GRRM 23 January 23, 2023 Saddle wB97XD def2svpp 0 1 1 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,33,14,31;35,39,42,45,46/CRV:10.3,11.3;4.3,5.1/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOHC3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s45;s45;/rC:-5.1897,-1.0928,1.6794;-5.7832,-1.2102,.7568;-4.2779,-.5239,1.4219;-5.7851,-.4756,2.3747;-4.8371,-2.4524,2.2801;-4.3463,-3.0723,1.5087;-5.7652,-2.9867,2.5569;-3.9138,-2.3884,3.4989;-2.9601,-1.9038,3.2163;-3.6639,-3.4136,3.822;-4.5198,-1.6407,4.6968;-5.4893,-2.1041,4.958;-4.697,-.5826,4.4445;-3.6204,-1.7255,5.8959;-1.706,-.7403,7.2304;-1.1039,-1.5275,6.7426;-1.8743,-1.1054,8.2611;-.9261,.5739,7.2499;-1.5948,1.3856,7.5925;-.6409,.8357,6.2128;.3254,.5822,8.1318;.0269,.4466,9.1894;.7638,1.594,8.0689;1.4033,-.4551,7.7721;2.3958,-.037,8.0176;1.408,-.6114,6.6763;1.2674,-1.8003,8.487;.3115,-2.3013,8.2636;2.0805,-2.4868,8.1938;1.3215,-1.6668,9.5822;-3.5052,-2.8841,6.4622;-3.6426,-2.6737,7.5451;-3.0212,-.6118,6.4852;-3.2078,.3437,5.983;-4.5104,2.9908,9.0546;-5.1814,2.8642,9.9226;-4.8118,3.9118,8.5272;-3.4879,3.145,9.443;-4.5671,1.7775,8.129;-5.5929,1.6638,7.7312;-3.9178,1.9623,7.2558;-4.1499,.4876,8.8301;-4.757,.3634,9.7483;-3.103,.5346,9.1766;-4.3774,-.8015,8.0631;-4.0157,-1.9001,8.5903;-5.3177,-.7879,7.4651; -739.260361060186 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001501390315 0.000388911207 0.032319089811 0.008422629790 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098444872 0.000046592 0.000093538 0.000130741 0.000170006 0.000249491 0.000322106 0.000448367 0.001017084 0.001103240 0.001435984 0.002306921 0.002587899 0.002798147 0.003091070 0.004204993 0.004803165 0.005832295 0.006514157 0.007995761 0.009075229 0.010761959 0.011460905 0.013607529 0.016013454 0.017524668 0.019567328 0.021866798 0.025616313 0.029382704 0.031147169 0.032939160 0.034844070 0.036661555 0.039090686 0.040706684 0.041664640 0.046388630 0.047659122 0.048905058 0.049433876 0.050751426 0.052591478 0.053326771 0.054215488 0.055637105 0.056948361 0.060347039 0.065070838 0.066028890 0.067842729 0.069475664 0.071463412 0.074542919 0.076155925 0.077244106 0.077567364 0.080482627 0.082116371 0.086839443 0.092354056 0.096007986 0.098055530 0.100067059 0.104455880 0.108555724 0.112010178 0.113372561 0.115079358 0.116634912 0.121903315 0.129870003 0.133712086 0.135963176 0.139991991 0.142894663 0.148049269 0.152509331 0.154403783 0.162113859 0.168743225 0.176541668 0.178520824 0.187890116 0.197227963 0.199380794 0.204743654 0.216276255 0.222051707 0.229290448 0.254740885 0.280230068 0.300286223 0.315810208 0.353279893 0.373531588 0.393965245 0.419956708 0.470815943 0.522133185 0.553646947 0.585466945 0.608479051 0.613558606 0.628814717 0.702125689 0.745308620 0.748853772 0.767054022 0.771010554 0.777544051 0.780132946 0.784346595 0.792156363 0.794558463 0.797308960 0.809007521 0.825803363 0.826593061 0.828436878 0.833022213 0.851602825 0.854403533 0.875705522 0.879721687 0.902068217 0.904209341 0.908341211 0.919740575 0.921655776 0.930974517 0.933598592 1.063703449 1.137223269 1.303991472 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:-5.1944,-1.0971,1.6766;-5.7877,-1.2148,.7539;-4.2819,-.5296,1.4188;-5.7892,-.4784,2.3711;-4.8434,-2.4563,2.2792;-4.3532,-3.0777,1.5086;-5.772,-2.9893,2.5567;-3.9196,-2.3912,3.4976;-2.9664,-1.906,3.2139;-3.6685,-3.4159,3.8212;-4.5235,-1.6438,4.6964;-5.4894,-2.1114,4.9634;-4.7072,-.5869,4.4428;-3.6164,-1.7253,5.8915;-1.6973,-.7338,7.2185;-1.0877,-1.5171,6.7334;-1.8733,-1.1038,8.2462;-.919,.5819,7.2531;-1.5902,1.3906,7.5983;-.6273,.853,6.2199;.3284,.5842,8.1417;.0248,.441,9.197;.7674,1.5964,8.0887;1.4079,-.451,7.7801;2.4001,-.0333,8.0277;1.4141,-.6042,6.6838;1.2716,-1.7983,8.4909;.3149,-2.2975,8.2666;2.0838,-2.4849,8.1951;1.3266,-1.6681,9.5864;-3.5057,-2.8787,6.4656;-3.6684,-2.6571,7.5585;-3.0066,-.608,6.464;-3.1861,.3437,5.9507;-4.4999,2.9874,9.0572;-5.1653,2.8676,9.9305;-4.7976,3.91,8.5306;-3.473,3.133,9.4374;-4.5743,1.7739,8.1339;-5.6049,1.6661,7.7465;-3.9316,1.9491,7.254;-4.1596,.4826,8.8316;-4.7641,.3567,9.7518;-3.1113,.5224,9.1749;-4.3899,-.7979,8.0579;-4.0279,-1.8981,8.5813;-5.3231,-.7849,7.45; -739.260487929889 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000947390756 0.000177689274 0.031166674229 0.008421444110 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098394138 0.000034689 0.000085598 0.000131997 0.000168579 0.000251725 0.000324636 0.000442585 0.001017986 0.001104288 0.001437217 0.002308480 0.002589779 0.002815438 0.003090552 0.004216628 0.004810551 0.005823453 0.006507174 0.008075685 0.009107765 0.010971718 0.011460020 0.013606927 0.016016303 0.017532446 0.019566873 0.021827206 0.025623585 0.029391716 0.031148186 0.032938028 0.034853049 0.036659918 0.039093427 0.040707703 0.041666842 0.046385317 0.047653333 0.048902511 0.049432090 0.050748664 0.052593247 0.053326400 0.054214688 0.055637087 0.056948221 0.060346959 0.065074000 0.066028908 0.067842623 0.069475537 0.071463142 0.074544490 0.076156567 0.077244227 0.077567751 0.080482359 0.082116449 0.086840480 0.092353203 0.096007334 0.098056138 0.100067315 0.104454446 0.108557629 0.112009977 0.113372496 0.115079836 0.116635487 0.121903296 0.129869981 0.133712046 0.135962720 0.139990934 0.142893962 0.148049303 0.152507606 0.154404008 0.162113450 0.168743322 0.176541714 0.178520079 0.187890166 0.197225839 0.199380419 0.204742438 0.216275029 0.222049763 0.229291096 0.254736231 0.280233065 0.300287877 0.315810471 0.353276705 0.373536557 0.393959236 0.419954702 0.470815721 0.522132706 0.553646502 0.585467422 0.608479252 0.613558583 0.628815202 0.702126960 0.745308791 0.748854533 0.767054692 0.771011029 0.777544147 0.780133076 0.784346932 0.792156627 0.794558572 0.797309266 0.809007581 0.825803373 0.826593315 0.828437707 0.833022266 0.851602787 0.854403536 0.875705611 0.879721715 0.902069138 0.904209337 0.908341768 0.919740957 0.921655832 0.930974517 0.933599275 1.063735632 1.137233743 1.304009481 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:-5.2046,-1.1042,1.672;-5.8021,-1.2237,.7522;-4.2916,-.54,1.4083;-5.7948,-.4814,2.3668;-4.8546,-2.4621,2.2781;-4.37,-3.0879,1.5074;-5.7835,-2.9914,2.5619;-3.925,-2.3952,3.4918;-2.9715,-1.9145,3.2017;-3.676,-3.4194,3.8184;-4.5206,-1.641,4.6905;-5.4878,-2.1032,4.9623;-4.7005,-.5842,4.4345;-3.6107,-1.7238,5.8837;-1.6941,-.7325,7.2143;-1.08,-1.5109,6.7268;-1.8733,-1.1096,8.2389;-.92,.5854,7.26;-1.5955,1.3905,7.6051;-.6229,.8625,6.23;.322,.5869,8.1562;.0126,.4357,9.2087;.7574,1.6012,8.1124;1.408,-.4416,7.7944;2.397,-.0214,8.0504;1.4211,-.588,6.6972;1.273,-1.7939,8.4961;.319,-2.2949,8.2642;2.0889,-2.4758,8.1996;1.3227,-1.6705,9.5927;-3.4987,-2.8777,6.4554;-3.6659,-2.6582,7.5505;-3.0011,-.6071,6.4562;-3.1795,.3444,5.9422;-4.4801,2.9862,9.0582;-5.1341,2.8707,9.9408;-4.7785,3.911,8.5362;-3.4468,3.1245,9.4243;-4.5754,1.7734,8.1355;-5.6115,1.6736,7.7607;-3.942,1.9437,7.2478;-4.162,.4792,8.8286;-4.7669,.3503,9.7481;-3.114,.5172,9.1726;-4.3916,-.7987,8.0505;-4.0301,-1.9004,8.572;-5.3221,-.784,7.4391; -739.260503503801 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000811150972 0.000125828096 0.028217703044 0.008415853453 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098412400 0.000023733 0.000084490 0.000140011 0.000167032 0.000254277 0.000352773 0.000448823 0.001017378 0.001104163 0.001437931 0.002317044 0.002591316 0.002821703 0.003090831 0.004216357 0.004810560 0.005828615 0.006508511 0.008075230 0.009105010 0.010972608 0.011460275 0.013606819 0.016016735 0.017532909 0.019567053 0.021825714 0.025627759 0.029393524 0.031148392 0.032938411 0.034857533 0.036660846 0.039094388 0.040713883 0.041667798 0.046385189 0.047652928 0.048902404 0.049432005 0.050754881 0.052593393 0.053326541 0.054214670 0.055637170 0.056948203 0.060346839 0.065076626 0.066028383 0.067843566 0.069475608 0.071463558 0.074545836 0.076157057 0.077244360 0.077567827 0.080482758 0.082116373 0.086843699 0.092357095 0.096007282 0.098056303 0.100067139 0.104456882 0.108557777 0.112009943 0.113372499 0.115079943 0.116636859 0.121906226 0.129870024 0.133712045 0.135963218 0.139991608 0.142899891 0.148050109 0.152508169 0.154403899 0.162113372 0.168743447 0.176542187 0.178520046 0.187890857 0.197226868 0.199380828 0.204747758 0.216276186 0.222054586 0.229294479 0.254744682 0.280232622 0.300287973 0.315810940 0.353297507 0.373543427 0.393987916 0.419979944 0.470815695 0.522134309 0.553646446 0.585468927 0.608480596 0.613559604 0.628818959 0.702128436 0.745309763 0.748854771 0.767054769 0.771011530 0.777544776 0.780133119 0.784347219 0.792156731 0.794559154 0.797309322 0.809007638 0.825803673 0.826593332 0.828439867 0.833022296 0.851603418 0.854406491 0.875706048 0.879722469 0.902072681 0.904209310 0.908342726 0.919742319 0.921660582 0.930974800 0.933599554 1.063799573 1.137237263 1.304016006 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:-5.2153,-1.1121,1.6665;-5.818,-1.2335,.7502;-4.3014,-.5528,1.3955;-5.7996,-.4838,2.3613;-4.8678,-2.4686,2.2771;-4.3894,-3.0999,1.507;-5.7975,-2.9928,2.5679;-3.9322,-2.3999,3.4862;-2.9775,-1.9257,3.1892;-3.6871,-3.4236,3.8173;-4.5186,-1.6361,4.6834;-5.4887,-2.09,4.9594;-4.6916,-.579,4.4236;-3.6071,-1.7211,5.8753;-1.6908,-.7317,7.2089;-1.073,-1.5051,6.7182;-1.871,-1.1155,8.2308;-.9212,.5885,7.2649;-1.6016,1.39,7.6085;-.6181,.8706,6.238;.3146,.5909,8.1697;-.0016,.4334,9.2193;.7459,1.6072,8.1338;1.4078,-.4309,7.8109;2.3928,-.0083,8.0786;1.4313,-.5697,6.7128;1.2722,-1.7885,8.5021;.323,-2.2927,8.2573;2.0944,-2.4644,8.2091;1.3104,-1.6723,9.6001;-3.4963,-2.8759,6.4461;-3.666,-2.6572,7.5417;-2.9964,-.6054,6.4489;-3.1745,.3471,5.9367;-4.4634,2.9825,9.0606;-5.1122,2.8678,9.9468;-4.7616,3.9094,8.542;-3.4277,3.1161,9.4205;-4.5687,1.7719,8.1367;-5.6067,1.6775,7.7666;-3.9389,1.9409,7.2466;-4.158,.4748,8.8259;-4.7631,.3445,9.745;-3.1098,.5097,9.1701;-4.3895,-.8002,8.0441;-4.0291,-1.9037,8.5623;-5.319,-.7829,7.4316; -739.260514004737 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000270238441 0.000065795826 0.033221414924 0.008425119165 0.000300000000 0.000200000000 0.001665196109 0.001110130739 -0.098401646 0.000049541 0.000077469 0.000137256 0.000181326 0.000261655 0.000349619 0.000446129 0.001017819 0.001104176 0.001439112 0.002318502 0.002591838 0.002822382 0.003090816 0.004216417 0.004810939 0.005828346 0.006508454 0.008075021 0.009106559 0.010979953 0.011460293 0.013607802 0.016016730 0.017534899 0.019566683 0.021830701 0.025628937 0.029394366 0.031148559 0.032938351 0.034859030 0.036660699 0.039094920 0.040714601 0.041667769 0.046386010 0.047653482 0.048903347 0.049432136 0.050754867 0.052593287 0.053326416 0.054214743 0.055637085 0.056948238 0.060346798 0.065076852 0.066028464 0.067843118 0.069475885 0.071462819 0.074545972 0.076156946 0.077244242 0.077568219 0.080483108 0.082117242 0.086843488 0.092359296 0.096007450 0.098056322 0.100067364 0.104460023 0.108558079 0.112009990 0.113372951 0.115080854 0.116636959 0.121915828 0.129871660 0.133712051 0.135963475 0.139991820 0.142904433 0.148050208 0.152508184 0.154403885 0.162113321 0.168743715 0.176542458 0.178521669 0.187890793 0.197227204 0.199382110 0.204749151 0.216287633 0.222053340 0.229293431 0.254749630 0.280233302 0.300288113 0.315816950 0.353297698 0.373543516 0.393992074 0.419980547 0.470816008 0.522135803 0.553646574 0.585469486 0.608482284 0.613559922 0.628818929 0.702128711 0.745309809 0.748854863 0.767055087 0.771011722 0.777547956 0.780133270 0.784347362 0.792156702 0.794560252 0.797310214 0.809007635 0.825803687 0.826593350 0.828439875 0.833022384 0.851603805 0.854406662 0.875706248 0.879723825 0.902076418 0.904209619 0.908344182 0.919742816 0.921660832 0.930976248 0.933599485 1.063806647 1.137237208 1.304019249 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:-5.2228,-1.1198,1.6599;-5.8298,-1.243,.7468;-4.3076,-.5659,1.3824;-5.8013,-.4854,2.3541;-4.8787,-2.4748,2.2758;-4.4065,-3.1121,1.5069;-5.8095,-2.9933,2.5731;-3.9377,-2.4043,3.4807;-2.9817,-1.937,3.1771;-3.6969,-3.4275,3.8165;-4.5153,-1.631,4.6759;-5.4881,-2.0768,4.956;-4.6817,-.5738,4.4122;-3.6026,-1.7179,5.8669;-1.6889,-.7295,7.2053;-1.0686,-1.4996,6.7124;-1.8697,-1.1179,8.2253;-.922,.592,7.2676;-1.6055,1.3919,7.6084;-.6137,.8764,6.243;.3086,.5952,8.1794;-.0134,.4345,9.2267;.7374,1.6127,8.1485;1.4066,-.4227,7.825;2.3885,.0013,8.1016;1.4385,-.5573,6.7267;1.2696,-1.7831,8.5101;.3239,-2.2891,8.256;2.0961,-2.4555,8.2213;1.2987,-1.6708,9.6087;-3.4907,-2.8738,6.4346;-3.6635,-2.658,7.5308;-2.9942,-.6029,6.4446;-3.1721,.3505,5.9339;-4.4442,2.9792,9.0649;-5.079,2.8667,9.9621;-4.7469,3.9078,8.5519;-3.4015,3.108,9.4077;-4.57,1.7697,8.1412;-5.6143,1.6807,7.7865;-3.9524,1.9357,7.2414;-4.1558,.4702,8.8237;-4.7577,.3355,9.7443;-3.1067,.5048,9.1647;-4.3878,-.8015,8.0367;-4.0293,-1.9071,8.5524;-5.3169,-.7814,7.4236; -739.260520500945 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000607682660 0.000117830839 0.026740659672 0.008422808670 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098406869 -0.000031220 0.000084337 0.000156451 0.000189429 0.000267361 0.000433153 0.000463058 0.001018287 0.001104178 0.001439370 0.002318655 0.002592436 0.002823671 0.003091181 0.004216399 0.004810788 0.005828389 0.006508519 0.008074822 0.009106805 0.010981941 0.011460291 0.013607918 0.016016726 0.017536279 0.019566460 0.021833898 0.025628847 0.029394942 0.031148643 0.032938302 0.034859806 0.036660687 0.039095235 0.040714778 0.041667773 0.046386230 0.047653893 0.048903912 0.049432369 0.050755473 0.052593078 0.053326275 0.054214622 0.055637043 0.056948156 0.060346692 0.065077122 0.066031002 0.067842863 0.069475712 0.071462576 0.074545970 0.076156765 0.077247716 0.077568970 0.080483193 0.082118523 0.086843551 0.092358999 0.096007476 0.098056356 0.100067312 0.104460193 0.108558195 0.112010044 0.113372902 0.115082928 0.116636952 0.121921706 0.129872291 0.133712026 0.135963578 0.139991346 0.142911617 0.148050244 0.152507995 0.154403945 0.162113694 0.168743813 0.176542333 0.178521800 0.187893078 0.197227833 0.199382169 0.204758585 0.216288190 0.222085190 0.229290260 0.254757148 0.280239855 0.300302901 0.315816628 0.353297839 0.373547555 0.394006894 0.419981274 0.470815971 0.522135788 0.553647259 0.585469635 0.608485727 0.613560652 0.628819732 0.702129382 0.745310172 0.748854888 0.767056653 0.771012614 0.777547721 0.780133856 0.784347398 0.792158335 0.794561315 0.797311208 0.809007848 0.825803859 0.826593308 0.828440855 0.833022357 0.851609573 0.854412556 0.875706732 0.879724211 0.902094484 0.904209608 0.908344168 0.919742659 0.921665839 0.930976635 0.933599856 1.063810031 1.137237258 1.304019836 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:-5.2335,-1.1287,1.654;-5.8463,-1.2538,.745;-4.3166,-.5816,1.3682;-5.8045,-.487,2.3478;-4.8937,-2.482,2.276;-4.4292,-3.1266,1.5082;-5.826,-2.9936,2.5813;-3.9461,-2.41,3.4755;-2.9887,-1.9505,3.1642;-3.71,-3.4326,3.8165;-4.5128,-1.6257,4.6689;-5.4884,-2.0623,4.9545;-4.6719,-.5685,4.4007;-3.5976,-1.7143,5.8581;-1.6854,-.7276,7.2001;-1.0624,-1.4936,6.7042;-1.8674,-1.122,8.2178;-.9217,.5956,7.2714;-1.6093,1.3927,7.6108;-.6078,.8842,6.2496;.303,.5993,8.1912;-.0254,.4334,9.2359;.7287,1.6184,8.1671;1.407,-.4132,7.8401;2.3852,.0122,8.1283;1.4493,-.5407,6.7411;1.2681,-1.7786,8.5154;.3272,-2.2871,8.2483;2.1004,-2.4457,8.231;1.2854,-1.673,9.6151;-3.485,-2.8712,6.4239;-3.6608,-2.6574,7.5203;-2.9896,-.6001,6.4377;-3.1679,.3544,5.9292;-4.4349,2.9747,9.0704;-5.0749,2.8595,9.9621;-4.7317,3.9065,8.5599;-3.3953,3.0991,9.4201;-4.5577,1.77,8.1422;-5.599,1.6851,7.781;-3.9349,1.9389,7.2478;-4.1506,.4664,8.8213;-4.7558,.3306,9.7395;-3.1024,.4958,9.1658;-4.3848,-.8021,8.0299;-4.0283,-1.9098,8.542;-5.3133,-.7783,7.4159; -739.260522985077 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000920903984 0.000189757097 0.031392819970 0.008420268217 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098406446 -0.000068422 0.000082961 0.000155905 0.000201490 0.000269876 0.000444160 0.000604420 0.001020538 0.001104239 0.001440237 0.002319103 0.002593303 0.002825257 0.003091292 0.004216388 0.004812167 0.005828241 0.006510257 0.008077415 0.009106830 0.010982200 0.011460367 0.013607965 0.016016883 0.017536091 0.019566328 0.021834150 0.025628850 0.029395199 0.031148714 0.032938295 0.034860266 0.036660731 0.039095245 0.040715076 0.041667768 0.046386323 0.047653769 0.048904359 0.049432273 0.050757513 0.052593133 0.053326107 0.054215493 0.055637030 0.056948245 0.060346571 0.065077128 0.066042107 0.067842563 0.069476902 0.071462385 0.074546216 0.076156449 0.077261311 0.077574545 0.080483474 0.082119572 0.086844040 0.092359503 0.096007498 0.098056377 0.100067385 0.104460097 0.108557802 0.112010082 0.113372860 0.115091336 0.116637581 0.121926479 0.129872260 0.133712052 0.135964178 0.139992838 0.142920574 0.148050476 0.152507852 0.154406150 0.162113633 0.168743723 0.176542535 0.178524362 0.187904196 0.197228205 0.199382284 0.204787204 0.216360119 0.222166057 0.229284486 0.254808541 0.280245630 0.300330589 0.315827962 0.353298433 0.373572549 0.394043069 0.419983081 0.470816884 0.522139680 0.553649796 0.585470780 0.608493378 0.613562568 0.628819693 0.702129356 0.745310390 0.748854927 0.767056547 0.771018752 0.777553963 0.780137680 0.784347739 0.792168156 0.794564488 0.797311321 0.809007822 0.825805191 0.826594177 0.828440673 0.833022631 0.851637580 0.854421543 0.875706980 0.879730057 0.902175661 0.904209562 0.908345039 0.919743314 0.921671855 0.930981126 0.933602001 1.063811038 1.137237264 1.304019607 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:-5.2409,-1.1357,1.6478;-5.8586,-1.2623,.7423;-4.3225,-.5952,1.3548;-5.8052,-.4872,2.3407;-4.9057,-2.4875,2.2756;-4.4483,-3.1387,1.5093;-5.8393,-2.9922,2.5878;-3.9522,-2.4143,3.4704;-2.9934,-1.9628,3.1522;-3.7212,-3.4363,3.8164;-4.5088,-1.6197,4.6615;-5.4874,-2.0468,4.9514;-4.6603,-.5625,4.389;-3.5924,-1.7105,5.8496;-1.6824,-.7253,7.1965;-1.0573,-1.4888,6.6995;-1.8657,-1.1232,8.2124;-.9211,.5987,7.2734;-1.6115,1.3946,7.6096;-.602,.8889,6.2538;.2982,.6035,8.2002;-.0358,.4355,9.2425;.7217,1.6234,8.1798;1.4067,-.4058,7.8544;2.3816,.0204,8.1517;1.4577,-.5295,6.7556;1.2657,-1.7736,8.524;.3287,-2.2835,8.2472;2.1022,-2.4376,8.2447;1.2733,-1.6716,9.624;-3.4794,-2.8686,6.4128;-3.6578,-2.6575,7.5098;-2.9854,-.5973,6.4322;-3.1637,.3583,5.9258;-4.4181,2.9709,9.0746;-5.0436,2.8574,9.9787;-4.721,3.9039,8.57;-3.3705,3.0916,9.4064;-4.561,1.767,8.1458;-5.6093,1.6869,7.8003;-3.9505,1.9331,7.241;-4.1493,.4618,8.8186;-4.751,.3218,9.7385;-3.1,.4918,9.1595;-4.3831,-.8041,8.023;-4.0269,-1.9133,8.5322;-5.3107,-.7787,7.4079; -739.260525602836 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000954500810 0.000174427519 0.027432872353 0.008393088189 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098406307 -0.000055873 0.000084408 0.000160654 0.000201987 0.000270628 0.000444047 0.000736046 0.001025083 0.001104223 0.001441390 0.002321446 0.002594017 0.002827719 0.003091298 0.004216446 0.004814197 0.005828346 0.006510505 0.008080571 0.009106923 0.010982138 0.011460324 0.013607984 0.016016813 0.017536023 0.019566248 0.021834091 0.025629186 0.029395505 0.031148732 0.032938207 0.034860438 0.036660712 0.039095232 0.040715381 0.041667764 0.046386358 0.047653739 0.048904093 0.049432275 0.050759993 0.052592805 0.053325724 0.054216105 0.055636982 0.056948036 0.060346415 0.065077185 0.066053786 0.067842298 0.069476361 0.071463063 0.074546128 0.076156200 0.077282859 0.077580512 0.080483963 0.082122244 0.086845255 0.092362560 0.096007488 0.098056390 0.100067480 0.104460529 0.108557485 0.112010111 0.113372973 0.115098926 0.116639140 0.121929316 0.129872276 0.133712003 0.135964237 0.139995049 0.142927735 0.148050351 0.152507706 0.154408838 0.162114148 0.168743711 0.176542263 0.178524351 0.187923332 0.197229268 0.199382327 0.204829901 0.216371198 0.222341524 0.229279342 0.254835145 0.280268904 0.300373691 0.315827395 0.353300607 0.373602846 0.394100589 0.419984366 0.470817112 0.522139581 0.553656100 0.585470830 0.608504310 0.613565287 0.628820376 0.702129641 0.745310500 0.748854862 0.767059244 0.771022731 0.777553732 0.780139305 0.784347705 0.792178044 0.794566111 0.797314468 0.809008015 0.825806453 0.826594391 0.828441734 0.833022577 0.851672995 0.854444128 0.875708890 0.879731554 0.902267154 0.904209810 0.908345539 0.919743092 0.921682256 0.930981074 0.933607527 1.063811231 1.137237432 1.304019802 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:-5.2501,-1.143,1.6417;-5.8745,-1.2705,.7408;-4.3287,-.6123,1.3393;-5.8046,-.4848,2.3337;-4.9226,-2.4934,2.2766;-4.475,-3.1537,1.512;-5.8588,-2.9882,2.5975;-3.9619,-2.4201,3.4657;-3.001,-1.9787,3.1393;-3.7375,-3.4418,3.8172;-4.5057,-1.6132,4.6545;-5.4875,-2.0294,4.9505;-4.6485,-.5561,4.377;-3.5867,-1.7064,5.8408;-1.6777,-.7232,7.1908;-1.0507,-1.4833,6.6909;-1.8613,-1.126,8.2047;-.9188,.6021,7.2745;-1.6127,1.3963,7.6076;-.5937,.8946,6.2573;.2944,.6079,8.2095;-.0465,.4371,9.2493;.7157,1.6289,8.194;1.408,-.3978,7.87;2.3791,.0292,8.1791;1.4703,-.5162,6.771;1.2633,-1.7691,8.5319;.3315,-2.2814,8.2413;2.1057,-2.4288,8.2598;1.257,-1.6719,9.6326;-3.4729,-2.8657,6.4012;-3.6527,-2.6573,7.4988;-2.9806,-.5943,6.4264;-3.1592,.3625,5.9221;-4.4125,2.9657,9.0798;-5.0413,2.8488,9.9794;-4.7123,3.9009,8.5774;-3.3678,3.0847,9.4163;-4.5522,1.7657,8.1476;-5.5981,1.687,7.7984;-3.9391,1.9354,7.2464;-4.1433,.4576,8.8166;-4.7463,.3151,9.7352;-3.0944,.4849,9.159;-4.3778,-.8052,8.0163;-4.0226,-1.9164,8.5222;-5.3054,-.777,7.4013; -739.260525817972 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000840400532 0.000170345608 0.011397805028 0.003320526709 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098407859 -0.000014680 0.000086995 0.000161657 0.000202016 0.000271562 0.000445393 0.000797069 0.001028449 0.001104995 0.001441384 0.002325267 0.002594245 0.002829436 0.003092521 0.004216496 0.004815873 0.005828748 0.006510700 0.008083621 0.009106815 0.010982102 0.011460357 0.013608012 0.016016812 0.017535933 0.019566313 0.021834335 0.025629240 0.029396128 0.031148759 0.032938124 0.034860452 0.036660709 0.039095417 0.040715603 0.041667785 0.046386365 0.047654070 0.048903885 0.049432743 0.050762413 0.052592818 0.053325613 0.054217443 0.055636991 0.056948212 0.060346327 0.065076991 0.066059397 0.067841975 0.069477724 0.071461178 0.074546132 0.076155616 0.077292762 0.077587755 0.080485915 0.082123115 0.086846764 0.092365275 0.096007571 0.098056429 0.100067506 0.104460675 0.108557083 0.112010377 0.113372960 0.115104228 0.116640882 0.121929853 0.129872618 0.133711972 0.135964625 0.139996609 0.142929568 0.148050689 0.152507654 0.154410050 0.162114125 0.168743662 0.176542853 0.178525998 0.187934515 0.197230012 0.199383998 0.204851296 0.216468335 0.222390091 0.229271756 0.254891966 0.280270150 0.300385080 0.315847096 0.353300768 0.373623456 0.394139672 0.419991657 0.470818214 0.522146220 0.553658982 0.585471960 0.608507467 0.613568043 0.628820363 0.702129561 0.745311377 0.748855006 0.767061682 0.771024812 0.777558971 0.780140183 0.784348482 0.792185951 0.794578950 0.797315501 0.809008480 0.825807855 0.826594988 0.828441663 0.833022689 0.851701235 0.854451510 0.875713635 0.879737058 0.902313111 0.904209849 0.908349130 0.919742914 0.921687031 0.930994817 0.933612396 1.063811309 1.137238052 1.304020048 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:-5.2492,-1.1404,1.6448;-5.8707,-1.2679,.7422;-4.3303,-.6039,1.3466;-5.8086,-.4879,2.3376;-4.9158,-2.4909,2.2759;-4.4636,-3.1461,1.5102;-5.8497,-2.9914,2.5933;-3.9576,-2.417,3.4669;-2.9984,-1.9704,3.1435;-3.7291,-3.4385,3.8158;-4.5067,-1.6162,4.6568;-5.4867,-2.0375,4.9503;-4.6538,-.5592,4.3817;-3.5886,-1.7084,5.8437;-1.6793,-.7242,7.1925;-1.0527,-1.4854,6.6938;-1.8629,-1.1252,8.2071;-.9196,.6008,7.274;-1.6124,1.3955,7.6079;-.5964,.8924,6.2561;.2953,.6063,8.2064;-.0435,.4367,9.247;.7174,1.6269,8.1892;1.4071,-.4009,7.8653;2.3794,.0259,8.1699;1.4653,-.5216,6.7665;1.2637,-1.7705,8.5305;.3299,-2.2816,8.2455;2.1034,-2.4322,8.2558;1.2629,-1.6712,9.6306;-3.4749,-2.8671,6.4053;-3.6544,-2.6575,7.5028;-2.9821,-.5957,6.4279;-3.1606,.3605,5.9227;-4.4131,2.9677,9.0774;-5.04,2.8522,9.9792;-4.7143,3.9022,8.5745;-3.3669,3.087,9.4114;-4.5549,1.7662,8.1464;-5.6019,1.6875,7.7989;-3.9429,1.9344,7.2436;-4.1452,.4591,8.8168;-4.7479,.3176,9.7358;-3.0962,.4872,9.1588;-4.3797,-.8048,8.0183;-4.0242,-1.9153,8.5255;-5.3072,-.7777,7.4032; -739.260527618552 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000177528452 0.000034111690 0.011015623104 0.004780647832 0.000300000000 0.000200000000 0.002534804962 0.001689869975 -0.098406548 -0.000187210 0.000135322 0.000167086 0.000212126 0.000310891 0.000516526 0.000790510 0.001027011 0.001142031 0.001455865 0.002325507 0.002597386 0.002833494 0.003103313 0.004216953 0.004817398 0.005828717 0.006509776 0.008083050 0.009106981 0.010982265 0.011460288 0.013608036 0.016016523 0.017535924 0.019566789 0.021834112 0.025629309 0.029396856 0.031148808 0.032938357 0.034860503 0.036660672 0.039095455 0.040715493 0.041668361 0.046386471 0.047653888 0.048903827 0.049433520 0.050762934 0.052592805 0.053326271 0.054217260 0.055636904 0.056949896 0.060347287 0.065077079 0.066058800 0.067844487 0.069496433 0.071462770 0.074547749 0.076155874 0.077292102 0.077591379 0.080491204 0.082123087 0.086846555 0.092365336 0.096007773 0.098056445 0.100067722 0.104460896 0.108557973 0.112012204 0.113373291 0.115105173 0.116641039 0.121929879 0.129874189 0.133712912 0.135966121 0.139996429 0.142929484 0.148058799 0.152515971 0.154410103 0.162114503 0.168747518 0.176545613 0.178526188 0.187935202 0.197229985 0.199386725 0.204851785 0.216646962 0.222395487 0.229300192 0.254937613 0.280280502 0.300384759 0.315894887 0.353301772 0.373628832 0.394139378 0.420001873 0.470818217 0.522157277 0.553659624 0.585477607 0.608508004 0.613568749 0.628821502 0.702131101 0.745314302 0.748855578 0.767064115 0.771024768 0.777561339 0.780140220 0.784350520 0.792186734 0.794635805 0.797318409 0.809008472 0.825808846 0.826596299 0.828452023 0.833023350 0.851706543 0.854451501 0.875771271 0.879738012 0.902313137 0.904210124 0.908352992 0.919743290 0.921688107 0.931014372 0.933612507 1.063811396 1.137238540 1.304021825 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:-5.2415,-1.1348,1.6483;-5.862,-1.261,.7447;-4.3221,-.597,1.3519;-5.8021,-.4836,2.3421;-4.9082,-2.4868,2.2768;-4.4529,-3.1398,1.5104;-5.8426,-2.9894,2.5905;-3.9535,-2.4144,3.4706;-2.9946,-1.9637,3.1516;-3.723,-3.4367,3.8164;-4.5088,-1.6194,4.6621;-5.4875,-2.0459,4.9527;-4.6598,-.5621,4.3896;-3.5919,-1.7107,5.8498;-1.6813,-.7258,7.1958;-1.0567,-1.4893,6.6985;-1.8641,-1.1234,8.2118;-.9196,.5982,7.2722;-1.6103,1.3945,7.607;-.5995,.8875,6.2526;.2986,.6037,8.2003;-.0367,.436,9.2424;.7218,1.6238,8.18;1.4083,-.405,7.8568;2.3819,.0211,8.1589;1.4637,-.5264,6.7577;1.2651,-1.7743,8.5232;.331,-2.2862,8.2389;2.1051,-2.436,8.2482;1.2649,-1.6743,9.6237;-3.4789,-2.8688,6.4128;-3.6565,-2.6577,7.51;-2.9848,-.5975,6.4324;-3.1631,.3581,5.926;-4.4219,2.9704,9.0732;-5.0501,2.8556,9.9741;-4.7243,3.903,8.5674;-3.3767,3.0931,9.4087;-4.5594,1.7666,8.145;-5.6057,1.6845,7.7963;-3.9467,1.9342,7.2426;-4.1477,.4618,8.8186;-4.7496,.322,9.7384;-3.0985,.4921,9.1598;-4.3814,-.8043,8.0233;-4.0248,-1.9134,8.5326;-5.3093,-.7791,7.4088; -739.260526946357 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000608957560 0.000119230361 0.027489933625 0.006997419015 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098413092 -0.000039263 0.000060280 0.000178243 0.000214385 0.000243419 0.000485765 0.000828850 0.001029751 0.001161859 0.001483388 0.002327202 0.002599632 0.002820692 0.003111748 0.004216296 0.004821805 0.005828719 0.006508867 0.008090395 0.009106989 0.010982810 0.011460234 0.013608463 0.016016522 0.017536657 0.019569713 0.021834887 0.025629815 0.029400028 0.031148888 0.032938771 0.034860646 0.036661466 0.039095647 0.040716474 0.041668164 0.046387457 0.047654230 0.048902366 0.049435845 0.050772107 0.052593237 0.053326401 0.054218484 0.055637108 0.056949913 0.060347132 0.065079107 0.066062204 0.067846854 0.069493093 0.071464099 0.074548390 0.076155651 0.077294486 0.077618449 0.080494642 0.082121252 0.086853731 0.092371544 0.096009869 0.098057508 0.100068014 0.104462303 0.108558285 0.112011953 0.113373766 0.115105925 0.116644529 0.121926859 0.129875728 0.133712978 0.135967334 0.139996256 0.142937524 0.148057840 0.152518135 0.154409907 0.162116239 0.168747775 0.176546170 0.178535540 0.187944172 0.197233330 0.199452742 0.204871863 0.216851347 0.222455439 0.229300877 0.255056985 0.280311438 0.300367455 0.315992370 0.353300111 0.373708281 0.394133979 0.420082879 0.470824023 0.522189263 0.553659558 0.585478960 0.608507774 0.613586755 0.628823751 0.702132170 0.745318690 0.748860934 0.767101326 0.771025269 0.777585290 0.780143358 0.784361444 0.792199350 0.794659897 0.797350860 0.809009848 0.825808580 0.826596629 0.828457266 0.833023532 0.851739902 0.854449316 0.875795115 0.879772266 0.902317311 0.904223299 0.908377555 0.919744237 0.921690058 0.931026576 0.933619578 1.063811469 1.137238983 1.304022948 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:-5.235,-1.1297,1.6527;-5.8474,-1.2544,.7435;-4.3177,-.5837,1.3672;-5.8056,-.4872,2.3456;-4.8968,-2.4829,2.2756;-4.4339,-3.1287,1.5082;-5.8295,-2.9926,2.5818;-3.9481,-2.4114,3.4743;-2.9899,-1.9546,3.1615;-3.7141,-3.434,3.8165;-4.5118,-1.6242,4.6669;-5.4883,-2.058,4.9537;-4.6687,-.567,4.3975;-3.5963,-1.7135,5.8558;-1.6845,-.7271,7.199;-1.0608,-1.4923,6.7028;-1.8668,-1.1224,8.2162;-.9216,.5965,7.2717;-1.6099,1.3932,7.6103;-.6065,.8855,6.2504;.3018,.6005,8.193;-.0278,.4342,9.2372;.7272,1.6196,8.1695;1.4064,-.4118,7.8433;2.3841,.0137,8.1314;1.449,-.5401,6.7448;1.2679,-1.7765,8.5194;.3267,-2.2839,8.254;2.099,-2.4445,8.2347;1.2868,-1.6703,9.6184;-3.4837,-2.8708,6.4208;-3.6597,-2.6578,7.5175;-2.9886,-.5996,6.4363;-3.1669,.3551,5.9283;-4.4302,2.9736,9.0711;-5.0653,2.8592,9.967;-4.7293,3.9055,8.5621;-3.3879,3.0973,9.4146;-4.5596,1.7686,8.1432;-5.6033,1.6848,7.7876;-3.9411,1.9364,7.2451;-4.1503,.4649,8.8206;-4.7541,.3277,9.7395;-3.1017,.495,9.1636;-4.3841,-.803,8.028;-4.0274,-1.9111,8.5394;-5.3124,-.779,7.414; -739.260525377941 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000396138080 0.000100971393 0.026509619847 0.008496340838 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098413696 -0.000016427 0.000024684 0.000169777 0.000217852 0.000272502 0.000497609 0.000672818 0.001021128 0.001164894 0.001515288 0.002332721 0.002607255 0.002820261 0.003107811 0.004215972 0.004819875 0.005828949 0.006509653 0.008091214 0.009107053 0.010982422 0.011460303 0.013608422 0.016016532 0.017536172 0.019569243 0.021835350 0.025630335 0.029399290 0.031149027 0.032938827 0.034860727 0.036661388 0.039096035 0.040716624 0.041668137 0.046387770 0.047655273 0.048902344 0.049435894 0.050771443 0.052592926 0.053326836 0.054219808 0.055637081 0.056949946 0.060347353 0.065079811 0.066068681 0.067849301 0.069494617 0.071466425 0.074546915 0.076155948 0.077304050 0.077621086 0.080494108 0.082123643 0.086853258 0.092373534 0.096008773 0.098057634 0.100068226 0.104462538 0.108558754 0.112011836 0.113374949 0.115109290 0.116645157 0.121927920 0.129875340 0.133713079 0.135966113 0.139999634 0.142939585 0.148058257 0.152517685 0.154410292 0.162115721 0.168747897 0.176546731 0.178538845 0.187950403 0.197233624 0.199452065 0.204882904 0.216865285 0.222520267 0.229336164 0.255057558 0.280312791 0.300388061 0.315998493 0.353293968 0.373712447 0.394190016 0.420070861 0.470825253 0.522194227 0.553661472 0.585476685 0.608508917 0.613587154 0.628822463 0.702132132 0.745321400 0.748861467 0.767100497 0.771023575 0.777590811 0.780143745 0.784361479 0.792199558 0.794660561 0.797349736 0.809009117 0.825809051 0.826596227 0.828459241 0.833022925 0.851744096 0.854467373 0.875788943 0.879774941 0.902291506 0.904229706 0.908374172 0.919745057 0.921694199 0.931028017 0.933622916 1.063811703 1.137238418 1.304023519 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:-5.2423,-1.1381,1.6453;-5.8612,-1.2646,.7407;-4.3225,-.6012,1.3503;-5.8038,-.4863,2.3372;-4.9107,-2.4895,2.2757;-4.4563,-3.1439,1.5103;-5.8455,-2.9904,2.5901;-3.9556,-2.4168,3.4692;-2.9958,-1.9692,3.1489;-3.7274,-3.4388,3.8172;-4.5082,-1.618,4.6591;-5.4879,-2.0413,4.9508;-4.6566,-.5609,4.3847;-3.5912,-1.7095,5.8468;-1.6815,-.7247,7.1945;-1.0555,-1.4867,6.6962;-1.8647,-1.1244,8.2097;-.9213,.6001,7.2737;-1.613,1.3951,7.6094;-.6007,.8914,6.2549;.2963,.6052,8.2027;-.0396,.4361,9.2443;.719,1.6256,8.184;1.4062,-.403,7.8583;2.38,.0237,8.1579;1.4595,-.5256,6.7597;1.2649,-1.7714,8.5265;.329,-2.2816,8.2475;2.1022,-2.4347,8.2483;1.2703,-1.6704,9.6262;-3.478,-2.8679,6.4092;-3.6567,-2.6576,7.5064;-2.9847,-.5965,6.4304;-3.1631,.3594,5.9246;-4.4154,2.9691,9.0769;-5.0424,2.8543,9.9787;-4.7168,3.9031,8.5731;-3.3694,3.0891,9.411;-4.5568,1.7668,8.1472;-5.6038,1.6874,7.7998;-3.9449,1.9342,7.2444;-4.147,.4602,8.8187;-4.7494,.3195,9.738;-3.0979,.4886,9.1603;-4.3817,-.8044,8.0213;-4.026,-1.9145,8.5291;-5.3094,-.7777,7.4064; -739.260527580671 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000182505133 0.000051699073 0.026153261761 0.008397853098 0.000300000000 0.000200000000 0.002465684069 0.001643789379 -0.098414364 -0.000042618 0.000073562 0.000178696 0.000199126 0.000280075 0.000556519 0.000684156 0.001023627 0.001202297 0.001621252 0.002336687 0.002622850 0.002824416 0.003110746 0.004216384 0.004821037 0.005829977 0.006509680 0.008096409 0.009107740 0.010983482 0.011460366 0.013608367 0.016016399 0.017536196 0.019569928 0.021835371 0.025630894 0.029399527 0.031149100 0.032938804 0.034860980 0.036661992 0.039096514 0.040716642 0.041668315 0.046387804 0.047656322 0.048902687 0.049436963 0.050772673 0.052594015 0.053327457 0.054220699 0.055637106 0.056950173 0.060347685 0.065081193 0.066074760 0.067851899 0.069497858 0.071464104 0.074546669 0.076156326 0.077325455 0.077622267 0.080496354 0.082133710 0.086853827 0.092377272 0.096010051 0.098059108 0.100068173 0.104462433 0.108558491 0.112013319 0.113376506 0.115114878 0.116646544 0.121935005 0.129878395 0.133713237 0.135966385 0.140005241 0.142939275 0.148059925 0.152517974 0.154419232 0.162128051 0.168748616 0.176547332 0.178554206 0.187966047 0.197234046 0.199564059 0.204915439 0.216921817 0.222623451 0.229445023 0.255073387 0.280312543 0.300459935 0.316065903 0.353314924 0.373720248 0.394319931 0.420093700 0.470831578 0.522216528 0.553665471 0.585480762 0.608528362 0.613590371 0.628823385 0.702132763 0.745328159 0.748864793 0.767166329 0.771024900 0.777615534 0.780145575 0.784367830 0.792201287 0.794668307 0.797403025 0.809012713 0.825810903 0.826596517 0.828472769 0.833028116 0.851752436 0.854519065 0.875800336 0.879795317 0.902357824 0.904277208 0.908396972 0.919747179 0.921700616 0.931034094 0.933625227 1.063811821 1.137242755 1.304030376 13 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-5.2539,-1.1353,1.6491;-5.881,-1.26,.7499;-4.3326,-.6058,1.3453;-5.8054,-.4774,2.3436;-4.9271,-2.4874,2.2807;-4.4825,-3.1471,1.5139;-5.8634,-2.9811,2.603;-3.9634,-2.4178,3.4676;-3.0026,-1.977,3.1397;-3.7395,-3.4405,3.8167;-4.5036,-1.6123,4.659;-5.485,-2.0283,4.957;-4.6466,-.5546,4.3833;-3.5821,-1.7069,5.8432;-1.6723,-.7247,7.1929;-1.0467,-1.487,6.6946;-1.8571,-1.125,8.2076;-.9107,.5993,7.2745;-1.6031,1.3954,7.6061;-.5846,.8895,6.2571;.302,.6041,8.21;-.0395,.4342,9.2498;.7244,1.6247,8.1941;1.4148,-.4028,7.8716;2.3853,.0226,8.1831;1.479,-.5196,6.773;1.2678,-1.7747,8.5313;.337,-2.2856,8.2385;2.1097,-2.4348,8.2607;1.2594,-1.6791,9.6313;-3.4684,-2.8661,6.4037;-3.6469,-2.657,7.502;-2.9746,-.595,6.4277;-3.1528,.3618,5.9236;-4.4325,2.9669,9.0688;-5.0632,2.8477,9.9676;-4.7384,3.8983,8.563;-3.3891,3.0947,9.4078;-4.5603,1.7635,8.1387;-5.605,1.6766,7.7862;-3.9453,1.9352,7.2387;-4.1446,.46,8.8124;-4.7472,.3177,9.7314;-3.0959,.4937,9.1547;-4.3736,-.8061,8.0159;-4.0156,-1.915,8.5248;-5.3007,-.7826,7.4001; -739.260525337315 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000636508596 0.000137892196 0.023926563478 0.006598582341 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098411575 0.000031812 0.000107317 0.000171761 0.000211859 0.000294587 0.000597793 0.000684652 0.001024670 0.001200829 0.001617004 0.002343041 0.002627098 0.002828078 0.003114085 0.004216468 0.004820765 0.005830245 0.006509468 0.008097686 0.009107716 0.010983673 0.011460446 0.013608540 0.016017245 0.017536278 0.019569864 0.021835424 0.025630865 0.029399837 0.031149721 0.032939095 0.034861024 0.036662117 0.039097067 0.040716474 0.041668379 0.046387871 0.047656891 0.048902870 0.049438760 0.050772478 0.052594524 0.053326976 0.054220260 0.055637246 0.056950685 0.060347835 0.065081530 0.066074808 0.067851926 0.069500090 0.071463447 0.074548265 0.076156004 0.077325505 0.077627439 0.080496284 0.082133712 0.086854489 0.092377128 0.096010677 0.098060163 0.100068314 0.104462854 0.108558155 0.112013975 0.113377195 0.115115351 0.116647278 0.121935294 0.129878451 0.133713701 0.135967595 0.140006061 0.142940453 0.148062278 0.152519056 0.154421333 0.162129819 0.168752928 0.176547604 0.178570335 0.187967999 0.197234403 0.199611799 0.204917628 0.216932434 0.222632520 0.229513896 0.255075627 0.280323460 0.300465035 0.316082930 0.353319183 0.373761058 0.394328083 0.420114142 0.470837918 0.522233048 0.553668533 0.585488258 0.608529176 0.613598881 0.628823895 0.702135012 0.745329180 0.748874739 0.767197085 0.771025698 0.777626366 0.780146252 0.784368439 0.792215568 0.794677571 0.797431468 0.809013403 0.825812122 0.826597011 0.828481052 0.833028188 0.851754218 0.854520838 0.875806547 0.879805394 0.902366336 0.904292379 0.908401211 0.919747157 0.921706631 0.931039973 0.933630126 1.063811868 1.137245026 1.304030740 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:-5.2436,-1.1331,1.65;-5.863,-1.2576,.7456;-4.3238,-.5962,1.3556;-5.8044,-.4823,2.3433;-4.9123,-2.4858,2.2778;-4.4586,-3.1388,1.5112;-5.847,-2.9868,2.5917;-3.9567,-2.4157,3.4711;-2.9972,-1.9673,3.1513;-3.7282,-3.4382,3.8169;-4.5089,-1.6194,4.6626;-5.4876,-2.0443,4.9547;-4.6589,-.5622,4.3897;-3.5905,-1.7111,5.8492;-1.6791,-.7265,7.1946;-1.0541,-1.4894,6.6966;-1.862,-1.1252,8.2103;-.9178,.5977,7.2726;-1.6092,1.3937,7.6068;-.5963,.8876,6.2537;.299,.6034,8.2026;-.0377,.4346,9.244;.7214,1.6239,8.1838;1.4102,-.404,7.8601;2.3827,.0224,8.1651;1.4683,-.5235,6.7611;1.2668,-1.7745,8.5238;.3342,-2.2869,8.2361;2.1082,-2.4348,8.2501;1.2635,-1.6762,9.6242;-3.4772,-2.8692,6.4121;-3.6544,-2.6581,7.5096;-2.9826,-.598,6.4312;-3.1609,.3576,5.9249;-4.4256,2.9703,9.0707;-5.0566,2.8547,9.9697;-4.7279,3.9024,8.5641;-3.3816,3.0945,9.4096;-4.5584,1.7661,8.142;-5.6036,1.6824,7.7901;-3.9431,1.9346,7.2415;-4.1467,.4619,8.8169;-4.7495,.3224,9.736;-3.0978,.4928,9.1591;-4.3794,-.8047,8.0221;-4.0223,-1.9135,8.5319;-5.3072,-.7803,7.4075; -739.260527468643 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000343230126 0.000060473531 0.034815151894 0.008551149316 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098411025 -0.000032141 0.000121751 0.000190426 0.000198301 0.000309631 0.000612071 0.000666152 0.001049921 0.001220046 0.001622186 0.002346906 0.002635434 0.002846623 0.003127269 0.004217086 0.004822504 0.005830206 0.006510321 0.008100214 0.009107415 0.010983810 0.011460862 0.013608850 0.016017722 0.017537191 0.019570304 0.021835750 0.025631469 0.029401158 0.031150138 0.032940556 0.034861188 0.036662601 0.039097179 0.040716447 0.041669240 0.046388280 0.047658332 0.048903109 0.049439756 0.050771906 0.052596164 0.053331503 0.054220995 0.055637372 0.056953789 0.060349639 0.065082183 0.066076980 0.067851186 0.069512866 0.071468661 0.074545280 0.076156144 0.077328587 0.077631895 0.080502289 0.082134319 0.086855509 0.092378115 0.096011419 0.098061273 0.100067994 0.104462740 0.108558845 0.112014191 0.113378234 0.115115821 0.116647804 0.121935375 0.129881243 0.133714372 0.135967887 0.140008001 0.142939672 0.148064609 0.152522604 0.154421767 0.162131706 0.168756215 0.176548046 0.178587181 0.187970485 0.197234664 0.199656918 0.204920908 0.216989947 0.222684735 0.229691630 0.255096702 0.280355282 0.300476964 0.316104465 0.353356398 0.373779812 0.394350587 0.420142971 0.470852858 0.522241948 0.553669944 0.585517736 0.608533820 0.613603918 0.628824759 0.702138543 0.745353209 0.748888893 0.767212714 0.771025982 0.777637082 0.780146410 0.784381661 0.792223574 0.794741856 0.797450626 0.809013628 0.825815172 0.826597779 0.828485545 0.833036023 0.851757514 0.854526545 0.875828179 0.879811525 0.902372047 0.904299632 0.908404328 0.919748896 0.921711932 0.931061481 0.933637385 1.063812552 1.137247661 1.304035476 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:-5.2258,-1.1272,1.6508;-5.8415,-1.25,.7431;-4.304,-.5896,1.3612;-5.7897,-.4774,2.3435;-4.8977,-2.4817,2.2768;-4.4382,-3.1323,1.511;-5.8344,-2.9846,2.5832;-3.9501,-2.4138,3.4768;-2.99,-1.96,3.1654;-3.7197,-3.4373,3.8188;-4.5132,-1.6257,4.6691;-5.4902,-2.0585,4.956;-4.6692,-.5684,4.3993;-3.5979,-1.715,5.8581;-1.6856,-.7279,7.2003;-1.0621,-1.4931,6.704;-1.8673,-1.1227,8.2176;-.9232,.5958,7.2718;-1.6114,1.3923,7.6108;-.6092,.8847,6.2502;.301,.6006,8.192;-.0274,.4332,9.2362;.7249,1.6203,8.1688;1.4068,-.4097,7.8406;2.3837,.0165,8.1303;1.4502,-.5352,6.7418;1.2697,-1.7762,8.5134;.3299,-2.2848,8.2457;2.1024,-2.442,8.2282;1.287,-1.6725,9.6127;-3.4857,-2.872,6.4237;-3.6611,-2.6584,7.5203;-2.9899,-.6009,6.4379;-3.1683,.3535,5.9294;-4.4317,2.9737,9.071;-5.0677,2.8598,9.9667;-4.7305,3.9053,8.5613;-3.3894,3.0977,9.4155;-4.56,1.7684,8.1433;-5.6035,1.6843,7.7865;-3.9405,1.9357,7.2455;-4.1514,.4651,8.8218;-4.7557,.3288,9.7406;-3.1029,.4951,9.1654;-4.3851,-.8034,8.0303;-4.0281,-1.9111,8.5422;-5.3136,-.78,7.4164; -739.260524842957 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000689286905 0.000133282942 0.028862983118 0.008498020863 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098411354 -0.000033436 0.000056808 0.000124563 0.000216941 0.000312512 0.000595171 0.000644494 0.001094588 0.001237147 0.001604982 0.002359383 0.002637250 0.002869753 0.003123445 0.004217168 0.004823040 0.005830573 0.006509640 0.008099146 0.009107536 0.010983718 0.011460884 0.013608991 0.016017030 0.017537334 0.019570301 0.021835923 0.025631930 0.029401511 0.031150527 0.032940659 0.034860566 0.036662775 0.039097538 0.040716546 0.041669114 0.046388516 0.047659014 0.048903562 0.049441218 0.050771464 0.052595789 0.053331504 0.054221631 0.055638138 0.056953823 0.060348989 0.065082646 0.066076557 0.067851617 0.069515133 0.071468606 0.074541461 0.076157364 0.077332780 0.077631696 0.080503546 0.082135862 0.086857238 0.092378825 0.096011485 0.098061391 0.100067684 0.104462829 0.108559264 0.112014122 0.113378547 0.115118416 0.116649167 0.121935476 0.129880891 0.133714325 0.135967351 0.140008145 0.142943275 0.148064930 0.152524175 0.154422801 0.162131666 0.168759418 0.176556837 0.178591942 0.187974103 0.197235304 0.199676813 0.204924475 0.216988057 0.222735752 0.229776907 0.255095808 0.280369082 0.300484756 0.316104180 0.353394065 0.373799466 0.394358477 0.420148303 0.470876853 0.522246073 0.553669804 0.585529760 0.608534245 0.613604678 0.628826614 0.702138559 0.745355468 0.748894312 0.767221124 0.771026670 0.777640184 0.780146714 0.784390268 0.792224753 0.794762145 0.797461389 0.809013337 0.825815559 0.826598302 0.828485155 0.833035467 0.851762320 0.854527911 0.875849448 0.879812887 0.902380874 0.904309847 0.908405005 0.919749475 0.921712811 0.931064470 0.933642317 1.063811964 1.137247852 1.304035793 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:-5.2123,-1.1327,1.6417;-5.8213,-1.252,.7298;-4.2823,-.6083,1.3576;-5.7738,-.473,2.3254;-4.9056,-2.4876,2.2779;-4.4532,-3.1499,1.5182;-5.8503,-2.9749,2.5845;-3.9603,-2.4257,3.4797;-2.9926,-1.9888,3.1669;-3.7462,-3.4502,3.83;-4.5135,-1.62,4.6652;-5.4959,-2.0384,4.9559;-4.6566,-.563,4.3867;-3.5989,-1.7108,5.8548;-1.6867,-.7259,7.1988;-1.0624,-1.4887,6.6999;-1.868,-1.1245,8.2149;-.9256,.5985,7.2749;-1.6154,1.3934,7.6147;-.6103,.8905,6.2546;.2969,.6028,8.1973;-.0328,.4293,9.2403;.7175,1.6242,8.1798;1.4074,-.4014,7.8432;2.3815,.026,8.1412;1.4566,-.5181,6.7434;1.2719,-1.774,8.5047;.3368,-2.2863,8.2251;2.111,-2.4328,8.2206;1.2796,-1.6788,9.6054;-3.4873,-2.8687,6.4186;-3.663,-2.657,7.5157;-2.9912,-.5977,6.4369;-3.169,.3576,5.9297;-4.4234,2.9723,9.0779;-5.049,2.8584,9.9809;-4.727,3.9045,8.5723;-3.3771,3.0948,9.4103;-4.5642,1.7678,8.1508;-5.6117,1.6861,7.8052;-3.9541,1.9343,7.2465;-4.1514,.4633,8.8243;-4.752,.3237,9.7451;-3.1017,.4936,9.164;-4.3862,-.803,8.0296;-4.0294,-1.9121,8.5388;-5.3147,-.7778,7.4158; -739.260524296968 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000524814835 0.000126705410 0.030706867178 0.008415630847 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098411277 -0.000074523 0.000123216 0.000125279 0.000217662 0.000312591 0.000596059 0.000657032 0.001112695 0.001302056 0.001607479 0.002367261 0.002637744 0.002879420 0.003124207 0.004217323 0.004823326 0.005830556 0.006509870 0.008099092 0.009107634 0.010983703 0.011460846 0.013608987 0.016017004 0.017537270 0.019570120 0.021835849 0.025631924 0.029401679 0.031150540 0.032941122 0.034860669 0.036662799 0.039097526 0.040716527 0.041669174 0.046389166 0.047659214 0.048903496 0.049441489 0.050771697 0.052595545 0.053332049 0.054221515 0.055638077 0.056954215 0.060348725 0.065082821 0.066075869 0.067855094 0.069514378 0.071466674 0.074541609 0.076159882 0.077332632 0.077631699 0.080503424 0.082135963 0.086858583 0.092378796 0.096011453 0.098061495 0.100068547 0.104463316 0.108559109 0.112014773 0.113378433 0.115118329 0.116649399 0.121936171 0.129881412 0.133714260 0.135967353 0.140007768 0.142943184 0.148065687 0.152523845 0.154422732 0.162131676 0.168759136 0.176573037 0.178607142 0.187974117 0.197243576 0.199680418 0.204931679 0.216996231 0.222732613 0.229784208 0.255095655 0.280367050 0.300484426 0.316107238 0.353434385 0.373799996 0.394359584 0.420161726 0.470899151 0.522246626 0.553670370 0.585535892 0.608535010 0.613605266 0.628833537 0.702142762 0.745369407 0.748896068 0.767221458 0.771026657 0.777643562 0.780147122 0.784418584 0.792225291 0.794761704 0.797465157 0.809013338 0.825816687 0.826600636 0.828516198 0.833039278 0.851766771 0.854530229 0.875848442 0.879812937 0.902381079 0.904313723 0.908405483 0.919752251 0.921712832 0.931064779 0.933644245 1.063811898 1.137248673 1.304037090 17 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:-5.2277,-1.142,1.6352;-5.8521,-1.2672,.7336;-4.2987,-.6244,1.3315;-5.7752,-.4727,2.323;-4.9181,-2.4929,2.2777;-4.4734,-3.161,1.5182;-5.861,-2.9767,2.5956;-3.9634,-2.4245,3.4718;-2.999,-1.9882,3.1503;-3.7457,-3.4466,3.8249;-4.5089,-1.6152,4.6575;-5.4914,-2.0297,4.9517;-4.6499,-.5587,4.378;-3.5922,-1.7074,5.8455;-1.6828,-.7235,7.1944;-1.0562,-1.4836,6.6942;-1.8654,-1.1256,8.2087;-.9241,.6019,7.2765;-1.617,1.3955,7.6131;-.6032,.8956,6.2585;.2928,.6071,8.2063;-.0432,.4331,9.2471;.7124,1.6287,8.1916;1.4064,-.3959,7.8592;2.3779,.0316,8.165;1.4638,-.511,6.76;1.2672,-1.7692,8.5177;.3349,-2.2814,8.2309;2.1086,-2.4271,8.2395;1.2669,-1.6753,9.6181;-3.4791,-2.8663,6.4069;-3.6582,-2.6571,7.5045;-2.9861,-.5949,6.4305;-3.1646,.3614,5.9254;-4.4103,2.9677,9.0828;-5.0315,2.8526,9.9886;-4.7141,3.9025,8.5819;-3.3619,3.0862,9.4101;-4.5587,1.7663,8.1526;-5.6075,1.6892,7.8104;-3.951,1.9334,7.2468;-4.1478,.4586,8.8211;-4.749,.3161,9.7408;-3.0983,.4865,9.1616;-4.3831,-.8046,8.0217;-4.0277,-1.9155,8.5278;-5.3107,-.7767,7.4067; -739.260525430723 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000788561576 0.000175566107 0.025200968295 0.008489250921 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098410389 -0.000138520 0.000101689 0.000136665 0.000221081 0.000312129 0.000598014 0.000655123 0.001122445 0.001478390 0.001619717 0.002403322 0.002638960 0.002893036 0.003129867 0.004217125 0.004827015 0.005831256 0.006510084 0.008098889 0.009107975 0.010983707 0.011460826 0.013609149 0.016016858 0.017537255 0.019570244 0.021835711 0.025631835 0.029402495 0.031150697 0.032945909 0.034861099 0.036662836 0.039097518 0.040716440 0.041669915 0.046391226 0.047660674 0.048903541 0.049442362 0.050772147 0.052595359 0.053332628 0.054221779 0.055638175 0.056955876 0.060348714 0.065082780 0.066075730 0.067856674 0.069513557 0.071465846 0.074540894 0.076171603 0.077333972 0.077630756 0.080504222 0.082136524 0.086862940 0.092378885 0.096011714 0.098061415 0.100069771 0.104464452 0.108559869 0.112014187 0.113378412 0.115118831 0.116649689 0.121937212 0.129882471 0.133714312 0.135967301 0.140007344 0.142943454 0.148065606 0.152527919 0.154423117 0.162132216 0.168759267 0.176614209 0.178652014 0.187975029 0.197264115 0.199688800 0.204945382 0.216987313 0.222767204 0.229845392 0.255107550 0.280375110 0.300488927 0.316106084 0.353559140 0.373803297 0.394369690 0.420217301 0.470951400 0.522246929 0.553671279 0.585566544 0.608537294 0.613606996 0.628842156 0.702147935 0.745404816 0.748899741 0.767222470 0.771026788 0.777646818 0.780147291 0.784488168 0.792226073 0.794784248 0.797469967 0.809013444 0.825817594 0.826603258 0.828544789 0.833040631 0.851769879 0.854531702 0.875891636 0.879813311 0.902382870 0.904327554 0.908408880 0.919754072 0.921713153 0.931066617 0.933651353 1.063812500 1.137249828 1.304037309 18 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:-5.2316,-1.151,1.6284;-5.8526,-1.2749,.7254;-4.3001,-.6401,1.3271;-5.7779,-.4774,2.3102;-4.9317,-2.5008,2.278;-4.4947,-3.1771,1.5219;-5.878,-2.9741,2.6008;-3.9731,-2.4342,3.4689;-3.0033,-2.0134,3.1405;-3.768,-3.4566,3.8307;-4.5048,-1.6065,4.6492;-5.4933,-2.0049,4.9492;-4.632,-.5499,4.3613;-3.5877,-1.7016,5.8368;-1.6803,-.7204,7.1907;-1.0521,-1.4779,6.6886;-1.8637,-1.1265,8.2033;-.9235,.6058,7.2786;-1.619,1.3979,7.613;-.598,.9015,6.2626;.2886,.6116,8.2148;-.0526,.4344,9.2534;.7056,1.6345,8.2047;1.4073,-.387,7.8717;2.375,.0412,8.1896;1.4755,-.4949,6.7719;1.2654,-1.7651,8.5202;.3391,-2.2807,8.2174;2.114,-2.4171,8.2488;1.2496,-1.678,9.6218;-3.4748,-2.8621,6.3952;-3.656,-2.6561,7.4931;-2.9829,-.5905,6.4257;-3.1611,.3672,5.9232;-4.3994,2.9633,9.0905;-5.0156,2.8468,9.9995;-4.7039,3.9003,8.5942;-3.3489,3.0785,9.4121;-4.5558,1.7651,8.1576;-5.6066,1.6918,7.8204;-3.9522,1.933,7.2491;-4.1452,.4545,8.8204;-4.746,.3085,9.74;-3.0956,.4805,9.1606;-4.3811,-.8053,8.0159;-4.0266,-1.9183,8.5181;-5.3081,-.7745,7.4002; -739.260521728309 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001011530596 0.000215447498 0.030809203784 0.008553665674 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098410369 -0.000116823 0.000106718 0.000138832 0.000221101 0.000311785 0.000597674 0.000656020 0.001132359 0.001584636 0.001663282 0.002437469 0.002638852 0.002904266 0.003136483 0.004217109 0.004830136 0.005831715 0.006510454 0.008100077 0.009108096 0.010983627 0.011460786 0.013609369 0.016016834 0.017537494 0.019570080 0.021835694 0.025632059 0.029402772 0.031150786 0.032954272 0.034861555 0.036662882 0.039097512 0.040716388 0.041671157 0.046393605 0.047661574 0.048903587 0.049443515 0.050772097 0.052595436 0.053332263 0.054221577 0.055638190 0.056955387 0.060348381 0.065082581 0.066075282 0.067858588 0.069515800 0.071463675 0.074540955 0.076182842 0.077333695 0.077630530 0.080505996 0.082136401 0.086864317 0.092379350 0.096012094 0.098061437 0.100071124 0.104466372 0.108561210 0.112014188 0.113378398 0.115119153 0.116649770 0.121937870 0.129882546 0.133714231 0.135967316 0.140007089 0.142943311 0.148067346 0.152528549 0.154423426 0.162132203 0.168759237 0.176677487 0.178707166 0.187975327 0.197295207 0.199702942 0.204964031 0.216993254 0.222770141 0.229877677 0.255116966 0.280373452 0.300489818 0.316110785 0.353709512 0.373804893 0.394370869 0.420273688 0.471016720 0.522247356 0.553671193 0.585584539 0.608539150 0.613610347 0.628858947 0.702162470 0.745427949 0.748905163 0.767229403 0.771027272 0.777654490 0.780148185 0.784562364 0.792226593 0.794783642 0.797480231 0.809013714 0.825818725 0.826606609 0.828615053 0.833040932 0.851772551 0.854536914 0.875904445 0.879817506 0.902382652 0.904341435 0.908409048 0.919754936 0.921715008 0.931066654 0.933653862 1.063816114 1.137250190 1.304038222 19 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:-5.2461,-1.1553,1.6245;-5.8834,-1.2824,.7321;-4.3126,-.6565,1.3026;-5.7746,-.4682,2.3102;-4.9498,-2.5027,2.281;-4.5236,-3.1871,1.5251;-5.8964,-2.9682,2.6153;-3.9808,-2.4337,3.4636;-3.0139,-2.0153,3.1266;-3.7741,-3.4545,3.8269;-4.5019,-1.603,4.6451;-5.4893,-1.9976,4.9505;-4.6278,-.5471,4.3566;-3.5798,-1.6993,5.8291;-1.6727,-.7191,7.1843;-1.0425,-1.4734,6.6797;-1.8571,-1.1301,8.1948;-.9178,.608,7.2798;-1.6165,1.3989,7.6106;-.5853,.906,6.2666;.2873,.6138,8.2251;-.0617,.4344,9.2609;.7031,1.6373,8.22;1.41,-.3826,7.8891;2.3741,.0455,8.2171;1.4882,-.487,6.79;1.2641,-1.7627,8.532;.3418,-2.2781,8.2196;2.1157,-2.4129,8.2668;1.2385,-1.6789,9.633;-3.4648,-2.8604,6.3855;-3.6469,-2.656,7.4842;-2.9748,-.5886,6.4187;-3.1539,.3699,5.9179;-4.4007,2.9589,9.0907;-5.0221,2.8389,9.9955;-4.7035,3.8968,8.5952;-3.3525,3.0749,9.4189;-4.5496,1.7632,8.1539;-5.5984,1.6884,7.8113;-3.942,1.935,7.249;-4.1394,.4517,8.8152;-4.7416,.3039,9.7335;-3.0903,.4776,9.1571;-4.3736,-.8069,8.0084;-4.0183,-1.9204,8.5092;-5.3003,-.7759,7.3925; -739.260519553954 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001100819045 0.000235036122 0.031711927052 0.008438475803 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098410205 -0.000172441 0.000089390 0.000139373 0.000221323 0.000311819 0.000601111 0.000654823 0.001137628 0.001599282 0.001799721 0.002489714 0.002639201 0.002915309 0.003148981 0.004217090 0.004834098 0.005831958 0.006510758 0.008102261 0.009108603 0.010983801 0.011461280 0.013609877 0.016017241 0.017537972 0.019570006 0.021835950 0.025632821 0.029402853 0.031150766 0.032964810 0.034862051 0.036662864 0.039097711 0.040716415 0.041673308 0.046395271 0.047661634 0.048904726 0.049444309 0.050772138 0.052595916 0.053331646 0.054221253 0.055638394 0.056955398 0.060348870 0.065083261 0.066076487 0.067858242 0.069516502 0.071461761 0.074541036 0.076192823 0.077333894 0.077631319 0.080509852 0.082136304 0.086865410 0.092380630 0.096012499 0.098061469 0.100071915 0.104468142 0.108562359 0.112014456 0.113378381 0.115119154 0.116649799 0.121938641 0.129882587 0.133714148 0.135967470 0.140007864 0.142943325 0.148067873 0.152531774 0.154423473 0.162132131 0.168761661 0.176735979 0.178747228 0.187977096 0.197331889 0.199715509 0.204985068 0.217008341 0.222781024 0.229903529 0.255176074 0.280373638 0.300491178 0.316112298 0.353875720 0.373804985 0.394370906 0.420340742 0.471072115 0.522250163 0.553673315 0.585608021 0.608541577 0.613616672 0.628868720 0.702177761 0.745448815 0.748908518 0.767231656 0.771027512 0.777653985 0.780150161 0.784637939 0.792226858 0.794797607 0.797484745 0.809013681 0.825818986 0.826607577 0.828666910 0.833040714 0.851772456 0.854542067 0.875950923 0.879818853 0.902384365 0.904349658 0.908411676 0.919754677 0.921718467 0.931074908 0.933653925 1.063818105 1.137250356 1.304038295 20 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:-5.2699,-1.1533,1.6346;-5.9053,-1.2796,.742;-4.3443,-.6418,1.3177;-5.8059,-.4793,2.3238;-4.9581,-2.501,2.282;-4.5319,-3.1778,1.5206;-5.8987,-2.9747,2.6195;-3.9821,-2.4312,3.4587;-3.0166,-2.0132,3.1149;-3.7736,-3.4524,3.8212;-4.496,-1.5986,4.6428;-5.4845,-1.9895,4.9523;-4.6192,-.5416,4.3548;-3.571,-1.698,5.8242;-1.6648,-.7195,7.1826;-1.0347,-1.4751,6.6801;-1.8507,-1.1291,8.1932;-.9089,.6067,7.2777;-1.6081,1.3991,7.6037;-.5722,.9017,6.2653;.292,.614,8.228;-.0615,.4394,9.2628;.7092,1.6366,8.2205;1.4153,-.385,7.9017;2.3778,.0422,8.2359;1.5012,-.4913,6.8031;1.2627,-1.7638,8.5458;.3435,-2.2806,8.2243;2.1177,-2.4141,8.2903;1.2254,-1.678,9.6469;-3.4561,-2.8599,6.379;-3.6394,-2.6566,7.4784;-2.9656,-.5883,6.4151;-3.1444,.3709,5.9157;-4.4107,2.9568,9.0841;-5.04,2.8342,9.9833;-4.7125,3.8938,8.5862;-3.3657,3.0764,9.4219;-4.5469,1.761,8.1451;-5.5927,1.6821,7.7939;-3.9326,1.9361,7.2452;-4.1365,.4505,8.8085;-4.7413,.3024,9.7251;-3.0885,.4785,9.1535;-4.367,-.8087,8.0018;-4.0113,-1.9218,8.5032;-5.2929,-.7792,7.3844; -739.260517661898 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001215500037 0.000240633828 0.027014304074 0.008425481681 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098410193 -0.000126110 0.000059500 0.000138930 0.000227333 0.000311334 0.000600501 0.000655881 0.001141850 0.001603273 0.001877487 0.002536676 0.002638873 0.002938574 0.003179921 0.004217185 0.004836398 0.005832763 0.006513401 0.008104801 0.009108954 0.010983944 0.011462376 0.013609892 0.016017207 0.017540519 0.019570251 0.021836455 0.025633587 0.029402856 0.031150878 0.032977271 0.034862518 0.036663060 0.039098246 0.040716324 0.041674498 0.046396655 0.047661839 0.048905448 0.049445814 0.050772396 0.052596192 0.053331388 0.054220966 0.055638581 0.056957223 0.060349612 0.065085581 0.066077782 0.067858921 0.069517572 0.071462564 0.074541676 0.076205303 0.077334861 0.077632760 0.080513815 0.082136365 0.086866829 0.092382279 0.096013754 0.098061540 0.100072018 0.104469301 0.108564164 0.112017047 0.113378508 0.115119314 0.116649820 0.121939783 0.129882676 0.133714223 0.135968526 0.140009096 0.142943529 0.148067827 0.152539303 0.154424186 0.162132264 0.168765230 0.176811815 0.178792913 0.187979049 0.197364113 0.199744707 0.205005547 0.217020772 0.222806051 0.229960201 0.255229653 0.280376363 0.300492649 0.316112199 0.354099494 0.373808110 0.394371044 0.420402095 0.471156936 0.522250015 0.553675564 0.585631090 0.608543889 0.613620021 0.628881059 0.702200593 0.745458561 0.748919926 0.767247848 0.771028814 0.777656135 0.780154536 0.784712618 0.792228546 0.794806972 0.797501801 0.809015179 0.825818985 0.826608516 0.828712463 0.833044385 0.851772525 0.854546413 0.876033959 0.879825698 0.902384993 0.904365772 0.908411668 0.919755246 0.921721185 0.931075777 0.933654123 1.063820847 1.137251854 1.304038560 21 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:-5.2809,-1.1462,1.6456;-5.9219,-1.2757,.7564;-4.3617,-.6222,1.3237;-5.8197,-.4807,2.3438;-4.9495,-2.4948,2.2826;-4.5161,-3.1608,1.5149;-5.8828,-2.9839,2.6199;-3.9717,-2.4199,3.4577;-3.0132,-1.9862,3.1159;-3.7484,-3.4404,3.8128;-4.4954,-1.6033,4.6476;-5.4787,-2.0079,4.9528;-4.6303,-.5462,4.3674;-3.5701,-1.7013,5.8287;-1.6631,-.7217,7.1848;-1.034,-1.4796,6.6842;-1.8503,-1.1287,8.1965;-.9051,.6037,7.2772;-1.6024,1.3975,7.6041;-.5697,.8975,6.2638;.2979,.6092,8.225;-.0542,.4368,9.2609;.7185,1.6308,8.2153;1.4164,-.3947,7.897;2.382,.0314,8.2223;1.4948,-.5076,6.7989;1.2637,-1.7692,8.5501;.3388,-2.282,8.2421;2.1113,-2.4261,8.2897;1.2389,-1.6772,9.6501;-3.4551,-2.8623,6.3853;-3.6373,-2.657,7.4845;-2.9637,-.5908,6.417;-3.1422,.3676,5.9159;-4.424,2.9603,9.0731;-5.0597,2.8382,9.9679;-4.7253,3.8947,8.5702;-3.3821,3.0844,9.4184;-4.5497,1.7613,8.1366;-5.5932,1.6772,7.7797;-3.9311,1.9365,7.2397;-4.1377,.4542,8.8055;-4.7432,.3085,9.722;-3.09,.485,9.1513;-4.3658,-.8082,8.003;-4.0089,-1.9193,8.5079;-5.2916,-.7818,7.3854; -739.260519585190 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001019227103 0.000198518261 0.028322869551 0.008429385230 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098410622 -0.000165036 0.000129698 0.000140623 0.000226344 0.000311465 0.000604526 0.000655825 0.001142995 0.001607351 0.001894982 0.002556526 0.002641966 0.002960684 0.003218028 0.004217501 0.004839391 0.005833789 0.006515201 0.008105942 0.009108973 0.010984054 0.011463175 0.013610147 0.016017254 0.017544505 0.019570962 0.021837459 0.025633969 0.029402941 0.031151272 0.032984666 0.034862737 0.036663360 0.039098788 0.040716365 0.041675229 0.046397057 0.047662028 0.048905792 0.049448154 0.050773067 0.052596500 0.053331536 0.054221259 0.055638574 0.056962267 0.060351068 0.065087694 0.066078437 0.067860647 0.069520410 0.071466985 0.074541761 0.076210853 0.077335893 0.077632906 0.080514016 0.082136781 0.086867390 0.092383479 0.096016092 0.098061569 0.100072097 0.104470159 0.108566202 0.112018168 0.113378729 0.115119911 0.116649917 0.121940157 0.129883193 0.133714334 0.135968784 0.140010259 0.142944212 0.148068512 0.152540001 0.154424482 0.162132900 0.168766592 0.176867958 0.178820688 0.187979774 0.197375826 0.199788417 0.205013190 0.217025697 0.222831487 0.230024758 0.255252416 0.280381953 0.300493939 0.316115533 0.354279622 0.373819436 0.394370980 0.420430291 0.471227614 0.522252112 0.553676979 0.585650950 0.608548656 0.613621267 0.628890151 0.702215505 0.745465766 0.748935641 0.767275412 0.771030258 0.777661414 0.780159631 0.784757235 0.792232668 0.794814594 0.797527884 0.809017884 0.825819049 0.826609656 0.828753342 0.833044449 0.851772989 0.854549629 0.876067453 0.879835895 0.902386460 0.904374348 0.908418779 0.919756815 0.921723168 0.931075893 0.933654793 1.063822888 1.137252317 1.304039002 22 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:-5.2671,-1.1405,1.6491;-5.8958,-1.2683,.7519;-4.3499,-.6065,1.3429;-5.8197,-.4855,2.3446;-4.9319,-2.4907,2.2802;-4.4878,-3.149,1.5123;-5.8645,-2.9879,2.6066;-3.9638,-2.4164,3.463;-3.0057,-1.9738,3.1303;-3.7359,-3.4378,3.8128;-4.5011,-1.6101,4.6549;-5.4823,-2.0251,4.9547;-4.6438,-.5525,4.379;-3.5784,-1.7054,5.8382;-1.6698,-.7237,7.1901;-1.0427,-1.4842,6.6911;-1.8551,-1.1263,8.2036;-.91,.6009,7.2754;-1.6042,1.3958,7.6061;-.5816,.8927,6.2594;.2999,.6061,8.2143;-.0444,.4369,9.253;.7221,1.6266,8.199;1.4143,-.4005,7.8802;2.3837,.0253,8.1959;1.4832,-.5173,6.7815;1.2648,-1.7726,8.5391;.3368,-2.2865,8.238;2.1114,-2.4305,8.2748;1.2469,-1.6768,9.64;-3.464,-2.8651,6.3976;-3.6443,-2.6571,7.496;-2.9715,-.5938,6.4239;-3.1499,.3634,5.9206;-4.4269,2.9651,9.0707;-5.0614,2.8455,9.9667;-4.7287,3.8982,8.5657;-3.3845,3.09,9.4143;-4.5535,1.7636,8.1378;-5.5969,1.6791,7.7812;-3.9348,1.9361,7.2406;-4.1422,.458,8.8103;-4.7475,.3153,9.7274;-3.0944,.4891,9.1555;-4.3716,-.8066,8.0114;-4.0146,-1.9165,8.5188;-5.2982,-.7815,7.3949; -739.260524244632 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000728108532 0.000163231761 0.027524333542 0.008434655810 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098410900 -0.000009982 0.000070813 0.000153591 0.000241821 0.000311796 0.000602752 0.000645178 0.001144435 0.001639036 0.001889439 0.002544855 0.002671175 0.003003770 0.003242880 0.004219092 0.004845307 0.005833428 0.006515590 0.008106287 0.009109127 0.010984145 0.011465325 0.013610866 0.016017498 0.017545192 0.019571048 0.021838349 0.025633913 0.029403482 0.031153337 0.032984279 0.034862995 0.036664247 0.039099251 0.040716532 0.041675220 0.046397093 0.047662534 0.048906323 0.049451360 0.050773766 0.052596670 0.053332688 0.054223621 0.055638591 0.056958578 0.060351481 0.065088519 0.066078738 0.067859913 0.069522717 0.071469347 0.074542236 0.076210405 0.077336655 0.077632944 0.080514133 0.082137333 0.086867613 0.092385057 0.096017455 0.098061644 0.100072257 0.104470402 0.108566105 0.112017724 0.113379332 0.115120414 0.116649952 0.121940768 0.129883204 0.133715386 0.135970018 0.140011478 0.142945275 0.148069526 0.152540675 0.154424461 0.162130667 0.168766934 0.176889392 0.178818553 0.187980866 0.197373791 0.199824093 0.205011905 0.217020248 0.222839577 0.230078655 0.255247093 0.280387832 0.300495822 0.316121717 0.354318367 0.373845255 0.394385189 0.420425273 0.471302133 0.522265661 0.553679028 0.585685160 0.608549904 0.613622780 0.628903652 0.702214787 0.745470750 0.748984626 0.767304721 0.771031941 0.777665001 0.780164486 0.784765996 0.792242540 0.794825161 0.797557645 0.809017042 0.825820328 0.826612482 0.828766581 0.833050716 0.851773966 0.854553258 0.876064755 0.879838816 0.902389108 0.904377091 0.908426762 0.919759483 0.921725231 0.931076091 0.933655215 1.063822409 1.137252849 1.304039150 23 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:-5.245,-1.1391,1.6446;-5.8682,-1.2651,.7425;-4.3234,-.6075,1.3445;-5.8006,-.4826,2.3372;-4.9176,-2.4903,2.2774;-4.4678,-3.1482,1.5125;-5.8538,-2.9865,2.595;-3.9597,-2.419,3.4689;-2.9986,-1.9761,3.1459;-3.7351,-3.4411,3.8187;-4.5068,-1.6156,4.658;-5.4876,-2.0346,4.9521;-4.6519,-.5586,4.3818;-3.5885,-1.7081,5.8447;-1.6786,-.7244,7.1929;-1.0525,-1.4859,6.6941;-1.8622,-1.1252,8.2077;-.9183,.6003,7.2741;-1.611,1.3954,7.6078;-.5948,.8916,6.2562;.2965,.6057,8.2069;-.0425,.4346,9.2474;.718,1.6267,8.1909;1.4091,-.4003,7.8648;2.3808,.0264,8.1716;1.4688,-.5184,6.7658;1.2659,-1.7716,8.5267;.3326,-2.2822,8.2405;2.1057,-2.4324,8.251;1.2648,-1.6748,9.6268;-3.475,-2.867,6.4062;-3.6538,-2.6574,7.5039;-2.9815,-.5956,6.4286;-3.16,.3607,5.9235;-4.4187,2.968,9.076;-5.0463,2.8517,9.9773;-4.7213,3.9016,8.5724;-3.3731,3.0897,9.4109;-4.5573,1.7658,8.1455;-5.604,1.6849,7.7974;-3.9451,1.9347,7.2431;-4.1457,.4598,8.8168;-4.748,.3182,9.7361;-3.0967,.4894,9.1585;-4.3791,-.8048,8.0191;-4.0228,-1.9148,8.5267;-5.3066,-.7786,7.404; -739.260527462535 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000417211025 0.000098151794 0.015335206655 0.003967569240 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.098410720 0.000060144 0.000099478 0.000162161 0.000222169 0.000319308 0.000590295 0.000641204 0.001144292 0.001644188 0.001919446 0.002540836 0.002710029 0.003021713 0.003258503 0.004224087 0.004871366 0.005833089 0.006515455 0.008105796 0.009109833 0.010984143 0.011469052 0.013612459 0.016018033 0.017545220 0.019570561 0.021840171 0.025634253 0.029404756 0.031156116 0.032987654 0.034863172 0.036665138 0.039099796 0.040716239 0.041675744 0.046397277 0.047662207 0.048906741 0.049460024 0.050772329 0.052596688 0.053333183 0.054224058 0.055638617 0.056955447 0.060353757 0.065089056 0.066077595 0.067859922 0.069545891 0.071482136 0.074540569 0.076212470 0.077339126 0.077631616 0.080521424 0.082138621 0.086867951 0.092386692 0.096021466 0.098061973 0.100072267 0.104471493 0.108566667 0.112017992 0.113380595 0.115121496 0.116650885 0.121940534 0.129884365 0.133720849 0.135970190 0.140013008 0.142946012 0.148073504 0.152554568 0.154427190 0.162131881 0.168782008 0.176948926 0.178834247 0.187982764 0.197380829 0.199864875 0.205018106 0.217045243 0.222870810 0.230124938 0.255239954 0.280400474 0.300502716 0.316157019 0.354346097 0.373878421 0.394401966 0.420459824 0.471396569 0.522307063 0.553684391 0.585718765 0.608555016 0.613631503 0.628930824 0.702220501 0.745474915 0.749053180 0.767363306 0.771033222 0.777671161 0.780167859 0.784771940 0.792252913 0.794842430 0.797595901 0.809018469 0.825823257 0.826615533 0.828791232 0.833052669 0.851775547 0.854555831 0.876089353 0.879841340 0.902393759 0.904381272 0.908445584 0.919770980 0.921727102 0.931099578 0.933661913 1.063822933 1.137254503 1.304045125 24 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:-5.2341,-1.1373,1.643;-5.8529,-1.2622,.7381;-4.3105,-.6072,1.3475;-5.792,-.4801,2.3327;-4.9118,-2.4893,2.2772;-4.4604,-3.1484,1.5141;-5.8502,-2.9836,2.5916;-3.958,-2.4195,3.472;-2.996,-1.9758,3.1525;-3.7341,-3.4419,3.8212;-4.5089,-1.6177,4.6607;-5.4894,-2.0387,4.953;-4.6553,-.5608,4.3848;-3.592,-1.7092,5.8485;-1.6821,-.7246,7.1958;-1.0566,-1.4869,6.6975;-1.8648,-1.1238,8.2113;-.9215,.6,7.2742;-1.6126,1.3951,7.6108;-.6022,.8914,6.255;.2972,.605,8.2015;-.037,.4353,9.2434;.7194,1.6255,8.1825;1.4075,-.4022,7.8555;2.3809,.0244,8.1563;1.4612,-.5225,6.7566;1.2669,-1.7721,8.5206;.3328,-2.2842,8.2374;2.1069,-2.4328,8.2436;1.2685,-1.6733,9.621;-3.479,-2.8677,6.411;-3.6571,-2.6573,7.5083;-2.9854,-.5963,6.432;-3.1639,.3596,5.9262;-4.4196,2.9694,9.0776;-5.0465,2.8539,9.9794;-4.722,3.9029,8.5736;-3.3736,3.0906,9.4118;-4.5593,1.7667,8.1479;-5.6061,1.6862,7.8001;-3.9472,1.9347,7.2453;-4.1484,.4607,8.8198;-4.7506,.32,9.7392;-3.0993,.4901,9.1614;-4.3823,-.8043,8.023;-4.0261,-1.9141,8.5311;-5.3101,-.7783,7.4081; -739.260527768109 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000237187430 0.000051885613 0.020478156811 0.005776504013 0.000300000000 0.000200000000 0.001897233765 0.001264822510 -0.098409788 0.000008413 0.000110109 0.000167654 0.000211466 0.000313849 0.000593288 0.000638371 0.001145875 0.001639251 0.001852019 0.002519592 0.002708033 0.003046731 0.003284420 0.004226158 0.004878689 0.005833078 0.006514866 0.008108820 0.009109606 0.010984071 0.011475357 0.013613153 0.016019140 0.017545401 0.019570859 0.021840837 0.025634622 0.029406173 0.031159054 0.032990317 0.034863800 0.036665766 0.039100266 0.040716261 0.041675984 0.046398010 0.047662654 0.048906812 0.049462357 0.050772195 0.052596723 0.053334272 0.054229958 0.055638663 0.056956994 0.060354810 0.065091092 0.066079351 0.067861621 0.069547517 0.071486493 0.074543116 0.076214716 0.077343108 0.077634408 0.080522347 0.082139870 0.086869408 0.092389206 0.096021984 0.098062073 0.100072369 0.104471761 0.108567034 0.112018160 0.113380932 0.115122251 0.116651589 0.121941289 0.129884838 0.133721507 0.135971225 0.140014414 0.142947426 0.148073991 0.152556471 0.154428098 0.162137429 0.168783089 0.176976760 0.178852200 0.187986622 0.197382693 0.199870456 0.205022258 0.217050224 0.222928386 0.230130711 0.255239607 0.280410879 0.300512158 0.316160801 0.354352314 0.373892823 0.394421914 0.420471466 0.471439549 0.522314584 0.553688401 0.585735908 0.608556793 0.613635347 0.628939216 0.702222109 0.745478686 0.749079436 0.767377321 0.771035906 0.777681153 0.780170187 0.784776235 0.792255782 0.794850465 0.797600892 0.809019401 0.825824644 0.826616152 0.828792180 0.833053227 0.851778106 0.854558694 0.876099769 0.879841596 0.902401122 0.904381401 0.908449237 0.919777608 0.921727294 0.931101766 0.933666099 1.063824122 1.137257373 1.304045696 25 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:-5.2468,-1.1415,1.6421;-5.8712,-1.2679,.7414;-4.3242,-.6136,1.3397;-5.7994,-.4815,2.3334;-4.9229,-2.4922,2.2782;-4.4769,-3.154,1.5143;-5.8603,-2.9842,2.5991;-3.9625,-2.4207,3.4675;-3.001,-1.9807,3.1414;-3.7396,-3.4425,3.8191;-4.5052,-1.6133,4.656;-5.4871,-2.0286,4.9522;-4.6474,-.5563,4.3783;-3.5862,-1.7067,5.8422;-1.6774,-.7235,7.1925;-1.0503,-1.4837,6.6929;-1.8613,-1.126,8.2064;-.9183,.6017,7.2763;-1.6117,1.3958,7.6105;-.5942,.8948,6.2591;.2956,.6067,8.2099;-.0439,.4348,9.2498;.7165,1.6278,8.1949;1.4092,-.3982,7.8682;2.3801,.0287,8.1767;1.4703,-.5151,6.7693;1.2661,-1.7704,8.5282;.3349,-2.2831,8.237;2.109,-2.4289,8.2551;1.2598,-1.6748,9.6288;-3.4726,-2.8659,6.4028;-3.6524,-2.6572,7.5006;-2.9798,-.5945,6.4274;-3.1582,.3621,5.9229;-4.4163,2.9666,9.0773;-5.0435,2.85,9.9788;-4.7185,3.9009,8.5745;-3.3705,3.0873,9.4118;-4.556,1.7653,8.1459;-5.6026,1.6855,7.7977;-3.9436,1.9344,7.2437;-4.1454,.4583,8.8161;-4.7486,.316,9.7347;-3.0967,.4873,9.1588;-4.3784,-.8054,8.0169;-4.0225,-1.9159,8.5236;-5.3055,-.7785,7.4012; 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