Version2.1 2021-01-14T15:01:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CCC(=O)[O-])c4cccc(c4)C C39709868 RHF 6-31G(d) (6D,7F) CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CCC(=O)[O-])c4cccc(c4)C C01[X(C24H29N4O3S1)] 177 C1 542 CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]1NN[C@H]([NH+]1CCC(=O)[O-])c1cccc(c1)C CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]1NN[C@H]([NH+]1CCC(=O)[O-])c1cccc(c1)C CCC1=CC=CC2=C(C[NH+]=C12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CCC([O-])=O)c4cccc(C)c4 InChIKey=ORZFGAQJXJURIN-DNQXCXABSA-O InChI=1S/C24H28N4O3S/c1-3-16-7-5-9-18-19(13-25-22(16)18)20(29)14-32-24-27-26-23(28(24)11-10-21(30)31)17-8-4-6-15(2)12-17/h4-9,12,23-24,26-27H,3,10-11,13-14H2,1-2H3,(H,30,31)/p+1/t23-,24-/m1/s1 InChI=1/C24H28N4O3S/c1-3-16-7-5-9-18-19(13-25-22(16)18)20(29)14-32-24-27-26-23(28(24)11-10-21(30)31)17-8-4-6-15(2)12-17/h4-9,12,23-24,26-27H,3,10-11,13-14H2,1-2H3,(H,30,31)/p+1/t23-,24-/m1/s1/fC24H29N4O3S/h25,28H/q+1 CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CCC(=O)[O-])c4cccc(c4)C C01[X(C24H29N4O3S1)] 177 C01 542 CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]1NN[C@H]([NH+]1CCC(=O)[O-])c1cccc(c1)C CC[C]1=[CH][CH]=[CH][C]2[C]1[NH]CC=2C(=O)CS[C@@H]1NN[C@H]([NH]1CC[C]([O])[O])[C]1[CH][CH][CH][C]([CH]1)C CCC1=CC=CC2=C(CN[C]12)C(=O)CS[C@@H]3NN[C@@H]([C]4[CH][CH][CH][C](C)[CH]4)[NH]3CC[C]([O])[O] InChIKey=JQVOYOGMOYZPNO-DNQXCXABSA-N InChI=1S/C24H29N4O3S/c1-3-16-7-5-9-18-19(13-25-22(16)18)20(29)14-32-24-27-26-23(28(24)11-10-21(30)31)17-8-4-6-15(2)12-17/h4-9,12,23-28H,3,10-11,13-14H2,1-2H3/t23-,24-/m1/s1 InChI=1/C24H29N4O3S/c1-3-16-7-5-9-18-19(13-25-22(16)18)20(29)14-32-24-27-26-23(28(24)11-10-21(30)31)17-8-4-6-15(2)12-17/h4-9,12,23-28H,3,10-11,13-14H2,1-2H3/t23-,24-/m1/s1 3434.4766314987 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3.0045 2.9704 4.0259 5.4737 2.7376 2.9515 2.1986 6.3789 5.0305 3.4313 2.1085 2.1065 2.5532 3.6935 1.5330 1.6557 3.9462 3.6659 4.3409 3.8179 4.0680 1.8862 1.6324 2.7240 1.8092 1.7058 1.7021 2.2117 2.3207 2.4901 4.0105 2.5000 1.4181 2.5482 2.1482 2.7388 1.3477 3.1079 1.3451 2.4593 1.5519 2.0876 1.9141 2.1659 2.2531 2.2609 2.1236 2.2754 2.0965 1.9669 1.2687 2.8903 1.1697 1.4796 1.2308 1.3711 1.6724 2.3567 1.2199 1.2578 1.1687 1.8288 1.2928 1.3277 1.5087 1.5599 1.5080 1.2083 1.4465 1.3005 1.3495 2.1488 1.5312 2.0767 1.2372 1.2398 1.6836 2.5531 1.8769 1.2605 1.6811 1.6549 1.2597 1.1510 1.0443 1.0500 1.0478 1.2881 1.0989 1.0897 1.9690 2.8445 1.2582 6.8226 5.0413 4.9897 5.3000 7.0044 8.7278 12.3913 1.0702 1.0860 1.0696 1.0398 1.0373 1.0630 1.0710 1.0965 1.0963 1.1035 1.1028 1.0998 1.1032 1.1046 1.0599 1.0907 1.0952 1.0915 1.0923 1.0920 1.1105 1.0973 1.0933 1.0912 1.0968 1.0766 1.0786 1.0783 1.0814 0.0002 0.0013 0.0027 0.0034 0.0015 0.0040 0.0127 0.0164 0.0092 0.0487 0.0474 0.0319 0.0552 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6.8028 6.8607 6.9250 6.9523 6.9732 7.0447 7.0568 6.9260 7.2262 7.2646 7.2997 7.3318 7.3730 7.5330 7.4470 7.4656 7.5859 7.7270 8.5585 8.8122 9.2889 9.5989 0.6736 1.8421 0.1648 0.6931 0.3630 1.5467 2.6715 7.5624 0.4525 4.6445 2.9411 0.8859 4.3042 22.0374 2.7614 7.2730 1.5035 14.9318 0.1517 6.9342 1.3869 3.4666 15.9180 40.3240 5.0226 5.6525 7.3771 1.5683 1.4010 8.1526 3.6705 4.7068 0.0328 12.9920 0.2167 9.2844 6.9046 4.7228 6.2703 18.1825 6.8082 14.0351 1.9289 74.3824 7.9439 7.7087 26.6636 27.6130 6.1200 24.6886 4.8590 8.3306 17.9233 40.0634 38.1491 79.0943 51.8812 28.0517 9.1440 13.0196 85.6326 12.0421 34.9909 25.6760 78.0929 14.7574 18.3400 45.1476 51.2671 3.9275 7.0182 0.2453 4.5128 105.3958 10.1253 29.8233 13.6394 12.8866 2.9145 17.4013 0.6772 25.1593 40.8205 16.6306 0.0585 2.8461 0.0365 9.1450 3.9272 100.3619 24.2278 102.5297 30.8260 26.9786 13.3305 7.8184 231.4105 15.6926 7.7727 31.8187 4.3622 8.3881 3.6739 46.3097 57.8370 5.4581 14.7164 5.1467 3.5725 33.3098 95.2567 1.8253 25.1776 4.0517 11.8074 15.1835 31.9959 90.9276 5.7947 134.6248 36.8947 25.9824 3.6829 0.2913 29.3430 4.6821 152.1260 28.8822 185.7040 17.4542 28.9244 51.4433 5.9829 3.0723 12.9337 22.5766 9.4192 27.3523 12.7976 87.3474 22.6682 44.1417 5.6671 74.8400 9.5996 125.7115 527.7603 99.6184 278.5189 26.0727 30.4869 21.9822 23.7225 8.4739 12.1829 38.3980 1.5620 11.5308 17.0636 51.8082 17.9803 26.3211 2.8884 6.8250 17.2047 9.9783 9.4105 3.4619 0.7513 13.0320 3.9811 21.3707 6.3856 4.5076 38.0800 44.3991 172.5788 1.8235 3.7944 3.9732 3.1277 0.6208 1.1712 1.9472 2.2493 0.4963 0.4635 1.5712 1.0861 0.9276 1.2558 5.1869 1.1203 1.2233 1.2867 0.9901 1.5315 2.5543 1.0791 0.7715 2.8715 2.2688 1.3955 3.4535 2.3160 0.8048 0.7995 3.2031 0.4656 1.7333 2.2255 1.9212 0.4293 2.5133 0.4671 2.2945 2.4050 3.2987 2.6671 4.1748 1.5303 1.0077 5.0910 15.0797 3.3861 8.7197 5.1873 8.0288 4.9326 5.2791 2.6851 0.7150 18.3028 1.5276 27.4967 1.8612 1.8755 5.4482 11.4788 1.2813 4.1571 2.1029 1.8339 2.1744 6.2006 8.8272 5.0188 4.2353 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 5890.6150 33074.5155 33764.6905 0.99999 -0.00032 -0.00435 0.00062 0.99773 0.06738 0.00432 -0.06738 0.99772 1 0.01470 0.00262 0.00257 0.30638 0.05457 0.05345 12.08 29.85 49.78 60.89 61.49 71.09 89.82 103.41 104.20 140.78 150.78 166.52 181.26 199.89 227.95 236.12 267.07 292.77 296.50 322.96 340.49 344.80 366.48 385.57 414.57 419.15 436.63 454.27 487.95 512.22 523.09 553.18 603.60 628.23 637.11 652.48 655.27 711.76 739.80 787.86 806.99 811.59 812.36 847.80 860.66 876.38 909.60 934.83 971.69 985.38 1008.11 1018.97 1038.54 1070.90 1128.06 1147.18 1172.20 1203.25 1211.66 1223.72 1227.07 1277.04 1291.85 1292.22 1312.68 1315.43 1373.42 1399.20 1405.25 1444.33 1471.43 1474.34 1480.72 1516.79 1522.40 1526.08 1541.94 1550.69 1560.17 1579.65 1582.35 1590.04 1600.77 1617.42 1622.11 1630.73 1640.18 1679.48 1696.20 1709.40 1712.43 1726.25 1729.73 1751.77 1769.36 1813.63 1814.81 1842.94 1874.83 1883.20 1890.49 1919.12 1924.39 1935.45 1970.54 1972.40 1974.28 2003.83 2013.37 2047.71 2099.52 2106.56 2115.81 2149.20 2151.36 2161.11 2168.79 2175.89 2197.12 2219.66 2225.05 2232.77 2256.67 2259.97 2271.19 2277.34 2278.56 2295.06 2304.09 2308.61 2321.26 2334.69 2344.90 2353.39 2360.76 2364.13 2378.26 2379.91 2399.15 2414.09 2419.37 2528.18 2577.26 2581.09 2604.11 2656.17 2670.79 2899.65 4536.57 4585.22 4609.65 4620.54 4622.76 4638.16 4641.03 4668.76 4689.02 4695.62 4706.32 4719.88 4736.65 4737.63 4791.63 4824.64 4827.60 4847.29 4856.23 4870.62 4882.04 4883.01 4898.05 4942.15 4975.22 5284.84 5357.73 5501.55 5584.62 0.547285 0.575494 0.576438 0.485262 -1764.799030 -1764.770821 -1764.769876 -1764.861052 3.058058D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CCC(=O)[O-])c4cccc(c4)C C39709868 RHF 6-31G(d) (6D,10F) C1 453.196038 |X|Y|Z| 40.077041 44.119730 129.252093 61.139520 23 6 7 16 18 4 1 |36.858105| |12.412492|36.858105| |7.469850|12.589803|36.858105| |5.458303|7.528906|14.070649|36.858105| |4.001260|4.896371|7.661944|13.140404|36.858105| |3.638656|4.296362|6.521917|7.834889|14.230116|36.858105| |4.111135|4.868834|7.554886|6.890787|7.993156|13.179775|36.858105| |3.526051|3.955491|5.268812|4.663458|5.151252|7.412621|14.094204|36.858105| |3.881172|4.258271|5.179023|4.162934|4.111712|5.068332|8.192642|12.772239|36.858105| |5.391374|6.250906|7.726287|5.291646|4.680302|5.293288|8.451009|8.333637|13.162895|53.358707| |5.998788|6.714896|6.844398|4.668154|3.966962|4.233839|5.922321|5.860907|8.817395|26.030096|0.500000| |5.738929|7.414496|13.328746|8.134911|6.852853|7.619173|13.125164|8.443056|8.350740|19.815503|0.258349|36.858105| |2.773826|3.024822|3.793163|3.613494|4.189740|5.895456|7.480808|12.619505|7.166191|6.904776|0.113003|5.108866|36.858105| |2.566817|2.803892|3.535706|3.568755|4.399103|6.343864|6.608789|8.159539|5.134873|5.629899|0.094805|4.454612|16.051825|73.516695| |2.455156|2.607998|3.079110|2.874806|3.163350|4.030808|4.932515|7.382506|6.246055|5.845393|0.101581|3.973352|12.555957|14.192890|36.858105| |2.001620|2.121342|2.448326|2.364648|2.629376|3.222285|3.565312|4.545904|3.954093|4.191852|0.075928|2.959176|6.770728|11.131150|10.492391|388.023441| |1.929597|2.099775|2.436178|2.397663|2.702044|3.289024|3.495381|4.210284|3.578027|3.968772|0.072076|2.886456|5.851757|10.625103|6.584217|74.968244|36.858105| |2.099798|2.327372|2.754719|2.723301|3.116087|3.886204|4.126617|4.965748|4.019387|4.459688|0.079626|3.304527|6.944328|12.826164|6.707501|55.919917|17.796523|0.500000| |1.739127|1.878684|2.164553|2.178169|2.479630|2.949115|2.981251|3.393969|2.892123|3.347309|0.061480|2.486289|4.485469|8.882389|4.708900|51.084835|13.227639|0.252077|53.358707| |1.606605|1.743226|1.976754|1.987557|2.224761|2.570302|2.592848|2.883965|2.546451|3.014381|0.056238|2.230105|3.551305|6.762812|3.717231|36.136156|8.483521|0.189230|18.404203|53.358707| |1.579553|1.705199|1.907231|1.881986|2.060880|2.366257|2.462308|2.794261|2.562062|2.998613|0.056522|2.164970|3.380995|6.080537|3.771141|37.235444|7.917376|0.167561|11.490040|18.073292|36.858105| |1.534416|1.637101|1.822408|1.791257|1.953906|2.241905|2.346780|2.684848|2.485752|2.891917|0.054678|2.071750|3.273788|5.842066|3.794912|39.793101|7.037317|0.144159|10.383701|12.328053|17.497406|0.500000| |1.790891|1.950988|2.204373|2.142564|2.341194|2.745107|2.950680|3.475970|3.184939|3.607335|0.067243|2.567492|4.295409|7.367949|4.967637|48.193671|12.169251|0.249066|10.925036|11.610571|12.472534|0.255236|53.358707| |1.787234|1.927876|2.155233|2.065746|2.224565|2.596269|2.851896|3.420662|3.252212|3.629190|0.068220|2.524969|4.169713|6.862537|5.200471|50.402227|9.001710|0.191845|8.458805|8.428856|9.164562|0.241511|25.754134|0.500000| |1.859503|2.066014|2.324328|2.249369|2.427652|2.805699|3.025794|3.475549|3.245323|3.767310|0.070713|2.686721|3.986697|6.748287|4.266761|34.136881|7.368319|0.211637|7.494122|8.431521|7.386491|0.155304|17.062586|0.256633|36.858105| |2.031903|2.268071|2.522042|2.366952|2.483949|2.858988|3.231645|3.800268|3.786963|4.324767|0.082039|2.966986|4.099621|6.495425|4.496116|31.703751|5.599604|0.166839|5.630364|5.777080|4.942077|0.118604|10.270533|0.210543|12.533360|36.858105| |2.404518|2.712443|3.092764|2.828013|2.962035|3.521397|4.248075|5.357166|5.442883|5.775163|0.105978|3.842816|5.566469|8.094846|5.995650|35.486600|5.675886|0.183769|5.471319|5.133986|4.077923|0.102729|8.201543|0.170149|7.393470|12.420552|36.858105| |2.547379|2.924941|3.491751|3.262952|3.550869|4.420455|5.326788|6.784165|5.889116|6.264557|0.109567|4.434976|7.277868|10.640644|6.588845|37.520795|6.405637|0.243180|6.101227|5.483281|4.040834|0.100478|7.897711|0.149894|6.801134|8.057409|15.312035|73.516695| |2.535192|2.811865|3.122958|2.763722|2.805636|3.279233|4.097461|5.259163|6.209749|6.353449|0.120048|3.927776|5.077245|7.144115|5.802075|31.950732|4.489966|0.135920|4.568342|4.263749|3.424857|0.090003|6.403212|0.141981|5.241420|8.086602|15.503177|15.295412|73.516695| |1.453788|1.570264|1.728909|1.704994|1.839955|2.064618|2.139357|2.374387|2.232206|2.676152|0.051205|1.928832|2.737291|4.879670|2.986244|26.722856|5.005661|0.120469|7.083001|10.408584|12.661403|0.249077|10.000964|0.177136|6.347928|4.484867|3.514824|6.010202|5.376099|36.858105| |1.372198|1.468462|1.596319|1.561358|1.663126|1.850229|1.936338|2.152993|2.073399|2.492997|0.048218|1.775053|2.441068|4.275680|2.719932|23.866325|4.016735|0.097385|5.486767|6.974506|7.655305|0.204438|7.623426|0.155711|4.935824|3.979696|3.153503|5.223383|5.034460|13.743345|36.858105| |1.274522|1.362783|1.466342|1.436279|1.517404|1.664308|1.732107|1.895902|1.843438|2.256144|0.044033|1.609737|2.098958|3.681517|2.292422|19.230138|3.153727|0.079620|4.326233|5.339708|5.057254|0.133940|5.579881|0.113483|3.959873|3.369136|2.704802|4.486264|4.391860|7.945367|13.743837|36.858105| |1.247400|1.341694|1.442983|1.423515|1.505517|1.638263|1.685746|1.818286|1.756241|2.177437|0.042516|1.569071|1.992826|3.532295|2.120824|17.422658|2.923832|0.075909|4.073278|5.116296|4.461999|0.112140|5.010893|0.097740|3.767886|3.164016|2.552774|4.310521|4.100846|6.888923|7.945961|13.786613|36.858105| |1.305921|1.415980|1.536378|1.527814|1.630780|1.778788|1.811314|1.941604|1.845469|2.291794|0.044436|1.669330|2.139394|3.842478|2.233839|18.388527|3.234261|0.085154|4.599427|6.076994|5.007550|0.117503|5.507353|0.101900|4.270957|3.384992|2.723692|4.707187|4.265256|7.874025|6.813534|7.881251|13.668497|36.858105| |1.412571|1.536745|1.689089|1.681941|1.816711|2.012666|2.050704|2.223153|2.078987|2.544101|0.048803|1.857572|2.508371|4.537854|2.627785|22.352690|4.197426|0.108303|6.088380|8.945077|7.536393|0.157590|7.478914|0.129799|5.612917|4.021719|3.191933|5.593320|4.857687|13.672687|7.922472|6.887059|7.979800|13.737849|36.858105| |1.254095|1.364393|1.474628|1.478282|1.575144|1.695059|1.703912|1.793281|1.701081|2.148307|0.041789|1.580222|1.943989|3.520358|1.983088|15.869095|2.750862|0.074655|3.930661|4.974622|3.770649|0.090519|4.412278|0.081713|3.521026|2.900862|2.411435|4.239701|3.799300|4.999409|4.423416|5.014459|7.555165|12.608971|7.542354|36.858105| |17.573188|8.775899|6.751611|5.620388|4.152387|3.661981|3.933672|3.318919|3.482072|6.204603|0.131841|5.117435|2.671794|4.486804|2.344999|13.760717|1.862647|0.056144|2.312136|2.128356|1.525283|0.041248|2.332391|0.047302|1.763704|1.896979|2.222550|4.228636|4.107295|1.401155|1.320067|1.226272|1.202048|1.260680|1.364063|1.213800|0.500000| |17.544524|8.704274|6.731405|4.855538|3.807672|3.656176|4.343351|3.868801|4.464971|8.602250|0.202535|6.113593|2.996793|4.825441|2.683243|15.232111|2.023946|0.060873|2.460957|2.257178|1.640581|0.044517|2.548546|0.052327|1.926531|2.122077|2.544352|4.752620|4.858180|1.500877|1.421260|1.313714|1.277156|1.331987|1.445569|1.269784|0.302235|0.500000| |17.574725|8.800085|5.474388|4.323588|3.314247|3.037248|3.375681|2.997082|3.331275|5.987360|0.140088|4.459091|2.429814|4.010526|2.200170|12.982798|1.766300|0.052992|2.177143|2.030104|1.474678|0.039838|2.261196|0.046202|1.730746|1.895470|2.206749|4.087975|4.157520|1.369552|1.300542|1.215561|1.191134|1.241805|1.333732|1.195985|0.301472|0.301984|0.500000| |8.855924|17.582137|8.980857|7.223714|4.670205|3.901498|4.116475|3.365253|3.493861|6.396540|0.136677|5.573695|2.682531|4.523588|2.324138|13.803262|1.949104|0.059900|2.405021|2.251417|1.610003|0.042810|2.478852|0.049698|1.937677|2.101154|2.454790|4.707980|4.452607|1.494426|1.396412|1.304059|1.292301|1.367056|1.475503|1.328368|0.211992|0.172489|0.213030|0.500000| |8.807511|17.516821|8.904977|5.779129|4.184748|3.876724|4.560051|3.913074|4.449209|9.023728|0.218637|6.869924|2.994138|4.846765|2.637120|15.223937|2.129687|0.065554|2.566828|2.400802|1.743870|0.046387|2.736826|0.055480|2.157173|2.417138|2.904133|5.451547|5.443343|1.614992|1.515711|1.409307|1.386204|1.458693|1.578964|1.402764|0.172715|0.207338|0.213722|0.305865|0.500000| |5.252648|6.997850|9.114464|17.705153|8.816425|5.654326|4.962285|3.691458|3.402425|5.733529|0.108783|5.720828|3.007866|5.340180|2.473859|14.870690|2.130535|0.066398|2.674492|2.470198|1.719377|0.045508|2.626267|0.051700|2.029052|2.121938|2.471571|4.968883|4.302896|1.575183|1.448722|1.343443|1.337884|1.433901|1.564749|1.398668|0.157099|0.122963|0.120485|0.220276|0.147575|0.500000| |3.434570|4.052933|5.575541|8.778183|17.749993|9.067033|5.642068|4.108194|3.359956|5.041307|0.090262|4.947452|3.596150|6.945420|2.798775|17.205222|2.516886|0.079768|3.227694|2.918779|1.964478|0.051707|2.978750|0.057415|2.260845|2.269071|2.627407|5.532715|4.391605|1.765051|1.592623|1.460433|1.457971|1.585023|1.758773|1.544308|0.101076|0.089859|0.081478|0.112629|0.097567|0.217048|0.500000| |3.037150|3.461268|4.773632|5.567897|8.994892|17.806610|8.731553|6.559828|4.426733|5.846411|0.098237|5.492936|6.276718|13.949884|4.193205|24.857244|3.628254|0.119942|4.528919|3.858696|2.543604|0.066832|3.975800|0.075587|2.922930|2.876909|3.466402|7.848408|5.599587|2.186603|1.937384|1.730614|1.704552|1.864140|2.131497|1.772606|0.085437|0.085383|0.072287|0.089169|0.088743|0.123920|0.214552|0.500000| |3.693920|3.784966|4.371367|3.603326|3.560843|4.275282|6.204693|8.845074|17.528583|12.399264|0.205646|6.307214|6.352749|8.280265|6.267325|27.980181|3.346451|0.100270|3.737600|3.273884|2.443143|0.067160|4.064268|0.086411|2.944268|3.386734|4.597739|8.416037|9.587580|2.127823|2.004129|1.781510|1.682565|1.749879|1.961886|1.606449|0.093231|0.122076|0.089173|0.087122|0.108191|0.084106|0.083042|0.107271|0.500000| |3.394535|3.788768|4.387766|3.623123|3.581973|4.300807|6.228735|8.919625|17.476169|12.265674|0.206139|6.315911|6.408845|8.314563|6.246245|29.070164|3.809281|0.118981|4.074371|3.652998|2.762450|0.073820|4.810952|0.101678|3.707395|4.615917|7.250428|12.642754|16.651001|2.419831|2.253115|1.997231|1.895069|1.986050|2.240633|1.816667|0.084134|0.105483|0.083716|0.088798|0.114397|0.084567|0.083526|0.107906|0.298420|0.500000| |2.509030|2.681745|3.103534|2.820789|3.004254|3.720650|4.702297|7.015096|7.068779|6.284556|0.111078|4.035503|8.823196|10.574460|17.695334|55.987422|5.870887|0.168375|5.660218|4.756410|3.698580|0.102246|6.871387|0.153814|4.566881|5.281670|7.713382|13.206037|14.693458|3.012742|2.786829|2.359785|2.172622|2.267886|2.643856|2.005729|0.065396|0.076564|0.062933|0.065958|0.077047|0.067648|0.073390|0.103502|0.194095|0.223848|0.500000| |2.450337|2.529621|2.944939|2.740387|2.980028|3.716464|4.498255|6.369210|5.773369|5.569693|0.098341|3.747883|8.991161|11.663075|17.520571|58.476420|5.041407|0.137579|5.432737|4.362764|3.254376|0.093470|5.465061|0.118512|3.467236|3.646514|4.595453|8.622937|8.401304|2.640401|2.459329|2.098974|1.936706|2.016446|2.332584|1.801441|0.065490|0.075415|0.061027|0.062424|0.070391|0.065991|0.073645|0.106442|0.180477|0.150503|0.302124|0.500000| |1.663912|1.773870|2.026693|2.032272|2.295605|2.707576|2.751101|3.141460|2.722580|3.149403|0.058200|2.320394|4.133697|8.065546|4.540836|53.148724|9.411278|0.183688|25.763229|12.977923|7.463066|0.225107|8.994280|0.159019|4.538156|3.624368|3.553744|6.820663|5.492114|4.794220|3.936415|3.097244|2.855194|3.127987|4.005127|2.665429|0.045294|0.048271|0.042618|0.046294|0.049337|0.051153|0.061121|0.084300|0.073451|0.077557|0.109959|0.111810|0.500000| |1.497752|1.615771|1.820716|1.844131|2.062562|2.348906|2.335307|2.551688|2.266480|2.724377|0.051140|2.026287|3.083007|5.935820|3.191876|30.173831|6.055664|0.142817|12.960747|25.941193|9.201277|0.211169|8.152801|0.133890|4.756693|3.494574|3.149199|5.945723|4.784552|6.841284|4.827199|3.835724|3.745072|4.471778|6.335521|3.729009|0.040706|0.042801|0.038756|0.042839|0.045217|0.047181|0.055866|0.072084|0.059971|0.065618|0.083086|0.078767|0.231148|0.500000| |1.700159|1.878939|2.080681|2.023088|2.163961|2.446038|2.597798|2.909921|2.765383|3.294117|0.062804|2.354277|3.257602|5.600658|3.475048|28.062066|5.579098|0.152741|6.452891|7.939907|7.372008|0.151994|12.385631|0.206944|17.715718|8.904220|5.459735|8.852692|7.602119|7.870883|5.948580|4.828231|4.682574|5.423219|7.250091|4.248318|0.044891|0.048681|0.044340|0.049399|0.054543|0.051362|0.056641|0.070561|0.070698|0.086691|0.102540|0.081608|0.112409|0.130698|0.500000| |1.925380|2.167008|2.476740|2.435846|2.675599|3.110423|3.273514|3.667634|3.291231|3.884704|0.072073|2.848191|4.200648|7.377379|4.171880|32.336735|7.358809|0.246200|7.844427|8.690776|6.347808|0.134472|12.317063|0.183507|17.700463|8.808195|6.810245|13.205816|8.468268|5.408900|4.135068|3.450790|3.422780|4.029205|5.283437|3.497791|0.050941|0.054955|0.049499|0.056760|0.062413|0.060845|0.069499|0.091147|0.081362|0.102270|0.119613|0.093846|0.125828|0.136399|0.301457|0.500000| |1.921381|2.107248|2.302120|2.146665|2.228318|2.538034|2.876461|3.394120|3.502780|3.995185|0.077127|2.690500|3.657301|5.760566|4.230980|30.532226|4.933281|0.136227|5.125698|5.279264|4.772485|0.120183|9.354849|0.222589|8.795113|17.555229|8.838256|10.541405|13.588233|4.469946|4.249619|3.585504|3.242587|3.321083|3.843618|2.792956|0.049801|0.056112|0.050171|0.054169|0.062492|0.053854|0.056764|0.070747|0.090164|0.118217|0.140812|0.098535|0.095304|0.090594|0.211728|0.172659|0.500000| |2.016962|2.277962|2.498838|2.345934|2.427223|2.729122|3.046981|3.439152|3.474404|4.155139|0.080141|2.874200|3.535960|5.710906|3.691304|25.477809|4.406717|0.133987|4.769065|5.012756|4.133003|0.099274|7.559662|0.150178|9.042947|17.534722|8.948575|11.826762|11.919646|4.011021|3.603490|3.204339|3.111557|3.348349|3.825960|2.957242|0.052078|0.057891|0.052653|0.059176|0.068146|0.058957|0.061860|0.075313|0.085519|0.116661|0.117756|0.085929|0.085782|0.086830|0.221293|0.211987|0.304805|0.500000| |1.382961|1.469268|1.594762|1.550570|1.647287|1.840137|1.944371|2.187251|2.124288|2.528825|0.048956|1.784420|2.496241|4.322963|2.861340|25.587922|4.053302|0.096038|5.414635|6.413516|7.090568|0.222435|7.557562|0.168176|4.580028|3.894378|3.168889|5.181336|5.172838|8.883279|17.693776|8.922550|5.652146|4.919468|5.627714|3.538942|0.036935|0.040026|0.036400|0.038621|0.042121|0.039866|0.043631|0.053409|0.057726|0.064122|0.081690|0.072601|0.111898|0.122199|0.142667|0.105560|0.119714|0.095568|0.500000| |1.219948|1.296488|1.384968|1.351518|1.418489|1.548535|1.617747|1.769540|1.739660|2.136392|0.041949|1.516234|1.942391|3.385489|2.134021|17.661165|2.783476|0.070560|3.782444|4.471681|4.120689|0.114261|4.775061|0.100154|3.376391|3.017041|2.474890|4.074393|4.109696|5.650345|8.920116|17.730328|8.930195|5.622901|4.960331|4.093297|0.032591|0.034984|0.032441|0.034458|0.037285|0.035211|0.037904|0.044497|0.047068|0.052271|0.061289|0.054963|0.076458|0.089613|0.110111|0.082206|0.090953|0.080107|0.215541|0.500000| |1.178379|1.264485|1.350219|1.332435|1.400927|1.511274|1.551725|1.660714|1.614392|2.020976|0.039687|1.456882|1.798160|3.184410|1.901533|15.329165|2.512871|0.066069|3.489404|4.239280|3.564075|0.091716|4.167455|0.082280|3.168326|2.764749|2.275773|3.845774|3.707775|4.959599|5.654869|8.952132|17.708578|8.908494|5.663944|7.024095|0.031559|0.033432|0.031389|0.033957|0.036310|0.034972|0.037793|0.043474|0.043062|0.048227|0.054189|0.048661|0.068416|0.086908|0.106132|0.081298|0.078881|0.076826|0.124426|0.216095|0.500000| |1.462427|1.601877|1.776187|1.785993|1.949896|2.163916|2.173396|2.332068|2.142192|2.634119|0.050201|1.948251|2.639392|4.863970|2.690025|22.658220|4.431487|0.118206|6.629836|10.096156|6.981563|0.143131|7.372632|0.122408|5.722790|3.990011|3.256263|5.912902|4.867469|8.911867|5.644914|4.960215|5.662683|8.934002|17.728748|6.993985|0.039333|0.041399|0.038210|0.042848|0.045526|0.046114|0.052704|0.064241|0.055636|0.063694|0.074261|0.065838|0.116093|0.199001|0.191545|0.164939|0.101465|0.106338|0.123933|0.107664|0.124350|0.500000| |1.176585|1.272497|1.371182|1.378514|1.468512|1.573424|1.574438|1.651143|1.566699|1.985392|0.038691|1.462592|1.789796|3.254947|1.826812|14.652536|2.483217|0.066917|3.606419|4.482368|3.354534|0.083127|3.884206|0.072862|2.994316|2.517389|2.142548|3.781662|3.419046|4.308865|3.974982|4.587613|6.675628|8.856389|5.918853|17.555374|0.031744|0.033078|0.031223|0.034482|0.036208|0.036372|0.040179|0.045776|0.041364|0.046133|0.051008|0.046564|0.069168|0.096049|0.097027|0.082669|0.067998|0.070615|0.090554|0.108014|0.188513|0.153616|0.500000| |1.300305|1.422862|1.547642|1.563113|1.677471|1.804264|1.795226|1.875003|1.758392|2.228285|0.043143|1.654257|2.033895|3.722121|2.041151|16.251716|2.873944|0.079331|4.150651|5.281240|3.791120|0.089351|4.498672|0.081505|3.644128|2.951131|2.484255|4.455851|3.865997|4.734437|3.956073|4.166097|5.568196|8.832612|7.235280|17.589370|0.035025|0.036449|0.034343|0.038580|0.040513|0.041081|0.045885|0.052680|0.045820|0.051955|0.056965|0.051237|0.076799|0.110181|0.119497|0.104754|0.076971|0.083870|0.090075|0.095914|0.140692|0.222266|0.301864|0.500000| |1.242633|1.354136|1.452796|1.450268|1.531204|1.636907|1.653695|1.734734|1.663392|2.114903|0.041388|1.550169|1.854182|3.326614|1.889756|14.823761|2.527917|0.069388|3.517291|4.305231|3.316115|0.080653|4.059698|0.076463|3.332697|2.848627|2.358118|4.099153|3.747212|4.274188|3.964257|4.612060|6.774695|8.850099|5.843315|17.559779|0.033305|0.034885|0.033048|0.036699|0.038858|0.038231|0.041617|0.047121|0.043571|0.049563|0.053619|0.047781|0.066410|0.087688|0.111915|0.091321|0.076638|0.082638|0.090232|0.108790|0.194119|0.150861|0.302336|0.301725|0.500000| 1763.583001 -10986.737018 4234.605785 -211.275018 -5199.823250 3434.476879 -1765.346371 2.001000 40AD100000000001 44B20A9C54E0525C 44332A1378F6C815 4200CABCA8000004 BBFD83C93FFFFFFF 43BB282D1FEFB213