GRRM 23 January 23, 2023 Saddle wB97XD def2svpp 0 1 1 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,24,5,21,8,18,15,11,33,14,31;35,39,42,45,46/CRV:10.3,11.3;4.3,5.1/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOHC3HCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s45;s45;/rC:-2.7241,-2.4321,3.402;-2.9138,-3.3192,4.0311;-2.2808,-1.656,4.0495;-1.9646,-2.7019,2.6481;-4.0069,-1.9421,2.7359;-4.3466,-2.6941,2.001;-3.7906,-1.0251,2.1554;-5.1636,-1.6638,3.6996;-5.4643,-2.5941,4.2117;-6.0357,-1.3308,3.1112;-4.8718,-.5992,4.7653;-5.8383,-.2301,5.1631;-4.3571,.2709,4.3229;-4.1012,-1.0869,5.9671;-2.1188,-.8012,7.5373;-2.5083,-1.4513,8.3407;-1.6171,.0456,8.036;-1.0961,-1.579,6.7049;-.71,-.9296,5.8973;-1.6132,-2.416,6.2051;.0657,-2.147,7.5236;.7363,-2.6974,6.8373;-.3318,-2.8966,8.2328;.8914,-1.1191,8.3056;1.7144,-1.6522,8.8145;.2775,-.6805,9.1137;1.4739,.0012,7.4462;.6833,.6404,7.0147;2.1376,.6537,8.0392;2.0653,-.4075,6.6068;-4.418,-2.2532,6.4349;-4.5748,-2.0856,7.5211;-3.2583,-.2518,6.7039;-3.0927,.7396,6.2723;-4.3441,2.955,7.301;-3.2417,2.982,7.2328;-4.7138,3.9842,7.1521;-4.7202,2.3471,6.4596;-4.8054,2.4072,8.6506;-4.5148,3.1191,9.4433;-5.9107,2.3725,8.6685;-4.2613,1.029,9.035;-4.6135,.7722,10.0495;-3.1606,1.044,9.0983;-4.7535,-.1147,8.1544;-4.7764,-1.298,8.6182;-5.5881,.1919,7.4805; -739.261843916323 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.002145547196 0.000437131010 0.033590210193 0.008421797272 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111716967 0.000103643 0.000133511 0.000165487 0.000344080 0.000664400 0.000759823 0.000974873 0.001105325 0.001460309 0.001537803 0.001944547 0.003439610 0.003875070 0.004653668 0.005163849 0.005762241 0.006348715 0.006608485 0.007474719 0.008814845 0.010580421 0.011578489 0.014945334 0.015702345 0.019238489 0.021299894 0.022312114 0.028218517 0.030581443 0.032738638 0.033569608 0.035909013 0.038699080 0.040858146 0.043501592 0.044916583 0.045618501 0.048671258 0.050365861 0.051114452 0.051550915 0.052858152 0.053876472 0.054622253 0.055871466 0.057719152 0.058560388 0.059744047 0.061204323 0.066039369 0.069321049 0.071334651 0.072417091 0.075375591 0.076944089 0.078689727 0.081253719 0.083140198 0.090130837 0.090787692 0.091970996 0.094508867 0.102451558 0.104400331 0.106789409 0.110093412 0.112018381 0.113699468 0.115268700 0.117157459 0.121473743 0.131165714 0.136255457 0.139033468 0.143825663 0.147931845 0.156110495 0.164173300 0.166472627 0.170240097 0.176407038 0.177915288 0.181652167 0.190740778 0.204078797 0.207957770 0.215347668 0.222695111 0.232587822 0.265973791 0.287184567 0.300965331 0.310632247 0.356343596 0.368665938 0.397614275 0.411937883 0.468396599 0.508727249 0.524469745 0.570936524 0.617750856 0.624288770 0.645956683 0.697693406 0.743559069 0.755973970 0.763790766 0.772974232 0.775773591 0.778654423 0.788092978 0.794650518 0.795663729 0.804385697 0.808684470 0.818510302 0.826774978 0.841825587 0.847633684 0.853418582 0.856660433 0.870702012 0.885178494 0.893474273 0.899996243 0.901837095 0.918201541 0.920319749 0.928857342 0.940900086 1.043205149 1.106424864 1.281351496 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:-2.7258,-2.4308,3.4039;-2.9159,-3.317,4.034;-2.2813,-1.6548,4.0506;-1.9674,-2.7022,2.6494;-4.0087,-1.9404,2.7381;-4.3472,-2.6916,2.0019;-3.7928,-1.0223,2.1592;-5.167,-1.6649,3.7006;-5.4629,-2.5953,4.2154;-6.0406,-1.3379,3.1106;-4.8822,-.5975,4.765;-5.852,-.24,5.1658;-4.3791,.2786,4.3206;-4.1004,-1.0832,5.9619;-2.11,-.7948,7.5232;-2.5063,-1.4405,8.3268;-1.6076,.0528,8.0206;-1.0842,-1.5828,6.7022;-.6912,-.9411,5.8919;-1.6024,-2.4212,6.2061;.0728,-2.1494,7.5294;.7458,-2.7037,6.8483;-.328,-2.8957,8.2402;.8969,-1.119,8.31;1.7204,-1.6497,8.8208;.2816,-.6794,9.1164;1.4784,.0002,7.4484;.6869,.638,7.0163;2.142,.6543,8.0397;2.0694,-.4094,6.6091;-4.4179,-2.2437,6.4399;-4.5963,-2.0552,7.5369;-3.2423,-.2478,6.6803;-3.0702,.7386,6.2387;-4.3442,2.9482,7.3065;-3.2417,2.9712,7.2402;-4.7109,3.9777,7.1538;-4.7202,2.338,6.4669;-4.8087,2.4064,8.6571;-4.5119,3.116,9.4495;-5.9143,2.3797,8.6763;-4.2738,1.0245,9.0391;-4.6262,.7667,10.0535;-3.1731,1.0279,9.1005;-4.7675,-.1082,8.1522;-4.784,-1.2949,8.6064;-5.5957,.195,7.471; -739.262117773915 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001250073936 0.000262941513 0.030519525802 0.008422763334 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111632684 0.000105953 0.000133130 0.000160424 0.000349213 0.000652600 0.000764990 0.000974933 0.001100277 0.001478182 0.001538000 0.001944308 0.003438470 0.003875060 0.004679554 0.005163952 0.005765002 0.006358718 0.006590625 0.007516703 0.008805339 0.010563496 0.011629946 0.014948059 0.015700184 0.019250127 0.021298275 0.022563730 0.028218015 0.030580321 0.032736612 0.033572051 0.035901982 0.038679662 0.040853510 0.043502672 0.044917667 0.045620421 0.048671674 0.050366036 0.051112939 0.051551618 0.052857932 0.053875238 0.054622343 0.055873769 0.057719156 0.058562264 0.059744195 0.061204155 0.066042694 0.069326215 0.071339961 0.072417470 0.075376135 0.076946632 0.078689547 0.081263139 0.083141441 0.090130432 0.090789549 0.091986006 0.094521285 0.102457545 0.104400506 0.106789974 0.110098640 0.112027293 0.113700707 0.115268882 0.117177092 0.121475690 0.131165718 0.136255488 0.139033549 0.143825864 0.147932714 0.156113528 0.164173171 0.166472428 0.170240760 0.176407335 0.177914992 0.181653944 0.190756508 0.204079852 0.207958253 0.215350520 0.222704893 0.232587866 0.266024035 0.287183820 0.300982864 0.310641380 0.356430680 0.368721389 0.397623468 0.411989947 0.468396286 0.508728603 0.524469513 0.570940434 0.617750900 0.624289775 0.645958817 0.697698244 0.743559217 0.755976458 0.763790973 0.772974231 0.775773824 0.778654417 0.788092973 0.794650536 0.795664606 0.804385705 0.808684995 0.818510503 0.826774996 0.841825495 0.847633803 0.853419118 0.856661067 0.870702660 0.885183152 0.893474155 0.899996246 0.901840630 0.918201529 0.920321015 0.928860918 0.940905279 1.043314378 1.106437848 1.281351293 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:-2.729,-2.4255,3.4036;-2.918,-3.3122,4.0335;-2.2862,-1.6492,4.051;-1.9698,-2.6955,2.6494;-4.0126,-1.9374,2.7374;-4.3468,-2.6873,1.9978;-3.7993,-1.0163,2.1622;-5.1738,-1.6705,3.6987;-5.4631,-2.6032,4.2131;-6.0494,-1.3492,3.1085;-4.8972,-.6027,4.7648;-5.8702,-.2614,5.1726;-4.4096,.2825,4.3205;-4.1023,-1.0858,5.955;-2.1048,-.7865,7.5089;-2.502,-1.4249,8.3178;-1.603,.0663,7.9984;-1.0757,-1.5838,6.6997;-.6749,-.9503,5.8865;-1.5925,-2.4253,6.2074;.0747,-2.1468,7.5396;.7506,-2.7093,6.8678;-.3328,-2.8861,8.2542;.898,-1.1135,8.3175;1.7171,-1.6433,8.8364;.28,-.6662,9.1177;1.4881,-.0021,7.4514;.7012,.6354,7.0109;2.1509,.6535,8.0419;2.0821,-.4194,6.618;-4.4142,-2.245,6.4361;-4.6027,-2.049,7.54;-3.2381,-.2471,6.6626;-3.0666,.7359,6.2122;-4.3378,2.9456,7.3133;-3.2351,2.9594,7.247;-4.6967,3.9778,7.1604;-4.7186,2.3375,6.4743;-4.8055,2.4067,8.6636;-4.5019,3.1119,9.4574;-5.9113,2.3887,8.6845;-4.2804,1.02,9.0404;-4.6399,.7572,10.0511;-3.18,1.0152,9.1075;-4.7727,-.1049,8.145;-4.7879,-1.2935,8.5964;-5.598,.1991,7.4614; -739.262194589872 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000474611834 0.000104773590 0.026823384740 0.008420511673 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111581771 0.000111936 0.000132110 0.000161425 0.000397180 0.000667315 0.000781111 0.000974863 0.001098941 0.001499409 0.001538391 0.001953295 0.003437597 0.003911969 0.004695889 0.005164018 0.005767071 0.006349940 0.006593205 0.007515085 0.008803194 0.010549001 0.011630541 0.014948051 0.015695365 0.019230606 0.021291596 0.022553982 0.028217069 0.030580159 0.032736322 0.033572069 0.035901537 0.038680152 0.040856355 0.043503140 0.044918026 0.045621102 0.048672905 0.050366024 0.051113290 0.051552448 0.052858284 0.053875302 0.054622177 0.055874212 0.057719008 0.058562669 0.059744410 0.061204145 0.066045981 0.069327754 0.071341394 0.072417410 0.075376073 0.076946576 0.078689585 0.081266780 0.083141841 0.090130265 0.090790521 0.091990842 0.094525427 0.102459210 0.104401174 0.106790205 0.110105087 0.112032851 0.113701801 0.115268934 0.117188316 0.121479846 0.131167162 0.136255795 0.139034005 0.143825586 0.147933596 0.156122519 0.164174276 0.166472448 0.170240590 0.176408849 0.177914560 0.181658101 0.190758406 0.204079885 0.207958769 0.215356036 0.222703445 0.232595057 0.266022955 0.287191466 0.300982027 0.310641066 0.356431062 0.368719480 0.397623693 0.411989373 0.468398394 0.508732007 0.524469916 0.570940886 0.617751351 0.624290219 0.645962198 0.697701118 0.743559296 0.755978254 0.763805900 0.772974518 0.775774242 0.778654469 0.788093617 0.794650541 0.795664713 0.804387341 0.808684995 0.818512134 0.826779073 0.841831643 0.847633810 0.853419144 0.856661269 0.870703585 0.885183646 0.893475934 0.899997098 0.901847631 0.918201493 0.920322315 0.928861114 0.940918483 1.043314529 1.106446437 1.281355676 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:-2.7275,-2.4152,3.3984;-2.9098,-3.3052,4.0256;-2.2902,-1.6377,4.0482;-1.9668,-2.6772,2.6429;-4.0153,-1.9345,2.7346;-4.3435,-2.684,1.9919;-3.8098,-1.0091,2.1634;-5.1782,-1.6814,3.6976;-5.4578,-2.6184,4.2099;-6.0577,-1.3674,3.1091;-4.9114,-.6134,4.7661;-5.8874,-.2861,5.1779;-4.4364,.2789,4.3226;-4.1063,-1.0909,5.952;-2.1051,-.7785,7.4997;-2.5006,-1.4113,8.3141;-1.6044,.079,7.982;-1.0743,-1.5813,6.6985;-.6686,-.9528,5.8842;-1.5903,-2.4245,6.2082;.0705,-2.1421,7.5478;.7481,-2.7112,6.8835;-.3434,-2.8751,8.2651;.8931,-1.1066,8.3234;1.7049,-1.6367,8.8538;.2712,-.6488,9.1148;1.4972,-.0063,7.4526;.7178,.6311,6.9983;2.1577,.6515,8.0433;2.0972,-.4346,6.629;-4.4109,-2.2504,6.4375;-4.6029,-2.0486,7.5429;-3.24,-.2476,6.6506;-3.0746,.7348,6.1971;-4.3246,2.9462,7.3184;-3.2218,2.9501,7.253;-4.6741,3.9822,7.1693;-4.7103,2.3447,6.4769;-4.7982,2.4063,8.6662;-4.4914,3.107,9.4627;-5.904,2.3951,8.6853;-4.282,1.0156,9.0404;-4.6452,.7529,10.0501;-3.1817,1.004,9.1102;-4.7775,-.106,8.1438;-4.7894,-1.2952,8.5927;-5.6019,.1981,7.4597; -739.262219422482 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000348479631 0.000092772326 0.027060045456 0.008426783637 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111606941 0.000110731 0.000133280 0.000153527 0.000371579 0.000667826 0.000762047 0.000974822 0.001105557 0.001496068 0.001539725 0.001948738 0.003437548 0.003918798 0.004693176 0.005164033 0.005768110 0.006352185 0.006593237 0.007514557 0.008802934 0.010552047 0.011631194 0.014948059 0.015697301 0.019240083 0.021293032 0.022566615 0.028216656 0.030580365 0.032736310 0.033572225 0.035901843 0.038680031 0.040855982 0.043502967 0.044918240 0.045621589 0.048674918 0.050366009 0.051113707 0.051552730 0.052858003 0.053875277 0.054622116 0.055873426 0.057718985 0.058565520 0.059744475 0.061204157 0.066048185 0.069327462 0.071342140 0.072417360 0.075376064 0.076946304 0.078688411 0.081266640 0.083141793 0.090130514 0.090791075 0.091991512 0.094525844 0.102459420 0.104401881 0.106789965 0.110105950 0.112037839 0.113701774 0.115268995 0.117192033 0.121483007 0.131166706 0.136255838 0.139034214 0.143825518 0.147935016 0.156121423 0.164173651 0.166472469 0.170240342 0.176408944 0.177914227 0.181656864 0.190757928 0.204079440 0.207958628 0.215354155 0.222703675 0.232589733 0.266022196 0.287190356 0.300982573 0.310640818 0.356429558 0.368721082 0.397623817 0.411989496 0.468398000 0.508731648 0.524469847 0.570940732 0.617751177 0.624290643 0.645961714 0.697700642 0.743559333 0.755978257 0.763803785 0.772974265 0.775774097 0.778654438 0.788093469 0.794650508 0.795664735 0.804387130 0.808684965 0.818512160 0.826778958 0.841831068 0.847633785 0.853419058 0.856661002 0.870703558 0.885183331 0.893475808 0.899997030 0.901847572 0.918201435 0.920321871 0.928860938 0.940918771 1.043313890 1.106446316 1.281355137 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:-2.7204,-2.3993,3.3934;-2.8919,-3.2936,4.0177;-2.2914,-1.6191,4.0455;-1.9574,-2.6501,2.6362;-4.0145,-1.9313,2.7325;-4.3348,-2.682,1.9876;-3.8204,-1.0015,2.1642;-5.1792,-1.6949,3.6976;-5.4465,-2.6366,4.2082;-6.0634,-1.3905,3.1112;-4.924,-.6261,4.7684;-5.9036,-.313,5.1828;-4.4616,.2735,4.3261;-4.1116,-1.0964,5.9518;-2.1075,-.7707,7.4937;-2.4996,-1.3973,8.3145;-1.6059,.0915,7.9669;-1.0776,-1.5798,6.6976;-.668,-.9563,5.8812;-1.5946,-2.424,6.2102;.0631,-2.1396,7.5529;.741,-2.7145,6.894;-.3555,-2.8675,8.2728;.8868,-1.103,8.3259;1.6933,-1.6334,8.8638;.2633,-.6372,9.1111;1.5007,-.0115,7.4512;.7268,.626,6.9881;2.1607,.6476,8.0412;2.1036,-.4481,6.6343;-4.4092,-2.2559,6.441;-4.6015,-2.0512,7.5461;-3.2468,-.2474,6.6456;-3.0864,.7339,6.1879;-4.31,2.9469,7.3215;-3.207,2.9416,7.2578;-4.6505,3.9862,7.1744;-4.6995,2.3506,6.4781;-4.7901,2.4075,8.6671;-4.4817,3.1053,9.4655;-5.8961,2.4024,8.6834;-4.2823,1.0139,9.0411;-4.65,.7521,10.0494;-3.1824,.9963,9.1149;-4.7791,-.1063,8.1436;-4.7894,-1.2955,8.5933;-5.6054,.198,7.4619; -739.262231183830 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000366456011 0.000080592657 0.035584956107 0.008416364893 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111604002 0.000109269 0.000134872 0.000154452 0.000371682 0.000665684 0.000761850 0.000974828 0.001104785 0.001498657 0.001541418 0.001949072 0.003438081 0.003918932 0.004693426 0.005164052 0.005768391 0.006352761 0.006593520 0.007514307 0.008803315 0.010551880 0.011630714 0.014948078 0.015697165 0.019242275 0.021294041 0.022571124 0.028216303 0.030580400 0.032736310 0.033572202 0.035901855 0.038680030 0.040855716 0.043502855 0.044918230 0.045621747 0.048675180 0.050366015 0.051113770 0.051553285 0.052857869 0.053875316 0.054621987 0.055872915 0.057718092 0.058564024 0.059743960 0.061204056 0.066050339 0.069327068 0.071342085 0.072417117 0.075376216 0.076946195 0.078687522 0.081266201 0.083142007 0.090130198 0.090790919 0.091992815 0.094526508 0.102459671 0.104401791 0.106789877 0.110106472 0.112038882 0.113701795 0.115269059 0.117192742 0.121483989 0.131166476 0.136255706 0.139034301 0.143825431 0.147934892 0.156121225 0.164173258 0.166472532 0.170240497 0.176409497 0.177913300 0.181655300 0.190757507 0.204078596 0.207958877 0.215353532 0.222700393 0.232584660 0.266020892 0.287192002 0.300982028 0.310640329 0.356429182 0.368720266 0.397623533 0.411989281 0.468397901 0.508731562 0.524469884 0.570941227 0.617751122 0.624290418 0.645961847 0.697700930 0.743559338 0.755978583 0.763804565 0.772974060 0.775774119 0.778654572 0.788093381 0.794650453 0.795664764 0.804387055 0.808684924 0.818512188 0.826778988 0.841830952 0.847633956 0.853418917 0.856660609 0.870703589 0.885183252 0.893475775 0.899996925 0.901847916 0.918201731 0.920321589 0.928860892 0.940919423 1.043313531 1.106446581 1.281354665 6 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-2.7094,-2.3774,3.391;-2.8683,-3.2767,4.0118;-2.2915,-1.5938,4.0463;-1.9429,-2.6145,2.6329;-4.0102,-1.9251,2.7322;-4.3207,-2.6778,1.9851;-3.8293,-.9908,2.1669;-5.1773,-1.7077,3.6991;-5.4315,-2.6545,4.207;-6.0662,-1.4137,3.1144;-4.9357,-.6385,4.7729;-5.9192,-.3394,5.1883;-4.4845,.2678,4.3329;-4.1173,-1.1025,5.9547;-2.1112,-.7683,7.4917;-2.5016,-1.3906,8.3166;-1.6088,.0962,7.9595;-1.0826,-1.5817,6.6986;-.6716,-.9617,5.8804;-1.6009,-2.4267,6.2139;.0565,-2.1404,7.5567;.7332,-2.72,6.9008;-.3642,-2.8638,8.2797;.8824,-1.1021,8.3253;1.6857,-1.6322,8.868;.259,-.6294,9.1064;1.502,-.0182,7.4452;.7315,.6187,6.9758;2.1625,.6426,8.0327;2.1057,-.4621,6.6329;-4.4101,-2.2613,6.4484;-4.604,-2.0516,7.5531;-3.2522,-.2495,6.6431;-3.0947,.7307,6.1824;-4.2993,2.9476,7.3207;-3.1965,2.9358,7.258;-4.6335,3.989,7.1745;-4.6917,2.3545,6.4765;-4.7839,2.4099,8.6655;-4.4739,3.1064,9.4644;-5.8898,2.4094,8.68;-4.2821,1.0146,9.0406;-4.6518,.7554,10.0488;-3.1824,.9925,9.1156;-4.7825,-.1053,8.1447;-4.7931,-1.2939,8.5957;-5.6094,.1994,7.4638; -739.262235616271 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000427415226 0.000094434140 0.014705076195 0.003412867797 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111606954 0.000102381 0.000135623 0.000153333 0.000370982 0.000664621 0.000762741 0.000975052 0.001107184 0.001498620 0.001542306 0.001949578 0.003438233 0.003918936 0.004693433 0.005164252 0.005768650 0.006353227 0.006593792 0.007516505 0.008802859 0.010551868 0.011630444 0.014948011 0.015697279 0.019243377 0.021293674 0.022572601 0.028216222 0.030580421 0.032736295 0.033572264 0.035901858 0.038680824 0.040855667 0.043502787 0.044918290 0.045621823 0.048675254 0.050365993 0.051113825 0.051553212 0.052857783 0.053875121 0.054621835 0.055870362 0.057717343 0.058563486 0.059743627 0.061203661 0.066051028 0.069326582 0.071342114 0.072416855 0.075376096 0.076946328 0.078686925 0.081266156 0.083142054 0.090129904 0.090790820 0.091993401 0.094526418 0.102460055 0.104401725 0.106789572 0.110107349 0.112039489 0.113701828 0.115268920 0.117193143 0.121484432 0.131166305 0.136255481 0.139034171 0.143825255 0.147935216 0.156121191 0.164172929 0.166472661 0.170240059 0.176409092 0.177912215 0.181653441 0.190756656 0.204078102 0.207957825 0.215345692 0.222699322 0.232581547 0.266021218 0.287189339 0.300981731 0.310640134 0.356429391 0.368720685 0.397623631 0.411989933 0.468397787 0.508731524 0.524469915 0.570940754 0.617751036 0.624290344 0.645961700 0.697700301 0.743559357 0.755978496 0.763802479 0.772973880 0.775773788 0.778654552 0.788093320 0.794650412 0.795664839 0.804387076 0.808684845 0.818512116 0.826779056 0.841830868 0.847633944 0.853418549 0.856660265 0.870703580 0.885183079 0.893475769 0.899996886 0.901848204 0.918201765 0.920321338 0.928860314 0.940919517 1.043314133 1.106448160 1.281355104 7 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-2.7046,-2.3683,3.3897;-2.8586,-3.2697,4.0084;-2.2906,-1.5843,4.0467;-1.9373,-2.5998,2.6308;-4.0076,-1.9213,2.7322;-4.3147,-2.674,1.9839;-3.8316,-.9853,2.1685;-5.1751,-1.7114,3.6999;-5.4243,-2.66,4.2065;-6.0656,-1.4211,3.1159;-4.9386,-.6426,4.7752;-5.9232,-.3485,5.1906;-4.4911,.2659,4.3364;-4.119,-1.1046,5.9568;-2.1121,-.7672,7.492;-2.5019,-1.3869,8.3193;-1.6086,.0986,7.9565;-1.0851,-1.5839,6.7001;-.6737,-.9664,5.8801;-1.6047,-2.4294,6.2178;.0539,-2.1419,7.559;.7293,-2.7242,6.9042;-.3673,-2.8627,8.2843;.8818,-1.1027,8.3241;1.6847,-1.6324,8.8678;.2596,-.6268,9.1042;1.5025,-.0222,7.4406;.7326,.6145,6.9699;2.1644,.6393,8.0257;2.1049,-.4694,6.6291;-4.4104,-2.2631,6.4518;-4.6043,-2.0525,7.556;-3.2542,-.2502,6.6438;-3.0977,.7294,6.1815;-4.2979,2.9476,7.3194;-3.1951,2.934,7.2569;-4.6302,3.9895,7.1727;-4.6911,2.3549,6.4754;-4.7836,2.4112,8.6642;-4.4735,3.108,9.4628;-5.8895,2.4116,8.6782;-4.2832,1.0158,9.0408;-4.6537,.7579,10.0491;-3.1835,.9928,9.1167;-4.7836,-.1048,8.146;-4.7935,-1.293,8.5985;-5.611,.1989,7.4654; -739.262236652455 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000150393894 0.000031510961 0.021832066331 0.004902320045 0.000300000000 0.000200000000 0.002992142760 0.001994761840 -0.111608001 0.000025300 0.000137633 0.000165123 0.000394556 0.000666020 0.000763547 0.000978600 0.001104897 0.001503444 0.001547686 0.001950941 0.003438351 0.003920163 0.004693474 0.005164802 0.005769224 0.006353350 0.006593502 0.007520866 0.008802860 0.010552211 0.011631466 0.014947993 0.015696974 0.019248012 0.021293233 0.022575672 0.028217733 0.030580393 0.032736344 0.033572446 0.035901946 0.038683003 0.040855713 0.043502835 0.044918295 0.045622062 0.048675734 0.050365925 0.051113797 0.051553185 0.052857771 0.053873021 0.054621378 0.055864210 0.057716103 0.058561828 0.059742935 0.061200967 0.066051521 0.069326210 0.071342416 0.072416792 0.075376038 0.076942434 0.078685991 0.081267059 0.083141957 0.090130240 0.090790766 0.091994478 0.094526509 0.102461226 0.104402233 0.106789395 0.110109126 0.112041916 0.113702025 0.115268024 0.117195565 0.121488024 0.131166229 0.136255444 0.139034270 0.143825285 0.147936831 0.156121314 0.164172786 0.166473194 0.170239189 0.176407740 0.177912053 0.181651990 0.190756368 0.204077576 0.207955954 0.215316933 0.222699434 0.232581117 0.266018273 0.287181776 0.300980641 0.310640702 0.356432342 0.368720533 0.397623748 0.411991355 0.468397817 0.508731432 0.524469932 0.570939273 0.617750992 0.624290302 0.645961436 0.697699906 0.743559369 0.755977439 0.763798925 0.772973464 0.775773493 0.778654482 0.788093339 0.794650269 0.795663494 0.804387001 0.808684779 0.818511893 0.826779112 0.841830647 0.847633920 0.853417967 0.856659993 0.870703429 0.885182800 0.893475420 0.899996681 0.901848018 0.918201746 0.920320862 0.928858778 0.940919225 1.043315230 1.106449996 1.281355183 8 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-2.6989,-2.3548,3.3882;-2.846,-3.2597,4.0037;-2.2905,-1.57,4.0478;-1.9302,-2.578,2.6282;-4.0057,-1.9151,2.7331;-4.3079,-2.6677,1.9826;-3.8368,-.9759,2.1722;-5.1738,-1.7167,3.7025;-5.4152,-2.6686,4.2071;-6.0673,-1.432,3.1201;-4.9447,-.6485,4.7802;-5.9318,-.3628,5.1965;-4.5039,.2645,4.3432;-4.1217,-1.1078,5.9605;-2.1126,-.769,7.4921;-2.5019,-1.3883,8.3196;-1.6088,.0966,7.9562;-1.0861,-1.5859,6.7;-.6743,-.9684,5.8805;-1.6064,-2.4306,6.2173;.0525,-2.1451,7.5585;.7276,-2.7273,6.9033;-.3692,-2.8662,8.283;.8811,-1.1072,8.3244;1.6836,-1.6377,8.8678;.2591,-.6316,9.1046;1.5025,-.0267,7.4418;.733,.6107,6.9714;2.1649,.6338,8.0273;2.1046,-.4737,6.6302;-4.4121,-2.2654,6.4586;-4.6051,-2.0516,7.5629;-3.255,-.2525,6.6441;-3.0985,.7263,6.1801;-4.2998,2.9473,7.3129;-3.1972,2.9345,7.2482;-4.6333,3.9884,7.1642;-4.6941,2.3521,6.4711;-4.7823,2.4141,8.66;-4.4708,3.113,9.4563;-5.8882,2.4141,8.6764;-4.2804,1.0198,9.0387;-4.6484,.7643,10.0485;-3.1807,.9975,9.1118;-4.7829,-.1029,8.1475;-4.793,-1.29,8.6027;-5.6109,.1999,7.4673; -739.262236305917 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000445371993 0.000092698132 0.027953857616 0.007073867602 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111607337 0.000013336 0.000152670 0.000171215 0.000403058 0.000668977 0.000763816 0.000989169 0.001105280 0.001505876 0.001552256 0.001953671 0.003438627 0.003924493 0.004693634 0.005165432 0.005769527 0.006353446 0.006593834 0.007525609 0.008803077 0.010555308 0.011632900 0.014948276 0.015697154 0.019249427 0.021293105 0.022575943 0.028220032 0.030580660 0.032736363 0.033572412 0.035902151 0.038683278 0.040855887 0.043502939 0.044918257 0.045622190 0.048675966 0.050365978 0.051113752 0.051553363 0.052857739 0.053872370 0.054621469 0.055862858 0.057718393 0.058560952 0.059743025 0.061200609 0.066051453 0.069325923 0.071342280 0.072416758 0.075377140 0.076942162 0.078687569 0.081267400 0.083142145 0.090130129 0.090790727 0.091994388 0.094526432 0.102461620 0.104402416 0.106789266 0.110109673 0.112042329 0.113702302 0.115267961 0.117195640 0.121488757 0.131166114 0.136255576 0.139034835 0.143825593 0.147937077 0.156121267 0.164175114 0.166473872 0.170238974 0.176407547 0.177916173 0.181653087 0.190757118 0.204081408 0.207957456 0.215314126 0.222703746 0.232592887 0.266022759 0.287183871 0.300982130 0.310641151 0.356446377 0.368720765 0.397626433 0.411992181 0.468399731 0.508731620 0.524470076 0.570939407 0.617751099 0.624290402 0.645961487 0.697700078 0.743559407 0.755977340 0.763811550 0.772975609 0.775774238 0.778654461 0.788093365 0.794651062 0.795663849 0.804387024 0.808684821 0.818512492 0.826779168 0.841830884 0.847634430 0.853417780 0.856662695 0.870703438 0.885183636 0.893475419 0.899996527 0.901848041 0.918202541 0.920322977 0.928859198 0.940919189 1.043332348 1.106451257 1.281360004 9 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-2.6904,-2.3372,3.385;-2.8283,-3.2461,3.9966;-2.2883,-1.5518,4.0476;-1.9208,-2.55,2.6231;-4.0019,-1.9068,2.7333;-4.299,-2.6597,1.9811;-3.842,-.9649,2.1748;-5.1699,-1.7207,3.7049;-5.4028,-2.6755,4.2075;-6.0663,-1.442,3.1246;-4.9474,-.6534,4.7847;-5.9351,-.3733,5.2006;-4.5108,.2615,4.3495;-4.1229,-1.1098,5.9648;-2.1124,-.765,7.4932;-2.5004,-1.378,8.3266;-1.6054,.1034,7.9494;-1.0897,-1.5902,6.7039;-.6761,-.9786,5.8805;-1.6136,-2.4358,6.2262;.0473,-2.1495,7.5647;.7191,-2.7394,6.9124;-.3772,-2.8641,8.2947;.8814,-1.1102,8.323;1.681,-1.6414,8.8705;.2618,-.6249,9.0999;1.509,-.0394,7.4319;.7431,.599,6.9562;2.1746,.6223,8.0126;2.1093,-.4961,6.6236;-4.4106,-2.2671,6.4645;-4.6026,-2.0522,7.5686;-3.2569,-.2522,6.6455;-3.1032,.7262,6.1797;-4.3076,2.9464,7.3082;-3.2051,2.9349,7.2411;-4.6428,3.9868,7.1578;-4.7031,2.3488,6.4686;-4.7864,2.4155,8.6576;-4.4743,3.1166,9.4516;-5.8922,2.4138,8.6763;-4.2818,1.0228,9.0388;-4.6481,.7687,10.0495;-3.1819,1.0023,9.1107;-4.7833,-.1025,8.1505;-4.7902,-1.2889,8.6081;-5.6131,.1969,7.4709; -739.262233773431 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000592158392 0.000147053532 0.035397356980 0.008437437674 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111609792 -0.000035996 0.000153871 0.000176501 0.000424294 0.000677231 0.000764310 0.001015296 0.001114790 0.001507419 0.001557020 0.001970658 0.003442403 0.003935162 0.004694936 0.005168306 0.005770070 0.006355011 0.006595955 0.007540227 0.008806458 0.010565191 0.011638054 0.014949141 0.015697542 0.019251926 0.021293066 0.022575824 0.028226947 0.030581357 0.032736542 0.033572396 0.035902509 0.038684425 0.040855929 0.043503290 0.044918289 0.045622203 0.048676305 0.050366114 0.051114138 0.051553438 0.052857749 0.053872177 0.054621066 0.055861946 0.057729334 0.058561526 0.059743936 0.061201405 0.066051554 0.069325695 0.071342106 0.072416543 0.075378202 0.076942859 0.078691558 0.081269618 0.083142196 0.090129866 0.090790876 0.091994299 0.094526758 0.102462332 0.104402685 0.106789130 0.110112037 0.112042244 0.113703064 0.115268614 0.117195969 0.121492711 0.131166130 0.136256255 0.139034880 0.143825957 0.147938797 0.156123132 0.164185756 0.166476615 0.170240293 0.176407455 0.177920849 0.181663275 0.190762778 0.204093576 0.207988573 0.215310412 0.222717393 0.232652718 0.266022590 0.287198736 0.300984382 0.310650730 0.356496993 0.368722642 0.397626402 0.411992289 0.468406030 0.508732382 0.524470830 0.570939935 0.617754064 0.624290622 0.645965263 0.697709094 0.743560144 0.755978312 0.763840170 0.772987805 0.775775188 0.778654451 0.788093531 0.794651103 0.795663773 0.804387047 0.808685427 0.818515617 0.826780921 0.841832780 0.847635557 0.853417528 0.856691269 0.870705277 0.885183251 0.893475434 0.899997416 0.901847880 0.918203129 0.920331321 0.928858807 0.940920938 1.043360751 1.106458545 1.281384316 10 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-2.7015,-2.3596,3.3879;-2.8504,-3.2632,4.0045;-2.2909,-1.575,4.0464;-1.9336,-2.5854,2.6279;-4.0073,-1.9176,2.7324;-4.3116,-2.6705,1.9832;-3.8362,-.9799,2.1701;-5.1745,-1.7146,3.7016;-5.4187,-2.665,4.2072;-6.0669,-1.4278,3.119;-4.9416,-.6463,4.7781;-5.9269,-.3559,5.1937;-4.4971,.2638,4.3402;-4.1205,-1.1067,5.9592;-2.1123,-.7678,7.492;-2.5016,-1.3867,8.3201;-1.6084,.0984,7.9553;-1.0857,-1.5852,6.7002;-.6739,-.9682,5.8801;-1.6058,-2.4305,6.218;.0529,-2.1437,7.5593;.7282,-2.7264,6.9047;-.3689,-2.8644,8.2845;.8811,-1.105,8.3246;1.6833,-1.6351,8.869;.2586,-.6284,9.1043;1.503,-.0251,7.4412;.7338,.6119,6.9695;2.1647,.6363,8.0266;2.106,-.4729,6.6304;-4.4112,-2.2647,6.4559;-4.6044,-2.0524,7.56;-3.2549,-.2516,6.6439;-3.0988,.7275,6.1805;-4.2988,2.9471,7.3155;-3.1961,2.9334,7.2516;-4.6314,3.9888,7.1676;-4.6931,2.3531,6.4728;-4.7828,2.4128,8.6617;-4.4717,3.1108,9.4589;-5.8887,2.4132,8.6771;-4.2818,1.0179,9.0399;-4.6512,.7616,10.049;-3.1821,.9951,9.1145;-4.7833,-.104,8.1472;-4.7929,-1.2916,8.6013;-5.6113,.1988,7.4669; -739.262236755936 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000232632029 0.000050354181 0.025450028014 0.008402841690 0.000300000000 0.000200000000 0.001934385398 0.001289590265 -0.111616251 -0.000005011 0.000083116 0.000164936 0.000420011 0.000669268 0.000769183 0.001029985 0.001174257 0.001508126 0.001568640 0.002018691 0.003451948 0.003970584 0.004701619 0.005176355 0.005772851 0.006358156 0.006608518 0.007599881 0.008821262 0.010602443 0.011652470 0.014957980 0.015699563 0.019260964 0.021294458 0.022576481 0.028247470 0.030582760 0.032736620 0.033572107 0.035903197 0.038685198 0.040856045 0.043503850 0.044918215 0.045622538 0.048678226 0.050366047 0.051115949 0.051554284 0.052857890 0.053873786 0.054621178 0.055868606 0.057736100 0.058561950 0.059744585 0.061200230 0.066052243 0.069326517 0.071343183 0.072417413 0.075376848 0.076944454 0.078697323 0.081276812 0.083141576 0.090130992 0.090790795 0.091995118 0.094527497 0.102463369 0.104403123 0.106789459 0.110115766 0.112045045 0.113705322 0.115268930 0.117197372 0.121498630 0.131167375 0.136259342 0.139036239 0.143826054 0.147952337 0.156148993 0.164194961 0.166478287 0.170244880 0.176414386 0.177935683 0.181703426 0.190777076 0.204118754 0.208033525 0.215338891 0.222739150 0.232697200 0.266044995 0.287231629 0.300992396 0.310661885 0.356668657 0.368729436 0.397632968 0.411994368 0.468415869 0.508736091 0.524471062 0.570944569 0.617760463 0.624293636 0.646008582 0.697766439 0.743560902 0.755982803 0.763976905 0.772995678 0.775777624 0.778654898 0.788093776 0.794652492 0.795664596 0.804388314 0.808686514 0.818520537 0.826782394 0.841835480 0.847636913 0.853420777 0.856726989 0.870710032 0.885184813 0.893475489 0.900007623 0.901848330 0.918206590 0.920336984 0.928860804 0.940922822 1.043390712 1.106469113 1.281401241 11 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-2.7026,-2.3744,3.3924;-2.8633,-3.2762,4.0083;-2.2858,-1.5945,4.0524;-1.935,-2.6084,2.6347;-4.0011,-1.9184,2.7329;-4.3106,-2.6677,1.9819;-3.8186,-.9822,2.1718;-5.1698,-1.7046,3.6982;-5.4227,-2.6526,4.2041;-6.0582,-1.4118,3.1124;-4.9336,-.6363,4.7744;-5.9198,-.3439,5.19;-4.487,.2741,4.3366;-4.1143,-1.0993,5.9562;-2.1101,-.7625,7.4954;-2.5011,-1.3778,8.3253;-1.6035,.1034,7.9561;-1.0868,-1.5864,6.7059;-.6747,-.9743,5.8822;-1.6103,-2.4324,6.2287;.0516,-2.1444,7.5652;.7218,-2.7352,6.9123;-.3712,-2.858,8.2971;.8879,-1.1041,8.3198;1.6897,-1.6343,8.8645;.271,-.6189,9.0986;1.5115,-.0336,7.4258;.7436,.605,6.9546;2.1806,.6277,8.003;2.1069,-.4903,6.6144;-4.4053,-2.2588,6.4493;-4.6001,-2.0499,7.5543;-3.2512,-.2452,6.6457;-3.0954,.7356,6.1858;-4.3159,2.9498,7.3225;-3.2133,2.9453,7.2594;-4.6569,3.9887,7.1761;-4.7045,2.354,6.4785;-4.7962,2.4095,8.6675;-4.4894,3.1073,9.4664;-5.9019,2.4028,8.683;-4.2866,1.0169,9.0414;-4.6531,.7555,10.0502;-3.1869,1.0004,9.1141;-4.7833,-.1045,8.1453;-4.7913,-1.2932,8.5966;-5.6105,.1977,7.4639; -739.262232154553 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000944482651 0.000190364617 0.034248637100 0.008402183156 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111616002 -0.000112539 0.000128165 0.000165336 0.000426722 0.000680265 0.000773793 0.001030265 0.001184749 0.001509059 0.001569953 0.002026823 0.003460905 0.003978712 0.004704814 0.005177486 0.005773455 0.006358411 0.006622757 0.007619661 0.008827768 0.010616630 0.011655885 0.014970166 0.015702281 0.019264865 0.021295919 0.022576951 0.028251418 0.030582952 0.032736654 0.033572666 0.035903249 0.038685134 0.040856224 0.043503803 0.044918232 0.045623126 0.048680056 0.050366884 0.051117327 0.051557158 0.052858137 0.053874037 0.054621002 0.055870897 0.057738116 0.058566749 0.059745490 0.061202964 0.066052447 0.069326973 0.071345943 0.072419295 0.075377153 0.076944585 0.078696692 0.081277632 0.083141560 0.090131208 0.090791143 0.091996268 0.094527817 0.102463472 0.104403428 0.106790068 0.110116185 0.112048311 0.113705751 0.115269323 0.117198133 0.121499242 0.131169903 0.136260794 0.139038206 0.143826820 0.147960315 0.156178310 0.164194641 0.166478654 0.170248014 0.176422482 0.177939844 0.181711664 0.190777919 0.204122595 0.208033165 0.215347136 0.222744291 0.232712784 0.266058729 0.287232416 0.300996227 0.310662492 0.356746888 0.368730252 0.397640788 0.411995526 0.468416857 0.508738593 0.524471445 0.570950874 0.617761579 0.624300291 0.646039428 0.697793457 0.743561164 0.755984044 0.764032171 0.772998617 0.775778238 0.778654901 0.788094964 0.794654316 0.795665933 0.804389695 0.808686586 0.818520877 0.826782457 0.841838958 0.847637504 0.853423672 0.856727103 0.870712414 0.885186148 0.893476101 0.900011455 0.901849245 0.918214742 0.920337792 0.928865668 0.940924606 1.043395324 1.106472053 1.281401027 12 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-2.6902,-2.3523,3.3929;-2.8405,-3.2589,4.0049;-2.2821,-1.5706,4.0563;-1.9198,-2.5742,2.6345;-3.9943,-1.908,2.7353;-4.2963,-2.6583,1.9825;-3.8216,-.9683,2.1769;-5.1644,-1.7083,3.7017;-5.4087,-2.6597,4.2051;-6.0555,-1.4217,3.1171;-4.9351,-.6413,4.7799;-5.9205,-.3499,5.1922;-4.4885,.2678,4.3442;-4.1176,-1.102,5.9631;-2.1115,-.7632,7.499;-2.5017,-1.3744,8.3322;-1.6018,.1034,7.9551;-1.0921,-1.5923,6.7103;-.68,-.9845,5.8838;-1.6187,-2.4385,6.237;.0469,-2.1503,7.569;.7123,-2.7472,6.9172;-.3764,-2.8579,8.3058;.8903,-1.1098,8.3151;1.6914,-1.6404,8.8605;.2782,-.6172,9.0928;1.516,-.0478,7.4132;.7496,.5917,6.9407;2.1904,.6131,7.9845;2.1065,-.5122,6.6026;-4.4085,-2.2607,6.4579;-4.6016,-2.0506,7.5623;-3.2539,-.2467,6.6505;-3.0988,.7334,6.1887;-4.3282,2.9486,7.3141;-3.2254,2.9466,7.2464;-4.6726,3.9863,7.1644;-4.7189,2.3478,6.4745;-4.8016,2.4127,8.6636;-4.4924,3.1146,9.4582;-5.9076,2.404,8.6841;-4.2874,1.0221,9.0408;-4.65,.763,10.0516;-3.1869,1.0085,9.1099;-4.7843,-.1031,8.1496;-4.7909,-1.2902,8.6051;-5.6129,.1961,7.4684; -739.262229553535 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001107064628 0.000200193487 0.032423011207 0.008410782267 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111616217 -0.000118292 0.000136438 0.000165302 0.000426527 0.000696325 0.000785990 0.001030510 0.001183820 0.001525768 0.001570813 0.002035722 0.003476555 0.003984733 0.004710356 0.005180700 0.005774533 0.006360720 0.006651845 0.007658633 0.008842823 0.010639887 0.011662434 0.014992817 0.015707481 0.019270668 0.021298427 0.022578263 0.028261039 0.030583276 0.032736716 0.033573665 0.035903259 0.038685380 0.040856526 0.043503791 0.044918764 0.045623962 0.048682993 0.050367253 0.051118444 0.051560668 0.052858529 0.053873888 0.054621160 0.055870456 0.057737549 0.058568210 0.059747723 0.061204791 0.066052457 0.069326908 0.071348084 0.072422105 0.075377762 0.076944700 0.078696115 0.081277766 0.083141847 0.090131657 0.090791342 0.091997486 0.094528083 0.102463502 0.104403426 0.106790993 0.110117500 0.112054589 0.113705825 0.115269444 0.117199982 0.121499826 0.131178390 0.136263321 0.139040401 0.143826565 0.147975670 0.156220016 0.164194235 0.166478998 0.170250685 0.176429894 0.177953791 0.181742632 0.190780884 0.204132456 0.208034574 0.215364773 0.222749253 0.232729346 0.266085089 0.287236264 0.301004764 0.310662698 0.356906001 0.368732195 0.397651935 0.411995991 0.468420616 0.508745622 0.524472745 0.570969430 0.617762609 0.624310070 0.646117437 0.697860045 0.743561266 0.755990172 0.764190592 0.772998942 0.775782784 0.778654885 0.788096336 0.794657112 0.795668529 0.804390403 0.808686677 0.818521331 0.826783058 0.841843671 0.847638523 0.853427447 0.856726851 0.870714982 0.885186239 0.893476630 0.900012206 0.901849036 0.918223442 0.920337903 0.928865382 0.940928679 1.043401264 1.106475043 1.281411378 13 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-2.6848,-2.3307,3.3882;-2.8236,-3.2407,3.9977;-2.2844,-1.5465,4.0532;-1.9137,-2.5418,2.6273;-3.9951,-1.8993,2.735;-4.2901,-2.6504,1.9802;-3.8348,-.9557,2.1794;-5.1653,-1.7174,3.7048;-5.3976,-2.674,4.2046;-6.0612,-1.4391,3.1233;-4.9489,-.6519,4.7881;-5.9406,-.3812,5.2057;-4.5188,.2693,4.3558;-4.1218,-1.1084,5.9668;-2.1113,-.7643,7.4958;-2.5,-1.3739,8.3312;-1.6018,.1038,7.9491;-1.092,-1.5947,6.7082;-.6781,-.9874,5.882;-1.6187,-2.4406,6.2345;.0451,-2.1533,7.5692;.7129,-2.749,6.9188;-.38,-2.8621,8.304;.8849,-1.1132,8.3195;1.6844,-1.6439,8.8674;.2695,-.6218,9.0953;1.5132,-.0497,7.421;.748,.5889,6.945;2.1835,.612,7.9959;2.1085,-.5127,6.6132;-4.4089,-2.266,6.4666;-4.6005,-2.051,7.5714;-3.2554,-.251,6.6478;-3.1019,.7278,6.1828;-4.3201,2.9458,7.3041;-3.2177,2.9406,7.2346;-4.6617,3.9839,7.152;-4.714,2.3441,6.4667;-4.793,2.4155,8.6559;-4.4814,3.1193,9.4477;-5.8987,2.4095,8.6776;-4.2821,1.0253,9.0378;-4.6448,.7711,10.0499;-3.1819,1.0092,9.1067;-4.7822,-.1022,8.1514;-4.7877,-1.2883,8.6101;-5.6127,.1953,7.472; -739.262229975969 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.001161795866 0.000209975770 0.031332219108 0.008371380668 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111617118 -0.000340299 0.000133042 0.000169658 0.000423646 0.000701635 0.000789610 0.001037534 0.001190746 0.001553306 0.001568933 0.002035978 0.003499665 0.004008420 0.004717341 0.005185213 0.005775376 0.006373409 0.006725718 0.007751627 0.008879799 0.010697092 0.011677496 0.015035956 0.015721297 0.019275226 0.021301415 0.022578738 0.028286609 0.030584058 0.032736714 0.033576561 0.035903273 0.038688872 0.040856346 0.043503706 0.044922949 0.045624012 0.048686394 0.050367244 0.051121612 0.051561762 0.052858936 0.053875460 0.054623308 0.055867853 0.057738413 0.058567241 0.059748470 0.061207007 0.066052476 0.069326506 0.071348259 0.072425547 0.075378094 0.076945517 0.078695006 0.081278329 0.083142270 0.090134097 0.090791346 0.092002217 0.094527810 0.102463457 0.104403383 0.106794164 0.110119945 0.112057689 0.113705722 0.115269344 0.117202981 0.121500162 0.131193775 0.136267528 0.139041262 0.143826910 0.147997470 0.156292922 0.164198988 0.166478897 0.170261104 0.176432168 0.177974112 0.181813957 0.190793381 0.204146317 0.208059591 0.215381646 0.222752167 0.232731347 0.266097610 0.287259180 0.301009863 0.310663000 0.357187493 0.368737476 0.397659563 0.411998518 0.468433162 0.508764840 0.524473750 0.570996672 0.617764566 0.624313789 0.646299245 0.698004561 0.743561713 0.756004243 0.764451656 0.772999105 0.775787264 0.778654866 0.788096462 0.794657302 0.795686633 0.804390382 0.808687511 0.818521634 0.826783792 0.841844886 0.847638560 0.853434335 0.856727492 0.870718926 0.885187599 0.893476598 0.900013346 0.901854887 0.918225424 0.920339292 0.928865491 0.940932441 1.043406438 1.106475268 1.281426591 14 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-2.6946,-2.3513,3.3886;-2.8411,-3.2567,4.0029;-2.287,-1.5672,4.0493;-1.9258,-2.5731,2.6286;-4.0012,-1.912,2.7334;-4.303,-2.6643,1.9825;-3.8328,-.9728,2.173;-5.1696,-1.7148,3.7024;-5.4105,-2.6668,4.2063;-6.0627,-1.4307,3.1197;-4.9426,-.647,4.781;-5.931,-.364,5.1973;-4.5035,.2677,4.345;-4.1199,-1.1059,5.9616;-2.1121,-.7656,7.4946;-2.5015,-1.3808,8.3253;-1.6057,.101,7.9543;-1.0888,-1.5885,6.7042;-.6766,-.9754,5.8814;-1.6121,-2.4338,6.2257;.0496,-2.1474,7.563;.7208,-2.7357,6.9094;-.3731,-2.863,8.2926;.8839,-1.1083,8.3211;1.6856,-1.639,8.8657;.2656,-.6256,9.1001;1.5076,-.0354,7.4308;.7396,.6028,6.9591;2.1744,.6256,8.0109;2.1055,-.4894,6.62;-4.4093,-2.264,6.4589;-4.6027,-2.0512,7.5633;-3.2548,-.25,6.6462;-3.0995,.7292,6.1828;-4.3084,2.9476,7.313;-3.2057,2.9374,7.2476;-4.6446,3.9879,7.164;-4.7019,2.351,6.4718;-4.7887,2.4138,8.6608;-4.4781,3.1136,9.4565;-5.8946,2.4113,8.6779;-4.2837,1.0206,9.0398;-4.6511,.7642,10.0496;-3.1838,1.0007,9.1129;-4.7836,-.1031,8.1485;-4.7918,-1.2903,8.6037;-5.6121,.1979,7.468; -739.262235106870 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000686277564 0.000134411032 0.026322884509 0.008434972191 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111617718 0.000008806 0.000095231 0.000171521 0.000418091 0.000702814 0.000799443 0.001034394 0.001181544 0.001553244 0.001578307 0.002029177 0.003518598 0.004015055 0.004718166 0.005185815 0.005775422 0.006379492 0.006772282 0.007792824 0.008901922 0.010724530 0.011687082 0.015059933 0.015731829 0.019278714 0.021302993 0.022579746 0.028302683 0.030584470 0.032736765 0.033578899 0.035903360 0.038692624 0.040857235 0.043503917 0.044927914 0.045624362 0.048688028 0.050367126 0.051123646 0.051562506 0.052860382 0.053880344 0.054624113 0.055873869 0.057745781 0.058567547 0.059749577 0.061211035 0.066052889 0.069327722 0.071348006 0.072427506 0.075379231 0.076949260 0.078698440 0.081281419 0.083142901 0.090135380 0.090791348 0.092010531 0.094527940 0.102463892 0.104403847 0.106797653 0.110122457 0.112059683 0.113706273 0.115270112 0.117206077 0.121502980 0.131200282 0.136273035 0.139041680 0.143827026 0.148011085 0.156346238 0.164213226 0.166479490 0.170271834 0.176434189 0.177984343 0.181862885 0.190804160 0.204164644 0.208104497 0.215409378 0.222771621 0.232753000 0.266108856 0.287269978 0.301013672 0.310674067 0.357427857 0.368747210 0.397662782 0.411999939 0.468445620 0.508781058 0.524474308 0.571030512 0.617771181 0.624317478 0.646466796 0.698172946 0.743563338 0.756021515 0.764618219 0.773003887 0.775793950 0.778655126 0.788096721 0.794660270 0.795727818 0.804392989 0.808691002 0.818525260 0.826784903 0.841846780 0.847639355 0.853438206 0.856746808 0.870723266 0.885191697 0.893476800 0.900015809 0.901857830 0.918227839 0.920344386 0.928873248 0.940934981 1.043416262 1.106486735 1.281441932 15 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-2.6964,-2.3414,3.3843;-2.8346,-3.2496,3.997;-2.2937,-1.5553,4.0459;-1.9269,-2.5555,2.6223;-4.0079,-1.9109,2.7328;-4.3052,-2.6641,1.9807;-3.8478,-.9688,2.1741;-5.1757,-1.7242,3.7052;-5.4083,-2.6791,4.2083;-6.0727,-1.4456,3.1255;-4.9515,-.6565,4.7843;-5.9384,-.3747,5.2009;-4.5141,.2574,4.3482;-4.1261,-1.1133,5.9636;-2.1136,-.7717,7.4901;-2.5019,-1.3912,8.3181;-1.6106,.0948,7.9537;-1.086,-1.5875,6.6979;-.6738,-.9689,5.8791;-1.6053,-2.4323,6.2139;.0521,-2.1467,7.5572;.7296,-2.7263,6.9018;-.3697,-2.8704,8.2795;.8771,-1.1088,8.3273;1.6801,-1.6391,8.8705;.2527,-.6367,9.1082;1.4974,-.0241,7.4486;.7271,.6129,6.9789;2.1572,.6366,8.0372;2.102,-.4673,6.6365;-4.4155,-2.2697,6.4648;-4.6072,-2.0529,7.5688;-3.2572,-.2567,6.6429;-3.101,.7207,6.1758;-4.2912,2.9462,7.3072;-3.1886,2.9296,7.2422;-4.6213,3.9882,7.1569;-4.6879,2.3509,6.4666;-4.775,2.4167,8.6555;-4.4615,3.1163,9.4503;-5.8809,2.4196,8.672;-4.2768,1.0219,9.0371;-4.6452,.7697,10.0476;-3.177,.9967,9.1102;-4.7823,-.1019,8.149;-4.793,-1.288,8.607;-5.6112,.2005,7.4697; -739.262234101456 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000671318625 0.000142883552 0.035052282292 0.008396444408 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111618813 0.000049511 0.000097526 0.000174254 0.000419645 0.000704990 0.000802841 0.001031740 0.001180701 0.001555075 0.001581486 0.002029128 0.003525297 0.004018534 0.004718299 0.005185654 0.005775421 0.006381665 0.006791774 0.007815530 0.008909861 0.010734792 0.011691561 0.015068770 0.015736652 0.019280519 0.021303370 0.022579760 0.028309195 0.030584539 0.032736765 0.033579740 0.035903458 0.038694087 0.040857617 0.043504029 0.044930836 0.045624372 0.048688798 0.050367093 0.051123984 0.051562598 0.052861074 0.053883316 0.054624491 0.055872730 0.057748070 0.058568275 0.059749490 0.061212300 0.066052803 0.069329878 0.071347863 0.072427930 0.075379489 0.076950950 0.078698892 0.081282225 0.083143106 0.090136162 0.090791316 0.092013624 0.094527557 0.102464035 0.104403827 0.106798522 0.110123089 0.112059795 0.113706387 0.115271191 0.117207587 0.121503409 0.131202204 0.136274547 0.139041609 0.143827975 0.148017147 0.156364531 0.164220867 0.166479378 0.170276833 0.176434674 0.177988745 0.181877623 0.190809221 0.204168918 0.208112634 0.215408670 0.222778570 0.232751177 0.266106859 0.287271125 0.301013936 0.310675012 0.357517749 0.368748362 0.397663129 0.412000771 0.468449290 0.508787982 0.524474587 0.571042211 0.617772932 0.624319045 0.646534945 0.698236277 0.743563534 0.756026038 0.764659454 0.773006395 0.775795328 0.778655466 0.788096679 0.794661227 0.795752479 0.804393432 0.808693088 0.818526638 0.826785077 0.841846677 0.847639376 0.853437951 0.856749046 0.870724435 0.885194256 0.893476924 0.900016226 0.901862243 0.918227943 0.920346412 0.928874642 0.940935042 1.043418973 1.106488676 1.281451968 16 6 1 1 1 6 1 1 6 1 1 6 1 1 6 6 1 1 6 1 1 6 1 1 6 1 1 6 1 1 1 8 1 6 1 6 1 1 1 6 1 1 6 1 1 6 8 1 212.15929999999994 AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-2.7023,-2.3629,3.3894;-2.8541,-3.2663,4.0057;-2.2904,-1.5795,4.0485;-1.9342,-2.5905,2.6301;-4.0063,-1.9175,2.7329;-4.3117,-2.6694,1.9829;-3.8325,-.9799,2.1712;-5.1742,-1.7123,3.7011;-5.4204,-2.6623,4.2066;-6.0656,-1.424,3.1177;-4.9404,-.6442,4.7776;-5.9255,-.3528,5.1932;-4.495,.2655,4.3397;-4.1196,-1.1054,5.9587;-2.1117,-.7677,7.4924;-2.5013,-1.3866,8.3202;-1.6076,.0981,7.9561;-1.0854,-1.5854,6.7006;-.6736,-.9686,5.8803;-1.6057,-2.4306,6.2187;.0533,-2.144,7.5594;.7281,-2.7272,6.9047;-.3684,-2.8642,8.2851;.8824,-1.1054,8.324;1.6849,-1.6356,8.8678;.2607,-.6285,9.104;1.5038,-.0259,7.4398;.7344,.6114,6.969;2.1665,.6351,8.0245;2.1057,-.474,6.6284;-4.4107,-2.2636,6.4548;-4.6039,-2.0519,7.5591;-3.2539,-.2508,6.6443;-3.0976,.7286,6.1815;-4.3026,2.9476,7.316;-3.1999,2.9363,7.2519;-4.6375,3.9884,7.1681;-4.6957,2.3526,6.4734;-4.785,2.4123,8.6624;-4.4745,3.1106,9.4595;-5.8909,2.411,8.6783;-4.2818,1.0181,9.0397;-4.6499,.7608,10.049;-3.182,.9968,9.1132;-4.7827,-.1039,8.1468;-4.7922,-1.2916,8.6007;-5.6106,.1988,7.4665; -739.262236850839 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000172609750 0.000036774088 0.017823156293 0.004855678896 0.000300000000 0.000200000000 0.002607036974 0.001738024649 -0.111616120 0.000033585 0.000108129 0.000163458 0.000377234 0.000709044 0.000798270 0.001014694 0.001168294 0.001556253 0.001588271 0.002023460 0.003531911 0.004023462 0.004718863 0.005186484 0.005776110 0.006383521 0.006811447 0.007842368 0.008923784 0.010749097 0.011695661 0.015080640 0.015742670 0.019284417 0.021303554 0.022581608 0.028316095 0.030584752 0.032736790 0.033580735 0.035903495 0.038695546 0.040858381 0.043504124 0.044933317 0.045624338 0.048688914 0.050367215 0.051124819 0.051562011 0.052861373 0.053885787 0.054624407 0.055876952 0.057750217 0.058569476 0.059749618 0.061214358 0.066053367 0.069332678 0.071348248 0.072428968 0.075379685 0.076951642 0.078699405 0.081287764 0.083142864 0.090137615 0.090791402 0.092016766 0.094528162 0.102464928 0.104404331 0.106798993 0.110124771 0.112062036 0.113706958 0.115272052 0.117211013 0.121507141 0.131203082 0.136277072 0.139042085 0.143828430 0.148022288 0.156376503 0.164222875 0.166479851 0.170278299 0.176437385 0.177989871 0.181892367 0.190814965 0.204168221 0.208123053 0.215434496 0.222778328 0.232758378 0.266115493 0.287283256 0.301013839 0.310678758 0.357553539 0.368750837 0.397662431 0.412003741 0.468450276 0.508789727 0.524475130 0.571051631 0.617774273 0.624318513 0.646561979 0.698270197 0.743563909 0.756030357 0.764680850 0.773007405 0.775798683 0.778655947 0.788097173 0.794663283 0.795765568 0.804394219 0.808695479 0.818527694 0.826785301 0.841846598 0.847639438 0.853439224 0.856752994 0.870725760 0.885195577 0.893477212 0.900018397 0.901863254 0.918227489 0.920347394 0.928878254 0.940936320 1.043425112 1.106494320 1.281459639 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:-2.7066,-2.3662,3.3865;-2.8572,-3.2681,4.0051;-2.2932,-1.5814,4.043;-1.9403,-2.5956,2.6261;-4.0119,-1.922,2.7317;-4.319,-2.6754,1.984;-3.8392,-.9857,2.1675;-5.1777,-1.7147,3.7016;-5.424,-2.6639,4.2085;-6.0699,-1.4262,3.1194;-4.9416,-.6458,4.7769;-5.9267,-.3542,5.1937;-4.4967,.2641,4.3378;-4.1201,-1.1067,5.9575;-2.1117,-.7693,7.4902;-2.5009,-1.3916,8.3157;-1.6098,.096,7.9572;-1.0829,-1.5819,6.6966;-.6714,-.961,5.8794;-1.6009,-2.4263,6.2107;.0558,-2.1417,7.5548;.7341,-2.7186,6.8982;-.3652,-2.8676,8.2751;.8793,-1.1047,8.3276;1.6824,-1.6352,8.87;.254,-.635,9.109;1.4989,-.0174,7.4518;.7283,.6195,6.9826;2.1572,.6429,8.0423;2.105,-.4581,6.6394;-4.4112,-2.2647,6.4541;-4.6044,-2.0524,7.5583;-3.2541,-.2522,6.6425;-3.0973,.7268,6.1792;-4.2924,2.947,7.3159;-3.1896,2.9312,7.2528;-4.6228,3.9895,7.1685;-4.6873,2.3544,6.4726;-4.7785,2.4127,8.6615;-4.467,3.1099,9.4592;-5.8844,2.4149,8.6758;-4.2801,1.0169,9.0396;-4.6509,.7608,10.0482;-3.1805,.9924,9.1154;-4.7822,-.1041,8.1462;-4.7927,-1.2919,8.5997;-5.6099,.1997,7.466; -739.262236332745 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000263216243 0.000058874003 0.015455103333 0.004567314438 0.000300000000 0.000200000000 0.001709620938 0.001139747292 -0.111618114 0.000056785 0.000125343 0.000156795 0.000371974 0.000712126 0.000798542 0.001015140 0.001162688 0.001556865 0.001595275 0.002027557 0.003537495 0.004022756 0.004718986 0.005187260 0.005776879 0.006384649 0.006824105 0.007848793 0.008927664 0.010751137 0.011696642 0.015084295 0.015746187 0.019286159 0.021303510 0.022582701 0.028317769 0.030584737 0.032736796 0.033581798 0.035903683 0.038699583 0.040858777 0.043504217 0.044936539 0.045624596 0.048689159 0.050367233 0.051124917 0.051562212 0.052861787 0.053891386 0.054626055 0.055882317 0.057752396 0.058573407 0.059749517 0.061220492 0.066053395 0.069335707 0.071348491 0.072429266 0.075381111 0.076955183 0.078700337 0.081289019 0.083143077 0.090138182 0.090791382 0.092020847 0.094528141 0.102465542 0.104405214 0.106799768 0.110125685 0.112063653 0.113707289 0.115273837 0.117212287 0.121508552 0.131204229 0.136279175 0.139042409 0.143828966 0.148023915 0.156385258 0.164224513 0.166480630 0.170279626 0.176437789 0.177991454 0.181896599 0.190816886 0.204169412 0.208123992 0.215449947 0.222783062 0.232772886 0.266124469 0.287286056 0.301015121 0.310679730 0.357580417 0.368752279 0.397665621 0.412005590 0.468451630 0.508793506 0.524475595 0.571061859 0.617774920 0.624318821 0.646598607 0.698297449 0.743563953 0.756036831 0.764697809 0.773008049 0.775801517 0.778656137 0.788097596 0.794665810 0.795782943 0.804394340 0.808696563 0.818528131 0.826785502 0.841846716 0.847639667 0.853439703 0.856754478 0.870726484 0.885199028 0.893477274 0.900022264 0.901864042 0.918229050 0.920348226 0.928879749 0.940936435 1.043437202 1.106496329 1.281477636 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:-2.7012,-2.3595,3.388;-2.8505,-3.2634,4.0041;-2.2905,-1.5755,4.0471;-1.9334,-2.5852,2.628;-4.0067,-1.9167,2.7327;-4.3111,-2.6691,1.9829;-3.8354,-.9787,2.171;-5.1741,-1.7143,3.7019;-5.4181,-2.6649,4.2071;-6.0665,-1.4276,3.1192;-4.942,-.6462,4.7788;-5.9279,-.3573,5.1948;-4.4987,.265,4.3412;-4.1203,-1.1065,5.9596;-2.1119,-.768,7.4922;-2.5013,-1.387,8.32;-1.6079,.0979,7.9558;-1.0856,-1.5854,6.7002;-.6737,-.9682,5.8803;-1.6059,-2.4304,6.2179;.053,-2.1444,7.5589;.7281,-2.7269,6.9039;-.3688,-2.8653,8.2838;.8816,-1.1062,8.3245;1.6841,-1.6366,8.8681;.2596,-.6302,9.1047;1.503,-.0259,7.4415;.7336,.6116,6.971;2.1654,.6348,8.0269;2.1052,-.4731,6.6299;-4.4109,-2.2644,6.4564;-4.604,-2.052,7.5607;-3.2544,-.2515,6.6442;-3.0982,.7277,6.1808;-4.3008,2.9473,7.3145;-3.1981,2.9349,7.2501;-4.6347,3.9885,7.1662;-4.6947,2.3524,6.4723;-4.7836,2.4131,8.6612;-4.4725,3.1117,9.4579;-5.8895,2.4127,8.6772;-4.2813,1.0187,9.0395;-4.6498,.7624,10.0489;-3.1816,.9968,9.1133;-4.7827,-.1036,8.1473;-4.7922,-1.2911,8.6017;-5.6108,.1989,7.467; -739.262236971572 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000055278671 0.000012046955 0.023881326208 0.006437235331 0.000300000000 0.000200000000 0.008140572015 0.005427048010 -0.111626687 -0.000050304 0.000095103 0.000150611 0.000317242 0.000708445 0.000807649 0.000975914 0.001096167 0.001562706 0.001605934 0.002009419 0.003558648 0.004016465 0.004716517 0.005185034 0.005777484 0.006386865 0.006842382 0.007853422 0.008935291 0.010763124 0.011703767 0.015093851 0.015753585 0.019288651 0.021304923 0.022584744 0.028330192 0.030585804 0.032736932 0.033583027 0.035904116 0.038704812 0.040859501 0.043504515 0.044941393 0.045625064 0.048690399 0.050367328 0.051127076 0.051562857 0.052863176 0.053898787 0.054625882 0.055889356 0.057761535 0.058576485 0.059749646 0.061227259 0.066054044 0.069339325 0.071348032 0.072430262 0.075380733 0.076959302 0.078706526 0.081293456 0.083141706 0.090138147 0.090791320 0.092030363 0.094528521 0.102466213 0.104406613 0.106801613 0.110127959 0.112068114 0.113708832 0.115276139 0.117213621 0.121510217 0.131205930 0.136285041 0.139043711 0.143829604 0.148032061 0.156419116 0.164234092 0.166481674 0.170285095 0.176444146 0.177995665 0.181927477 0.190826294 0.204182392 0.208158833 0.215480452 0.222808772 0.232793840 0.266139377 0.287301335 0.301019674 0.310695762 0.357713671 0.368756661 0.397667010 0.412006467 0.468457844 0.508799987 0.524476454 0.571080673 0.617778968 0.624319623 0.646673358 0.698368024 0.743564606 0.756047936 0.764762597 0.773011811 0.775806998 0.778657134 0.788098074 0.794668699 0.795815140 0.804395268 0.808699145 0.818530541 0.826786178 0.841845520 0.847640153 0.853440684 0.856764259 0.870727859 0.885202069 0.893477811 0.900031442 0.901865954 0.918230971 0.920352292 0.928879865 0.940936721 1.043453094 1.106507045 1.281502088 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:-2.7022,-2.3531,3.386;-2.8475,-3.26,3.9987;-2.2934,-1.5702,4.0475;-1.9345,-2.5731,2.6241;-4.0102,-1.9124,2.7342;-4.313,-2.663,1.9818;-3.843,-.9716,2.176;-5.177,-1.7177,3.7059;-5.4155,-2.6706,4.2096;-6.0718,-1.4342,3.1254;-4.9479,-.6506,4.7843;-5.9338,-.3668,5.2026;-4.5095,.2627,4.3474;-4.1217,-1.1089,5.9626;-2.1087,-.7691,7.4886;-2.4966,-1.39,8.3157;-1.6055,.0966,7.9535;-1.0816,-1.5835,6.6944;-.6679,-.9626,5.8782;-1.6017,-2.4257,6.2071;.0549,-2.148,7.5523;.7328,-2.7246,6.895;-.3685,-2.875,8.2701;.8797,-1.1151,8.3292;1.6808,-1.6492,8.8715;.2541,-.6462,9.111;1.5032,-.0269,7.4572;.7347,.6132,6.9882;2.162,.6301,8.0507;2.1097,-.467,6.6446;-4.4106,-2.2661,6.4625;-4.6004,-2.0512,7.5672;-3.2529,-.253,6.6427;-3.0975,.7254,6.1775;-4.3072,2.9471,7.3044;-3.2047,2.9397,7.236;-4.6466,3.986,7.1532;-4.7013,2.347,6.466;-4.7824,2.4161,8.6551;-4.4701,3.1183,9.448;-5.8882,2.4122,8.6758;-4.2744,1.0245,9.0356;-4.6373,.7703,10.0476;-3.1743,1.0061,9.1041;-4.7773,-.1015,8.1488;-4.7851,-1.2875,8.607;-5.6076,.1984,7.4701; -739.262234913176 0.000000000000 Maximum Force|RMS Force|Maximum Displacement|RMS Displacement 0.000429036755 0.000095019190 0.021533910944 0.006383278380 0.000300000000 0.000200000000 0.001500000000 0.001000000000 -0.111627301 0.000074402 0.000123049 0.000162494 0.000333863 0.000708079 0.000811001 0.000978473 0.001100861 0.001565526 0.001609081 0.002009593 0.003561343 0.004016248 0.004716839 0.005184918 0.005777783 0.006387854 0.006847219 0.007860438 0.008938268 0.010765554 0.011705007 0.015096931 0.015756606 0.019289715 0.021304908 0.022584890 0.028333242 0.030585903 0.032736980 0.033583284 0.035904026 0.038705473 0.040859676 0.043504486 0.044942797 0.045625072 0.048690798 0.050367346 0.051127316 0.051562993 0.052863624 0.053900387 0.054625873 0.055889166 0.057762129 0.058577103 0.059749670 0.061227809 0.066053965 0.069340846 0.071347900 0.072430572 0.075381046 0.076960776 0.078707939 0.081295855 0.083141923 0.090138207 0.090791347 0.092032118 0.094528338 0.102466913 0.104406743 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AuxInfo=1/0/N:27,1,35,24,5,39,21,8,42,18,15,11,33,45,14,46,31,32/CRV:13.3,14.3,15.3,18.2/rA:47nCHHHCHHCHHCHHC3CHHCHHCHHCHHCHHHOH2C3HCHHHCHHCHHC3OH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;s11;s11;;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s14;s31;s14s15;s33;;s35;s35;s35;s35;s39;s39;s39;s42;s42;s42;s32s45;s45;/rC:-2.7024,-2.3615,3.3881;-2.8526,-3.2652,4.0044;-2.291,-1.5778,4.0471;-1.9347,-2.588,2.6282;-4.0074,-1.9176,2.7327;-4.3125,-2.6698,1.9829;-3.8352,-.9798,2.1709;-5.1747,-1.7139,3.7018;-5.4195,-2.6641,4.2073;-6.0669,-1.4265,3.1191;-4.9415,-.6456,4.7783;-5.927,-.3557,5.1944;-4.4975,.2649,4.3404;-4.12,-1.1062,5.9591;-2.1116,-.768,7.4918;-2.501,-1.3875,8.3193;-1.6079,.0977,7.956;-1.0849,-1.5848,6.6996;-.673,-.967,5.8801;-1.605,-2.4296,6.2167;.0536,-2.1441,7.5582;.729,-2.7259,6.903;-.3682,-2.8657,8.2824;.8815,-1.1062,8.3249;1.6841,-1.6368,8.8683;.2591,-.6311,9.1053;1.5028,-.0249,7.443;.7333,.6126,6.9729;2.1647,.6356,8.0292;2.1054,-.4712,6.6312;-4.4108,-2.2642,6.4558;-4.6038,-2.0519,7.5601;-3.254,-.2513,6.6439;-3.0978,.7279,6.1807;-4.3008,2.9475,7.3149;-3.198,2.9354,7.2506;-4.6349,3.9886,7.1667;-4.6944,2.3526,6.4725;-4.7835,2.413,8.6615;-4.4726,3.1114,9.4583;-5.8894,2.4123,8.6774;-4.281,1.0186,9.0394;-4.6494,.762,10.0488;-3.1812,.9968,9.1131;-4.7824,-.1036,8.147;-4.7919,-1.2911,8.6013;-5.6104,.199,7.4668; 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