141559963 0.146325052 0.151834817 0.152596345 0.154582760 0.162304251 0.164362029 0.171526714 0.183515337 0.187949436 0.195525134 0.202866874 0.205601776 0.218520555 0.224426895 0.236909307 0.262131553 0.275098761 0.289939971 0.304159123 0.342185977 0.377241635 0.399942992 0.424930005 0.494346443 0.544821491 0.554595917 0.574573611 0.592217430 0.609557151 0.634100032 0.704743307 0.762551166 0.766781664 0.767923754 0.771162480 0.771925673 0.774517899 0.782382694 0.790229644 0.792748333 0.795704921 0.799947181 0.813720589 0.826044188 0.837374411 0.842238397 0.851000622 0.853853152 0.875464760 0.889548439 0.891530176 0.903021914 0.908062913 0.923027783 0.928455344 0.929392611 0.935735501 1.061259438 1.146695258 1.313148351 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:-3.3225,-2.2701,1.3167;-4.1493,-2.1053,.6029;-3.1532,-3.3593,1.3863;-2.4129,-1.815,.8887;-3.649,-1.6783,2.685;-3.7824,-.5835,2.5951;-2.788,-1.827,3.3633;-4.9014,-2.2898,3.3139;-4.7583,-3.3773,3.4448;-5.7601,-2.1615,2.6302;-5.2655,-1.6789,4.675;-6.1934,-2.151,5.046;-5.4468,-.5958,4.5699;-4.1829,-1.9231,5.6902;-2.1014,-1.0945,6.8769;-1.5421,-1.7318,6.1663;-2.1109,-1.6662,7.8239;-1.3556,.2259,7.066;-1.9376,.8907,7.7323;-1.2902,.7522,6.0943;.0466,.0456,7.6421;.6322,-.6185,6.9776;-.0257,-.482,8.6127;.8004,1.3608,7.836;.2106,2.0224,8.4981;.8709,1.8858,6.8648;2.1992,1.174,8.4176;2.823,.5441,7.7586;2.7154,2.1408,8.5457;2.1567,.6814,9.4055;-3.9674,-3.1537,6.0235;-3.9723,-3.1368,7.1514;-3.5129,-.8987,6.3589;-3.7821,.1184,6.052;-4.5327,2.1175,9.7604;-5.0265,1.835,10.7077;-4.9052,3.1144,9.4699;-3.4498,2.2081,9.9626;-4.7985,1.0861,8.6662;-5.8838,1.0383,8.4565;-4.318,1.4201,7.7303;-4.2942,-.3032,9.0423;-4.759,-.6114,10;-3.2073,-.3045,9.2333;-4.6352,-1.4247,8.085;-4.1895,-2.5888,8.3347;-5.649,-1.3317,7.6342; -739.265394583105 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000642240035 0.000122678616 0.028481303964 0.008391364231 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.095361474 -0.000035100 0.000103683 0.000211168 0.000252761 0.000355009 0.000569027 0.000790469 0.000927270 0.001310086 0.001509237 0.001925051 0.002784248 0.002904164 0.003131160 0.003294611 0.004287052 0.005496381 0.006525403 0.006960678 0.007806895 0.009376652 0.013468368 0.014083056 0.016156965 0.019885390 0.020575447 0.024001587 0.026658212 0.027542971 0.028810560 0.029832964 0.030294927 0.037175248 0.038728358 0.039516279 0.040349275 0.041432451 0.043230760 0.046738334 0.049392592 0.050954322 0.051554044 0.051667173 0.052443755 0.055677683 0.059825069 0.062110962 0.065517220 0.066327578 0.067284665 0.069968164 0.073090448 0.075228310 0.077424822 0.077639016 0.079397571 0.080408122 0.080605529 0.087617915 0.092256537 0.093015433 0.098841275 0.104301638 0.107521199 0.111744895 0.112739754 0.115237509 0.115725787 0.118136546 0.119796438 0.130672638 0.131683812 0.135623260 0.141562726 0.146325890 0.151834910 0.152596306 0.154584978 0.162305147 0.164361854 0.171526166 0.183516115 0.187959509 0.195525272 0.202875633 0.205626787 0.218538425 0.224530803 0.236906997 0.262155677 0.275100242 0.289954200 0.304176559 0.342186083 0.377280022 0.399960040 0.424931035 0.494346543 0.544821566 0.554603278 0.574574198 0.592217701 0.609560974 0.634102388 0.704743226 0.762551081 0.766781853 0.767923916 0.771164131 0.771926747 0.774518083 0.782382715 0.790229682 0.792760126 0.795705114 0.799948187 0.813720645 0.826044676 0.837374478 0.842239029 0.851001213 0.853886268 0.875465093 0.889550038 0.891531153 0.903073484 0.908067126 0.923036920 0.928455231 0.929394334 0.935735773 1.061259507 1.146695363 1.313148980 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:-3.338,-2.2908,1.3083;-4.167,-2.1253,.5969;-3.1749,-3.3805,1.3838;-2.4277,-1.8434,.8738;-3.6554,-1.6892,2.6744;-3.7826,-.5941,2.5787;-2.7925,-1.8393,3.3502;-4.9087,-2.2896,3.3119;-4.7717,-3.3772,3.448;-5.7696,-2.1596,2.6311;-5.2631,-1.6696,4.6711;-6.1925,-2.134,5.0482;-5.4384,-.5861,4.5616;-4.1784,-1.9157,5.6838;-2.0968,-1.0892,6.8721;-1.5367,-1.7229,6.159;-2.1059,-1.6648,7.8167;-1.3525,.2311,7.067;-1.9361,.8932,7.7344;-1.2857,.7608,6.0974;.0486,.0503,7.6456;.6371,-.6096,6.9792;-.0254,-.4823,8.6135;.7996,1.366,7.8482;.2064,2.0232,8.5121;.872,1.896,6.8799;2.197,1.179,8.4332;2.8242,.5538,7.7727;2.7109,2.1463,8.5681;2.1523,.6811,9.4184;-3.9621,-3.1471,6.0139;-3.9673,-3.1331,7.1421;-3.5085,-.8927,6.3548;-3.7782,.1251,6.0506;-4.5309,2.1129,9.7666;-5.0313,1.828,10.7085;-4.8996,3.1115,9.4772;-3.4503,2.2015,9.9766;-4.791,1.0856,8.6682;-5.8746,1.0386,8.4527;-4.3062,1.4231,7.7366;-4.2891,-.3053,9.0411;-4.7557,-.6158,9.9971;-3.2025,-.3086,9.2339;-4.6302,-1.4238,8.0803;-4.1844,-2.5886,8.3264;-5.644,-1.3294,7.6299; -739.265394430537 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000333700954 0.000083677942 0.029889084162 0.008476387962 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.095361278 -0.000006457 0.000104833 0.000211503 0.000254014 0.000355115 0.000570443 0.000816421 0.000930235 0.001310031 0.001509650 0.001925391 0.002786279 0.002905045 0.003131246 0.003295007 0.004286982 0.005496388 0.006526578 0.006960673 0.007809226 0.009376555 0.013468358 0.014082955 0.016156454 0.019885222 0.020575284 0.024001608 0.026658251 0.027543321 0.028810605 0.029833139 0.030295010 0.037175256 0.038728284 0.039516334 0.040349260 0.041432382 0.043230800 0.046738251 0.049392533 0.050954262 0.051554051 0.051665917 0.052443735 0.055677616 0.059824436 0.062110416 0.065517482 0.066329688 0.067284684 0.069967973 0.073090597 0.075228357 0.077429537 0.077640444 0.079397417 0.080408994 0.080606775 0.087619780 0.092257300 0.093015449 0.098841540 0.104301583 0.107521226 0.111744869 0.112739477 0.115238438 0.115726195 0.118138217 0.119796345 0.130672884 0.131683925 0.135623763 0.141563291 0.146326172 0.151834899 0.152595645 0.154586352 0.162304729 0.164361439 0.171525679 0.183516115 0.187964717 0.195525183 0.202876354 0.205638916 0.218561082 0.224555481 0.236906943 0.262173006 0.275100033 0.289953935 0.304191044 0.342186162 0.377301181 0.399966097 0.424931536 0.494346598 0.544822050 0.554608124 0.574574250 0.592218703 0.609562774 0.634102390 0.704743041 0.762551107 0.766781853 0.767924381 0.771165540 0.771926981 0.774518089 0.782383159 0.790229755 0.792769495 0.795706971 0.799949819 0.813720714 0.826044741 0.837375847 0.842240142 0.851002159 0.853901770 0.875465219 0.889550991 0.891531944 0.903095108 0.908067461 0.923038873 0.928455005 0.929393498 0.935739235 1.061260179 1.146696315 1.313148694 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:-3.3222,-2.2693,1.3174;-4.1491,-2.1052,.6035;-3.1521,-3.3583,1.3873;-2.413,-1.8135,.8895;-3.6492,-1.6778,2.6855;-3.7834,-.5831,2.5955;-2.7883,-1.8259,3.3641;-4.9013,-2.2899,3.3141;-4.7576,-3.3773,3.445;-5.7599,-2.162,2.6302;-5.2659,-1.6795,4.6751;-6.1937,-2.152,5.0457;-5.4475,-.5966,4.57;-4.1835,-1.9236,5.6905;-2.1016,-1.095,6.8765;-1.5426,-1.7324,6.1658;-2.1108,-1.6665,7.8235;-1.3557,.2253,7.0651;-1.9374,.8902,7.7314;-1.2905,.7514,6.0934;.0465,.0452,7.641;.6325,-.6184,6.9762;-.0256,-.483,8.6114;.7998,1.3607,7.8358;.2095,2.0216,8.4984;.87,1.8863,6.8649;2.1987,1.1743,8.4174;2.823,.5453,7.7579;2.7143,2.1414,8.5464;2.1563,.6809,9.4049;-3.9682,-3.1541,6.0241;-3.9728,-3.137,7.1519;-3.5132,-.8991,6.3589;-3.7824,.1179,6.0517;-4.5336,2.1175,9.7606;-5.0323,1.8355,10.7047;-4.9031,3.1151,9.4687;-3.4523,2.2069,9.9683;-4.7955,1.0867,8.6657;-5.8795,1.0394,8.4519;-4.3117,1.421,7.7322;-4.2933,-.3031,9.0427;-4.7592,-.6104,10;-3.2065,-.3057,9.2347;-4.635,-1.4245,8.0856;-4.1896,-2.5887,8.3352;-5.6489,-1.3311,7.6351; -739.265395623132 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000105479068 0.000025064479 0.010234950663 0.003104389700 0.000300000000 0.000200000000 0.004266249319 0.002844166213 -0.095360446 0.000024653 0.000090875 0.000190570 0.000243357 0.000352281 0.000559086 0.000593175 0.000938956 0.001309302 0.001509684 0.001929181 0.002791292 0.002905748 0.003130455 0.003285219 0.004286898 0.005496335 0.006537718 0.006960900 0.007828269 0.009376094 0.013469376 0.014081997 0.016157431 0.019885585 0.020576000 0.024001809 0.026658518 0.027544711 0.028811036 0.029835763 0.030296167 0.037175372 0.038728370 0.039517201 0.040349479 0.041432666 0.043231236 0.046738721 0.049393616 0.050954868 0.051556547 0.051674985 0.052444743 0.055686453 0.059823583 0.062113209 0.065518641 0.066343389 0.067290221 0.069968190 0.073092645 0.075228873 0.077471532 0.077652101 0.079399166 0.080417699 0.080614119 0.087634518 0.092263599 0.093015851 0.098843219 0.104301710 0.107521853 0.111744726 0.112741764 0.115242339 0.115727559 0.118148457 0.119798841 0.130676456 0.131684036 0.135626542 0.141568543 0.146328467 0.151835409 0.152595965 0.154598595 0.162311300 0.164361792 0.171527036 0.183518757 0.188005769 0.195525546 0.202891678 0.205724809 0.218638881 0.224844015 0.236930221 0.262263705 0.275108373 0.289975753 0.304259837 0.342186735 0.377446179 0.400004380 0.424936754 0.494346743 0.544822909 0.554641224 0.574576785 0.592223438 0.609570530 0.634103213 0.704743593 0.762551636 0.766781993 0.767927783 0.771175144 0.771928024 0.774518078 0.782385549 0.790230448 0.792827651 0.795716293 0.799958263 0.813722231 0.826044764 0.837383087 0.842245952 0.851005957 0.853987468 0.875467271 0.889555397 0.891535468 0.903205411 0.908075180 0.923053096 0.928455299 0.929394367 0.935753201 1.061261088 1.146701901 1.313149222 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:-3.3156,-2.2636,1.3209;-4.1415,-2.1,.6057;-3.1439,-3.3525,1.3898;-2.4064,-1.8058,.8952;-3.6461,-1.6742,2.6892;-3.7819,-.5796,2.6003;-2.7862,-1.8217,3.3691;-4.8984,-2.2892,3.3148;-4.7534,-3.3766,3.4444;-5.756,-2.1617,2.6296;-5.2664,-1.6812,4.6761;-6.1941,-2.1555,5.0445;-5.4493,-.5983,4.5722;-4.1852,-1.9252,5.6927;-2.1034,-1.0965,6.8788;-1.5448,-1.7353,6.169;-2.1129,-1.6667,7.8267;-1.3568,.2236,7.0653;-1.9373,.8892,7.7321;-1.293,.749,6.0931;.0464,.0434,7.6389;.6307,-.6211,6.9736;-.0242,-.4838,8.6099;.8006,1.3587,7.8308;.2121,2.0205,8.4942;.8688,1.8835,6.8593;2.2007,1.1722,8.4092;2.8231,.5424,7.7488;2.717,2.1392,8.5362;2.1605,.6797,9.3972;-3.9704,-3.1556,6.027;-3.975,-3.1379,7.1546;-3.515,-.9006,6.361;-3.7837,.1164,6.0532;-4.5371,2.1184,9.7601;-5.0361,1.8367,10.7042;-4.9069,3.1157,9.4674;-3.4558,2.2083,9.9682;-4.798,1.0869,8.6656;-5.8819,1.0393,8.451;-4.3135,1.4208,7.7321;-4.2958,-.3025,9.0438;-4.7621,-.6092,10.0012;-3.2091,-.3049,9.236;-4.6372,-1.4247,8.0874;-4.192,-2.5888,8.3379;-5.651,-1.3317,7.6366; -739.265395710325 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000094785900 0.000019566043 0.018654051402 0.004588659045 0.000300000000 0.000200000000 0.004747541572 0.003165027715 -0.095360751 0.000001284 0.000098450 0.000190038 0.000243994 0.000353167 0.000555636 0.000596265 0.000934132 0.001309077 0.001508944 0.001927883 0.002792078 0.002906464 0.003130183 0.003286957 0.004286858 0.005496332 0.006536986 0.006960910 0.007827660 0.009376698 0.013469262 0.014082153 0.016157237 0.019885679 0.020575493 0.024001495 0.026658517 0.027544868 0.028811053 0.029835612 0.030296136 0.037175368 0.038728385 0.039517132 0.040349452 0.041432744 0.043231193 0.046738624 0.049393341 0.050954934 0.051555236 0.051676773 0.052444501 0.055685976 0.059821193 0.062113153 0.065518577 0.066344664 0.067289942 0.069968059 0.073092464 0.075228727 0.077470117 0.077653483 0.079399192 0.080417100 0.080614953 0.087635026 0.092262863 0.093015848 0.098843204 0.104301641 0.107521820 0.111744537 0.112741581 0.115243093 0.115728020 0.118148279 0.119798708 0.130675760 0.131683837 0.135626643 0.141568557 0.146328459 0.151835439 0.152594813 0.154598362 0.162310004 0.164361956 0.171526782 0.183518549 0.188005231 0.195525429 0.202890496 0.205723740 0.218648340 0.224833321 0.236931202 0.262265418 0.275107502 0.289971227 0.304261453 0.342186351 0.377445382 0.400004841 0.424936552 0.494346249 0.544822900 0.554640653 0.574576662 0.592223436 0.609570556 0.634102447 0.704743391 0.762551752 0.766781954 0.767925146 0.771174496 0.771927579 0.774517825 0.782385588 0.790230437 0.792826741 0.795714236 0.799958083 0.813720431 0.826044734 0.837381778 0.842245789 0.851005963 0.853987312 0.875466845 0.889555346 0.891535306 0.903206028 0.908074704 0.923052844 0.928455436 0.929391390 0.935752547 1.061259200 1.146701901 1.313148638 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:-3.3093,-2.2504,1.3252;-4.1346,-2.0874,.6092;-3.1331,-3.3387,1.39;-2.4013,-1.7872,.903;-3.6445,-1.668,2.6951;-3.7847,-.5738,2.6103;-2.785,-1.8146,3.3759;-4.8951,-2.2906,3.3161;-4.7456,-3.3776,3.4423;-5.752,-2.1645,2.6296;-5.2686,-1.6887,4.6786;-6.1947,-2.1684,5.0437;-5.4561,-.6065,4.5775;-4.188,-1.9308,5.6963;-2.1055,-1.1,6.8796;-1.5474,-1.7405,6.1708;-2.1147,-1.6682,7.8286;-1.3584,.2203,7.063;-1.9386,.8875,7.7283;-1.2945,.7434,6.0896;.0448,.0408,7.637;.6288,-.6255,6.9733;-.026,-.484,8.6093;.7998,1.3561,7.8259;.2116,2.0198,8.4875;.8685,1.8785,6.8531;2.1998,1.1702,8.4051;2.8221,.5385,7.7463;2.7168,2.1372,8.5299;2.1591,.6801,9.3943;-3.9733,-3.1605,6.0331;-3.9772,-3.1404,7.1605;-3.5172,-.9048,6.3621;-3.7859,.1115,6.0521;-4.5356,2.1219,9.7549;-5.033,1.8425,10.7005;-4.9058,3.1184,9.4605;-3.454,2.212,9.9609;-4.7987,1.0878,8.6632;-5.8831,1.0398,8.4507;-4.3158,1.4193,7.7281;-4.2962,-.3008,9.0438;-4.7613,-.6054,10.0024;-3.2092,-.3028,9.2348;-4.6387,-1.425,8.0902;-4.1935,-2.5886,8.3429;-5.6527,-1.3326,7.64; -739.265395492178 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000128717564 0.000029215685 0.024448023018 0.006388307776 0.000300000000 0.000200000000 0.003496026388 0.002330684258 -0.095363089 0.000010412 0.000116960 0.000188483 0.000251190 0.000364324 0.000422749 0.000625915 0.000918807 0.001309755 0.001507096 0.001914853 0.002791719 0.002908631 0.003130295 0.003314331 0.004286686 0.005496583 0.006524583 0.006960768 0.007825949 0.009375080 0.013469676 0.014081521 0.016158603 0.019884966 0.020575977 0.024001192 0.026658511 0.027544008 0.028810627 0.029835662 0.030295999 0.037175191 0.038728500 0.039516115 0.040349050 0.041433753 0.043231234 0.046738799 0.049393672 0.050955889 0.051556625 0.051690864 0.052446475 0.055688527 0.059814207 0.062109845 0.065518147 0.066345799 0.067292153 0.069966424 0.073092451 0.075228609 0.077470446 0.077651625 0.079398819 0.080417767 0.080613701 0.087635288 0.092263487 0.093015676 0.098843374 0.104301604 0.107521903 0.111743090 0.112741931 0.115245228 0.115729304 0.118148801 0.119798846 0.130675753 0.131681612 0.135624760 0.141566599 0.146328848 0.151835946 0.152593994 0.154598600 0.162308727 0.164361935 0.171527102 0.183518563 0.187998902 0.195525548 0.202892479 0.205723213 0.218633048 0.224818799 0.236929418 0.262237094 0.275112343 0.289972596 0.304254399 0.342187822 0.377421389 0.400000356 0.424932692 0.494344628 0.544821847 0.554639594 0.574577969 0.592220777 0.609570799 0.634100540 0.704746047 0.762553194 0.766782110 0.767906052 0.771170188 0.771925889 0.774516643 0.782386432 0.790231233 0.792816591 0.795681115 0.799953756 0.813717227 0.826044885 0.837359352 0.842240668 0.851005127 0.853977906 0.875466482 0.889555026 0.891535449 0.903210398 0.908080386 0.923052582 0.928454898 0.929391737 0.935738349 1.061259882 1.146699430 1.313148193 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:-3.3202,-2.2678,1.3186;-4.1468,-2.1038,.6042;-3.1497,-3.3567,1.3883;-2.411,-1.8116,.8913;-3.6482,-1.6768,2.6866;-3.7826,-.5821,2.5969;-2.7875,-1.8248,3.3656;-4.9003,-2.2895,3.3144;-4.7564,-3.3768,3.4449;-5.7587,-2.1616,2.6301;-5.2658,-1.6797,4.6754;-6.1936,-2.1525,5.0454;-5.4477,-.5968,4.5706;-4.1839,-1.9238,5.6912;-2.102,-1.0953,6.8775;-1.5431,-1.7331,6.167;-2.1114,-1.6665,7.8247;-1.3559,.2249,7.0655;-1.9371,.8899,7.7322;-1.2913,.7509,6.0937;.0468,.0447,7.6404;.632,-.6193,6.9754;-.0247,-.4831,8.6111;.8006,1.3599,7.8339;.2112,2.0213,8.4968;.8701,1.8851,6.8628;2.2,1.1733,8.4142;2.8235,.5438,7.7544;2.7161,2.1403,8.5423;2.1585,.6805,9.402;-3.9687,-3.1543,6.0249;-3.9733,-3.1371,7.1527;-3.5136,-.8993,6.3597;-3.7826,.1177,6.0524;-4.5359,2.1176,9.7608;-5.0348,1.8353,10.7048;-4.906,3.1149,9.4687;-3.4547,2.2076,9.9688;-4.7969,1.0867,8.6657;-5.8809,1.039,8.4513;-4.3128,1.4212,7.7323;-4.2944,-.3028,9.043;-4.7605,-.6102,10.0003;-3.2077,-.3051,9.2352;-4.6357,-1.4246,8.0861;-4.1902,-2.5886,8.336;-5.6495,-1.3314,7.6354; -739.265395711967 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 -924.33240966 13.16412455 26.75342029 33.45704626 60.24940626 64.11122454 71.56170330 84.59816652 87.68874857 107.97151072 118.17249172 133.69055683 162.22585914 187.33901013 197.65270036 204.29420847 231.38316210 246.87514920 255.99035936 259.38723564 263.28298987 271.18588732 315.39207246 344.23942229 364.27903310 439.06340007 457.69300584 465.99737592 497.73086919 530.59950908 565.19675095 612.27319276 670.05915528 744.77012530 748.64934777 759.69092489 768.96064834 823.05243166 856.08573285 859.68310129 873.06323825 886.01752430 919.51559812 920.26373343 936.01194633 960.36569209 967.72450416 992.37742436 1029.08004624 1030.24949538 1052.18901202 1058.87052513 1075.23763714 1087.48981378 1090.75111065 1101.66957881 1102.31864777 1126.48956953 1140.76580963 1141.34606659 1152.83661002 1157.79036141 1169.12299790 1206.44895174 1227.62128674 1241.14571117 1252.37175770 1272.91533562 1275.64639803 1284.34732413 1301.68849844 1307.31690919 1333.74346270 1336.46469773 1340.25373220 1341.56154801 1343.77126014 1348.32070598 1381.78935717 1384.80092512 1407.52665056 1412.90161529 1416.71585538 1428.26076973 1432.32000790 1433.77300273 1444.76203087 1464.09720769 1472.50687605 1484.12010866 1485.30122524 1488.74925415 1489.69954500 1490.76215497 1494.06603001 1494.21243798 1494.24075040 1496.36752998 1500.26030276 1501.72359596 1503.77645110 1505.65601315 1541.28147798 1636.49944025 1683.95677899 1859.90646951 2968.14102036 3017.71710540 3022.46885069 3027.33832935 3027.56043608 3027.75317889 3028.52025930 3029.53592445 3029.64792154 3031.61809296 3042.52199013 3043.38052676 3049.21668273 3057.73155036 3066.17843680 3073.35074259 3077.92133986 3089.72900056 3096.19361557 3101.18881690 3107.61163788 3114.62123102 3118.87067257 3121.26969576 3123.24511720 3124.97597534 3127.86002343 3129.91512905 3178.70302476 1.86524558 3.71868656 3.34239079 3.40093490 3.18266974 1.77370718 1.91766108 2.06649873 2.48513481 2.32132320 3.43787434 2.70965332 1.97016446 3.78599987 2.84412124 3.00808830 2.47555417 2.29568812 1.39784330 1.14118945 1.62772042 1.52662302 3.22277206 3.07110155 2.83224961 3.07816754 2.69856008 3.23772141 3.76992929 3.25178902 3.28307227 3.44909248 2.99617574 1.07589702 1.16096832 1.19181192 1.13025928 1.99325870 1.81668489 1.34919383 1.29438401 1.68698293 1.29473695 1.79755835 1.61651986 1.85639942 1.55756980 1.27010569 1.57167755 2.93420181 2.34855719 2.13848518 2.48044750 2.09398841 1.85577719 1.86387273 1.96027789 1.67843500 1.76752136 1.71152257 1.88696617 2.54226898 1.65461311 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