Version2.0 2020-01-14T03:32:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 16-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cn1cnc(c1C[C@H](C(=O)[O-])[NH3+])Sc2c(cc(c3c2C[C@H]([NH2+][C@H]3Cc4ccc(cc4)O)C(=O)[O-])O)O C05545536 RHF 6-31G(d) (6D,7F) Cn1cnc(c1C[C@H](C(=O)[O-])[NH3+])Sc2c(cc(c3c2C[C@H]([NH2+][C@H]3Cc4ccc(cc4)O)C(=O)[O-])O)O C01[X(C24H26N4O7S1)] 180 C1 596 Oc1ccc(cc1)C[C@@H]1[NH2+][C@@H](Cc2c1c(O)cc(c2Sc1ncn(c1C[C@H](C(=O)[O-])[NH3+])C)O)C(=O)[O-] Oc1ccc(cc1)C[C@@H]1[NH2+][C@@H](Cc2c1c(O)cc(c2Sc1ncn(c1C[C@H](C(=O)[O-])[NH3+])C)O)C(=O)[O-] Cn1cnc(Sc2c(O)cc(O)c3[C@H](Cc4ccc(O)cc4)[NH2+][C@@H](Cc23)C([O-])=O)c1C[C@@H]([NH3+])C([O-])=O InChIKey=BBIABWPNIDKRLX-PMPSAXMXSA-N InChI=1S/C24H26N4O7S/c1-28-10-26-22(17(28)8-14(25)23(32)33)36-21-13-7-16(24(34)35)27-15(20(13)18(30)9-19(21)31)6-11-2-4-12(29)5-3-11/h2-5,9-10,14-16,27,29-31H,6-8,25H2,1H3,(H,32,33)(H,34,35)/t14-,15+,16+/m1/s1 InChI=1/C24H26N4O7S/c1-28-10-26-22(17(28)8-14(25)23(32)33)36-21-13-7-16(24(34)35)27-15(20(13)18(30)9-19(21)31)6-11-2-4-12(29)5-3-11/h2-5,9-10,14-16,27,29-31H,6-8,25H2,1H3,(H,32,33)(H,34,35)/t14-,15+,16+/m1/s1/f/h25,27H Cn1cnc(c1C[C@H](C(=O)[O-])[NH3+])Sc2c(cc(c3c2C[C@H]([NH2+][C@H]3Cc4ccc(cc4)O)C(=O)[O-])O)O C01[X(C24H26N4O7S1)] 180 C01 596 Oc1ccc(cc1)C[C@@H]1[NH2+][C@@H](Cc2c1c(O)cc(c2Sc1ncn(c1C[C@H](C(=O)[O-])[NH3+])C)O)C(=O)[O-] Oc1ccc(cc1)C[C@@H]1[NH2][C@@H](Cc2c1c(O)cc(c2Sc1ncn(c1C[C@H](C(O)O)[NH3])C)O)C(=O)O Cn1cnc(Sc2c(O)cc(O)c3[C@H](Cc4ccc(O)cc4)[NH2][C@@H](Cc23)C(O)=O)c1C[C@@H]([NH3])C(O)O InChIKey=TTWYAXOFTKVCFD-PMPSAXMXSA-N InChI=1S/C24H30N4O7S/c1-28-10-26-22(17(28)8-14(25)23(32)33)36-21-13-7-16(24(34)35)27-15(20(13)18(30)9-19(21)31)6-11-2-4-12(29)5-3-11/h2-5,9-10,14-16,23,29-33H,6-8,27H2,1,25H3,(H,34,35)/t14-,15+,16+/m1/s1 InChI=1/C24H30N4O7S/c1-28-10-26-22(17(28)8-14(25)23(32)33)36-21-13-7-16(24(34)35)27-15(20(13)18(30)9-19(21)31)6-11-2-4-12(29)5-3-11/h2-5,9-10,14-16,23,29-33H,6-8,27H2,1,25H3,(H,34,35)/t14-,15+,16+/m1/s1/f/h34H 4169.7484525269 -2063.2984529 1-A 21495.1006 135 461 596 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97195 -20.63963 -20.61448 -20.61354 -20.50346 -20.50131 -20.46916 -20.46293 -15.71654 -15.65803 -15.63135 -15.55515 -11.34842 -11.34437 -11.34211 -11.34111 -11.32657 -11.30790 -11.30743 -11.29776 -11.29613 -11.28296 -11.28251 -11.27777 -11.27754 -11.27411 -11.27299 -11.26934 -11.26683 -11.26651 -11.26499 -11.26338 -11.25646 -11.25479 -11.25266 -11.25178 -8.98033 -6.66343 -6.66196 -6.66038 -1.46050 -1.44188 -1.43492 -1.40304 -1.36780 -1.36404 -1.36011 -1.29815 -1.28933 -1.25484 -1.20457 -1.19573 -1.18779 -1.12702 -1.09950 -1.09515 -1.07055 -1.05265 -1.04997 -1.01202 -0.99211 -0.98645 -0.94779 -0.93107 -0.92328 -0.89822 -0.87771 -0.86458 -0.85425 -0.83904 -0.81809 -0.79872 -0.78554 -0.77914 -0.77462 -0.76636 -0.76092 -0.74160 -0.73003 -0.71440 -0.70726 -0.70072 -0.69933 -0.69750 -0.68714 -0.68025 -0.66167 -0.65724 -0.65214 -0.64908 -0.64338 -0.63457 -0.62541 -0.62284 -0.61858 -0.61733 -0.61610 -0.61417 -0.60763 -0.60440 -0.59849 -0.59547 -0.58726 -0.58390 -0.58200 -0.57143 -0.56878 -0.56346 -0.55977 -0.55532 -0.55370 -0.54453 -0.54058 -0.53853 -0.53240 -0.51742 -0.51526 -0.50538 -0.50312 -0.49362 -0.47437 -0.44546 -0.42121 -0.41536 -0.40173 -0.40114 -0.38482 -0.38087 -0.36979 -0.36519 -0.36192 -0.35661 -0.34021 -0.33260 -0.31066 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0.19532 0.20534 0.21125 0.22029 0.22423 0.22880 0.23886 0.24396 0.25340 0.25682 0.26200 0.26438 0.27054 0.27285 0.27749 0.28228 0.28785 0.29274 0.29350 0.31049 0.31577 0.31968 0.32460 0.32527 0.33337 0.33820 0.34626 0.34811 0.35358 0.35740 0.36680 0.37095 0.37686 0.38234 0.38815 0.39779 0.40405 0.41770 0.41955 0.43371 0.43725 0.44892 0.45547 0.46280 0.46538 0.46951 0.48937 0.49057 0.49727 0.50151 0.50870 0.51143 0.51449 0.52922 0.53049 0.54115 0.55893 0.56940 0.57694 0.58564 0.59691 0.61046 0.63710 0.64417 0.64765 0.66859 0.67300 0.67697 0.68186 0.69111 0.69230 0.69884 0.70504 0.71207 0.72139 0.72814 0.72870 0.73330 0.73530 0.74537 0.74916 0.76187 0.77440 0.77883 0.78427 0.79176 0.79879 0.79925 0.80613 0.80688 0.81350 0.81465 0.81944 0.83170 0.84475 0.84818 0.85351 0.85417 0.86202 0.86401 0.87349 0.87501 0.87743 0.88413 0.88492 0.89016 0.89901 0.91023 0.91783 0.92130 0.92746 0.93327 0.93675 0.95318 0.95764 0.96123 0.96440 0.97576 0.97780 0.98283 0.98483 0.99498 0.99786 1.00306 1.00504 1.01396 1.01547 1.02424 1.02962 1.04034 1.04890 1.05472 1.06025 1.06823 1.07363 1.07403 1.07882 1.08525 1.08772 1.09331 1.09567 1.09675 1.10524 1.11075 1.11525 1.11905 1.12253 1.12639 1.13034 1.13537 1.13758 1.14310 1.14614 1.15036 1.15358 1.15436 1.16236 1.16550 1.17374 1.17705 1.18387 1.18757 1.19005 1.19582 1.19915 1.20464 1.20701 1.21649 1.22031 1.22178 1.22457 1.23299 1.23555 1.24206 1.24814 1.25461 1.25754 1.26507 1.27301 1.27494 1.28888 1.29396 1.29580 1.30206 1.30734 1.31658 1.32939 1.33371 1.33850 1.34485 1.35921 1.37020 1.38279 1.39123 1.39655 1.40157 1.40892 1.41290 1.42444 1.42662 1.43654 1.44539 1.45844 1.46600 1.46899 1.47378 1.49108 1.50014 1.50312 1.52227 1.53061 1.53937 1.55221 1.55997 1.56808 1.57569 1.58295 1.59313 1.60447 1.60630 1.62069 1.62155 1.62524 1.63318 1.64048 1.64717 1.67190 1.68245 1.69075 1.69427 1.70417 1.71284 1.71347 1.72857 1.73231 1.74353 1.76055 1.76419 1.76656 1.77694 1.78932 1.79692 1.80206 1.80334 1.82640 1.83861 1.85947 1.87061 1.87675 1.88989 1.89772 1.91631 1.92626 1.93120 1.95238 1.96199 1.96925 1.98103 2.00272 2.00489 2.00734 2.00954 2.02112 2.03592 2.04011 2.04404 2.05949 2.06676 2.06875 2.07640 2.09065 2.09291 2.10392 2.11450 2.11822 2.12471 2.12481 2.13474 2.14233 2.15324 2.16121 2.16515 2.16980 2.18003 2.18153 2.19071 2.19923 2.20202 2.20942 2.21857 2.22442 2.22623 2.23545 2.23933 2.24258 2.24644 2.25450 2.25838 2.26613 2.27185 2.28254 2.28584 2.29072 2.29850 2.30115 2.32171 2.32632 2.33317 2.34188 2.34934 2.35753 2.36365 2.37931 2.38649 2.39277 2.39530 2.42050 2.42592 2.43605 2.43845 2.44507 2.46327 2.47104 2.47891 2.48385 2.48607 2.49171 2.51028 2.52413 2.53296 2.54551 2.55885 2.56229 2.57237 2.57904 2.59065 2.59972 2.60441 2.60815 2.62163 2.63901 2.65325 2.65773 2.66385 2.67177 2.67546 2.68868 2.70104 2.71154 2.72878 2.72998 2.73653 2.74719 2.75329 2.77142 2.77723 2.78313 2.79125 2.80480 2.80861 2.81636 2.83421 2.83698 2.83860 2.86184 2.86821 2.88276 2.90495 2.91613 2.92422 2.93586 2.94354 2.96058 2.96160 2.96992 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0.7277 0.1644 0.3438 0.6645 0.7933 0.8263 0.8568 0.5110 0.3381 0.4325 0.2939 0.8550 0.6446 0.8331 0.1206 0.7082 0.4035 0.3636 0.6861 0.6808 0.8571 0.8560 0.7592 0.8489 0.7654 0.8306 0.7815 0.7212 0.4631 0.7898 0.2734 0.4868 0.7796 0.8006 0.8498 0.6583 0.8531 0.6372 0.8306 0.7928 0.7609 0.2405 0.2408 0.0583 0.1021 0.4703 0.4414 0.3108 0.6049 0.7450 0.4114 0.3910 0.8471 0.5887 0.8211 0.3036 0.4491 0.3948 0.2448 0.4063 0.7105 0.1571 0.8374 0.6609 0.2821 0.4471 0.4434 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 6 7 6 7 6 6 6 6 1 6 8 8 7 1 1 1 16 6 6 6 6 6 6 6 6 1 7 1 1 6 1 6 6 6 6 6 6 6 8 6 8 8 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 15.99491 14.00307 1.00783 1.00783 1.00783 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 14.00307 1.00783 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 15.99491 15.99491 15.99491 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 1.00783 1.00783 12852.2834 29359.1418 37041.5982 1.00000 -0.00210 0.00165 0.00211 0.99999 -0.00423 -0.00165 0.00423 0.99999 1 0.00674 0.00295 0.00234 0.14042 0.06147 0.04872 21.23 28.94 33.98 49.53 53.21 66.01 74.26 86.63 107.26 118.13 123.36 138.97 147.62 172.43 184.14 190.81 215.79 245.05 256.52 272.51 292.18 340.59 361.48 376.88 403.92 418.03 442.06 447.98 456.33 482.00 485.31 503.68 525.33 531.88 544.35 559.64 576.73 595.13 608.34 640.56 654.78 663.38 669.53 681.04 710.70 733.92 765.53 767.24 771.74 824.94 831.05 842.54 891.58 916.62 946.47 970.89 984.41 1006.07 1013.67 1023.80 1078.40 1084.85 1114.59 1122.87 1141.06 1165.05 1177.14 1224.07 1245.03 1250.01 1259.39 1321.78 1331.65 1344.83 1345.47 1350.10 1371.58 1410.33 1414.60 1426.80 1481.36 1482.08 1507.66 1535.34 1565.63 1572.14 1581.66 1596.95 1611.42 1634.79 1651.38 1659.24 1713.63 1722.57 1729.24 1737.05 1744.56 1766.07 1792.09 1803.25 1817.30 1838.15 1849.33 1864.62 1869.30 1897.48 1909.96 1928.54 1946.62 1955.53 1975.64 1978.01 1992.44 2011.40 2036.14 2039.07 2044.24 2061.39 2076.26 2111.75 2136.36 2158.25 2162.90 2167.95 2170.86 2180.32 2216.84 2225.34 2228.65 2230.37 2238.56 2286.02 2308.35 2315.74 2326.77 2342.38 2343.70 2367.45 2384.26 2387.87 2397.44 2404.39 2442.23 2463.10 2498.23 2568.97 2574.63 2590.89 2614.29 2622.94 2623.33 2665.87 2788.32 2822.02 4619.93 4624.82 4638.75 4660.88 4699.41 4711.31 4718.19 4737.65 4743.79 4808.26 4810.89 4815.55 4826.32 4826.89 4843.37 4860.33 4888.93 4895.25 4946.84 4962.77 5297.17 5372.51 5406.85 5800.36 5904.83 5916.89 0.533155 0.564408 0.565353 0.467451 -2062.765298 -2062.734045 -2062.733100 -2062.831002 3.283649D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2020 DUDE Cn1cnc(c1C[C@H](C(=O)[O-])[NH3+])Sc2c(cc(c3c2C[C@H]([NH2+][C@H]3Cc4ccc(cc4)O)C(=O)[O-])O)O C05545536 RHF 6-31G(d) (6D,10F) C1 514.152221 |X|Y|Z| 119.772518 74.580100 39.841321 70.866006 23 6 7 16 19 3 1 |36.858105| |13.060814|53.358707| |7.667853|19.252271|36.858105| |5.305779|11.778317|14.777867|53.358707| |5.294092|11.980236|9.072526|18.982928|36.858105| |7.449988|18.839366|8.725940|11.510979|13.977532|36.858105| |6.068299|10.181300|5.240760|6.956378|7.293312|12.661143|36.858105| |5.625951|7.946961|4.269708|5.458290|5.064054|7.321583|12.334861|36.858105| |6.394554|8.756590|4.666341|5.745231|5.068816|7.204660|8.728411|17.609449|0.500000| |5.086858|6.255994|3.482346|4.340310|3.753855|5.038045|7.294056|12.067875|0.244810|36.858105| |5.933279|6.674042|3.644314|4.396612|3.692330|5.001438|6.664732|8.061842|0.189760|15.621782|73.516695| |3.889378|4.896687|2.887675|3.682964|3.136477|3.929963|5.299679|8.095099|0.183649|15.487971|15.128906|73.516695| |3.946204|5.722725|3.414094|4.613341|4.243100|5.242874|7.490459|12.725711|0.255903|7.784257|9.545782|13.518902|53.358707| |3.683438|5.470138|3.387640|4.660105|4.232048|4.936652|6.145887|8.802327|0.229247|5.737667|7.706968|10.112383|25.321749|0.500000| |3.542383|5.255493|3.208731|4.457765|4.179394|4.961090|7.283450|9.103079|0.182725|6.512381|8.589697|11.440749|25.779123|0.322544|0.500000| |3.622758|4.973929|2.999816|3.978371|3.506608|4.269252|5.798912|9.593466|0.212879|8.496513|9.797859|18.699274|25.270391|0.313498|0.325294|0.500000| |3.600511|6.650000|5.017111|9.454931|10.767054|6.778985|5.549955|4.136485|0.109305|3.181538|5.404599|4.972755|5.343702|0.110907|0.115042|0.090227|388.023441| |3.054521|5.384778|4.358771|8.147085|6.837506|4.783211|3.961413|3.352237|0.093535|2.644800|4.460795|4.262449|4.514475|0.098900|0.094053|0.078238|75.904261|36.858105| |2.638265|4.493024|3.747140|6.798380|5.063529|3.749732|3.166788|2.719947|0.075856|2.242960|3.850295|3.648536|3.642605|0.078495|0.076051|0.064998|49.601690|13.676171|36.858105| |2.306156|3.788950|3.139132|5.336173|3.844156|3.051516|2.646089|2.368783|0.066903|1.988861|3.404617|3.285178|3.221896|0.070236|0.066631|0.058457|33.582030|7.899758|13.702406|36.858105| |2.269702|3.677609|2.995259|4.919882|3.582903|2.944319|2.586736|2.392600|0.068571|1.997895|3.378723|3.332174|3.313075|0.073841|0.067674|0.060240|29.745963|6.870836|7.968411|13.879047|36.858105| |2.530667|4.140233|3.305420|5.399441|4.075989|3.375987|2.963313|2.787941|0.080965|2.265267|3.769974|3.776325|3.916470|0.089790|0.079000|0.070156|33.073148|7.831712|6.804387|7.863380|13.583472|36.858105| |2.962587|5.057516|3.980917|6.819239|5.574941|4.371776|3.748905|3.407350|0.097961|2.657944|4.389529|4.355410|4.758979|0.109477|0.096641|0.082449|48.309768|13.595695|7.908565|6.870032|7.968564|13.699917|36.858105| |3.276535|5.522454|4.029200|6.413606|5.662272|4.951112|4.467561|4.300112|0.125660|3.176035|5.061063|5.225369|6.299408|0.155681|0.124179|0.105084|43.604503|7.596002|5.032481|4.451243|5.041501|7.594499|12.627401|36.858105| |2.753661|4.350246|3.145145|4.736384|3.930351|3.678118|3.530336|3.659116|0.107698|2.849387|4.491163|4.885014|5.688046|0.145871|0.110964|0.099723|29.776772|5.041871|3.896493|3.773083|4.542069|6.727879|7.577490|12.609024|36.858105| |2.442319|3.823285|2.770229|4.202628|3.497104|3.247843|3.193808|3.256057|0.092633|2.606979|4.124067|4.530307|5.159005|0.128159|0.104820|0.091874|28.172871|4.780610|3.830465|3.779436|4.551967|6.375406|6.763044|8.846757|17.588669|0.500000| |2.556698|3.983387|2.992812|4.465140|3.455913|3.188733|2.948891|3.033473|0.091369|2.456834|3.971423|4.201789|4.458801|0.108592|0.086147|0.081079|25.193908|4.505109|3.748185|3.885993|5.035428|7.679488|6.730312|7.866509|12.799421|0.254121|53.358707| |2.328883|3.534160|2.623679|3.829167|2.952150|2.793896|2.648111|2.782812|0.083555|2.309966|3.724408|4.019008|4.149871|0.100746|0.080055|0.077266|21.435958|3.660697|3.157665|3.306067|4.178030|5.681706|5.008587|5.790648|9.343103|0.220012|25.663271|0.500000| |2.796619|4.344281|3.281889|4.794211|3.622250|3.387767|3.064120|3.188778|0.099066|2.571791|4.177049|4.354669|4.547889|0.110350|0.085798|0.082898|24.860127|4.318781|3.588781|3.648985|4.553630|6.583356|6.163759|7.381718|9.427740|0.182727|25.729383|0.336383|0.500000| |2.343718|3.692177|2.877618|4.427391|3.319616|2.932436|2.653476|2.618067|0.077321|2.161104|3.566432|3.667290|3.748833|0.087564|0.074258|0.068503|25.208885|4.942040|4.408142|5.019702|7.571385|12.494905|7.407198|6.373293|7.496188|0.192957|17.338973|0.252548|0.255473|36.858105| |2.095790|3.253736|2.502420|3.817996|2.899128|2.596157|2.410793|2.389009|0.069462|2.004212|3.301380|3.443143|3.481131|0.080842|0.069873|0.064312|22.631636|4.276169|3.958018|4.600412|6.745528|8.863645|5.886308|5.233112|6.512282|0.193629|12.524429|0.231690|0.183250|17.594552|0.500000| |2.238073|3.458111|2.750907|4.120366|2.939371|2.632850|2.352052|2.334424|0.069917|1.972529|3.304060|3.341823|3.252496|0.074497|0.063693|0.060534|21.161126|3.936281|3.732090|4.332192|6.075700|7.373903|5.153786|4.569439|5.006782|0.126266|10.637114|0.191209|0.213548|12.333361|0.245280|36.858105| |2.015487|3.022960|2.348723|3.409445|2.459944|2.281054|2.093501|2.130714|0.063894|1.837304|3.067069|3.161142|3.004903|0.068843|0.058547|0.057005|17.540104|3.056901|2.896525|3.260556|4.209036|4.852176|3.822326|3.691594|4.319142|0.111549|8.837212|0.194910|0.178206|7.465723|0.193396|12.566416|36.858105| |2.061855|3.030986|2.328687|3.288120|2.364044|2.247934|2.074066|2.155785|0.065626|1.876015|3.130048|3.240932|3.022462|0.069270|0.058006|0.057998|16.325820|2.729868|2.545026|2.756902|3.371669|3.911599|3.341471|3.409310|3.976424|0.099552|7.704309|0.176893|0.172512|5.413894|0.136959|7.504610|13.747049|36.858105| |1.842530|2.658626|2.015523|2.813439|2.037933|1.967700|1.849934|1.942029|0.058676|1.724294|2.878176|3.015611|2.741665|0.062308|0.052746|0.053447|14.132997|2.297269|2.160464|2.322434|2.759404|3.102958|2.730117|2.820395|3.295498|0.085125|5.837960|0.138344|0.125223|4.049283|0.109252|4.987643|7.871439|13.724728|36.858105| |1.652374|2.387911|1.807719|2.545667|1.856846|1.784175|1.693028|1.764022|0.052495|1.577262|2.634553|2.773626|2.512526|0.056761|0.048943|0.049113|13.155217|2.140271|2.043091|2.223930|2.640008|2.889005|2.514349|2.554056|2.993149|0.080351|5.136189|0.122161|0.104133|3.731191|0.106796|4.414956|6.805666|7.947220|13.775303|36.858105| |1.625535|2.379928|1.814022|2.596465|1.899051|1.797515|1.700718|1.747223|0.051503|1.551587|2.592666|2.718969|2.498226|0.056427|0.049189|0.048428|13.744957|2.283967|2.209356|2.461989|2.986280|3.207903|2.696751|2.661557|3.125883|0.086154|5.425273|0.127499|0.105143|4.235027|0.127946|5.007176|7.867812|6.897146|7.940445|13.691621|36.858105| |1.770767|2.636147|2.032157|2.954347|2.153577|2.003332|1.869838|1.898377|0.056034|1.659863|2.773032|2.881691|2.705488|0.061451|0.053368|0.051750|15.722077|2.703794|2.621415|2.992128|3.800657|4.116927|3.275614|3.136466|3.685295|0.101062|6.814887|0.155631|0.128787|5.860728|0.179604|7.537266|13.639524|8.001053|6.901407|7.954680|13.830154|36.858105| |1.504772|2.150050|1.616005|2.258567|1.652107|1.602277|1.536281|1.607497|0.047575|1.458225|2.440873|2.582815|2.292167|0.051328|0.044757|0.045274|11.700103|1.865896|1.788718|1.928113|2.235113|2.409976|2.147847|2.195342|2.538906|0.068925|4.138382|0.096800|0.083903|2.975350|0.085666|3.365351|4.595539|5.219165|7.941083|14.139750|8.143605|5.287672|73.516695| |2.820991|4.265902|2.953200|4.220767|3.506868|3.544217|3.591801|4.074095|0.122643|3.189951|4.873643|5.635050|6.737183|0.187193|0.124195|0.121217|24.911784|3.778094|3.037381|2.909091|3.333416|4.400350|4.894084|7.477762|12.288851|0.242768|10.581197|0.209657|0.204065|4.949399|0.125887|3.923249|3.712475|3.716849|3.234596|2.894970|2.887654|3.215709|4.475325|36.858105| |2.609781|3.838510|2.694204|3.773041|3.009662|3.051739|3.043985|3.469857|0.106741|2.854050|4.435331|5.094112|5.458937|0.141302|0.100018|0.103488|20.876849|3.206659|2.685954|2.642014|3.059664|3.925909|4.066987|5.467124|8.151135|0.178735|10.223665|0.239092|0.211611|4.738057|0.121665|4.037632|4.094504|4.342905|3.840915|3.343770|3.220772|3.502567|5.134567|15.612489|73.516695| |2.985662|4.482766|2.985961|4.228838|3.654674|3.852541|4.182180|4.998103|0.144354|3.793932|5.571276|6.824911|9.412212|0.303039|0.169684|0.163572|26.008013|3.652827|2.912426|2.707260|2.980546|3.778008|4.421258|6.713608|8.151706|0.191475|7.294818|0.141810|0.144087|3.931113|0.101890|3.200934|3.005757|3.006461|2.684377|2.443483|2.438830|2.673029|3.870968|15.445885|15.123182|73.516695| 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|17.575643|12.354670|6.500731|6.402570|4.613034|6.057448|5.162741|5.392080|0.187199|4.881422|9.533872|6.892015|5.332378|0.104382|0.094938|0.101602|23.280419|2.914515|2.516373|2.244934|2.253820|2.542264|2.927872|3.297694|2.840319|0.069032|3.643838|0.068183|0.082881|2.411607|0.059601|2.331887|2.122574|2.209334|1.974532|1.750030|1.703068|1.847855|2.830244|2.976951|4.992826|5.525620|3.541818|4.232384|0.500000| |17.665691|12.380278|5.712098|6.062240|4.791828|7.002876|6.915530|6.620891|0.193633|6.619220|15.562634|8.343400|5.930354|0.107853|0.108578|0.113109|24.598641|2.861096|2.467786|2.156983|2.122030|2.363597|2.772234|3.113283|2.652308|0.066144|3.285886|0.061653|0.072248|2.198914|0.055314|2.073825|1.886733|1.926637|1.739878|1.572744|1.548310|1.676023|2.562524|2.767154|4.514942|5.352200|3.318981|4.251088|0.300778|0.500000| |17.612556|12.484141|7.113094|6.663964|4.571445|5.746079|4.744938|4.313959|0.130399|4.114033|8.690537|5.842868|4.411855|0.084741|0.082936|0.084070|23.021720|2.789110|2.483108|2.185543|2.128600|2.323463|2.666530|2.849637|2.427802|0.060604|3.126322|0.058456|0.069412|2.149109|0.053684|2.083222|1.880956|1.921134|1.726198|1.555125|1.531184|1.662828|2.528752|2.453619|4.088187|4.553809|3.344134|4.335638|0.300247|0.300253|0.500000| |6.923032|12.257885|17.778893|12.361164|6.058670|5.942895|4.140958|3.590959|0.109992|3.080908|5.812515|4.627802|3.999356|0.081296|0.076545|0.073575|28.317141|3.676293|3.316451|2.882893|2.766469|2.991535|3.434949|3.423681|2.794753|0.068838|3.733597|0.067736|0.084154|2.665885|0.064682|2.633214|2.273416|2.277422|1.980993|1.771114|1.766402|1.967077|2.824335|2.649823|4.408229|4.696358|4.243478|5.717704|0.173930|0.141056|0.203519|0.500000| |4.562778|7.667269|4.476576|6.440489|7.014393|9.099654|17.572602|8.774677|0.180419|5.809500|9.158654|8.386741|10.192581|0.174448|0.237780|0.155755|46.424577|4.341849|3.408626|2.805245|2.721901|3.116074|4.023481|4.784776|3.729990|0.096254|4.112103|0.075122|0.084906|2.743034|0.070013|2.374248|2.103288|2.052844|1.831663|1.693366|1.718571|1.896782|2.729712|3.692000|5.427165|7.776433|4.082834|5.738038|0.112052|0.138309|0.105586|0.099988|0.500000| |6.106816|9.161076|4.776704|6.126962|5.863958|9.005422|17.606638|8.955100|0.185615|7.552380|14.280413|9.408926|7.984659|0.132836|0.163757|0.140029|33.044762|3.379860|2.824853|2.381977|2.301584|2.568946|3.145581|3.577679|2.941857|0.075372|3.440879|0.063965|0.072781|2.315926|0.059087|2.089212|1.878130|1.865956|1.682281|1.548243|1.552725|1.693574|2.518060|2.999374|4.647041|6.104705|3.532157|4.910685|0.136921|0.212996|0.138529|0.108817|0.304305|0.500000| |2.093568|3.377996|2.797190|4.635276|3.284828|2.672923|2.346019|2.107802|0.059308|1.804700|3.114299|2.992865|2.856429|0.061607|0.059205|0.052455|27.907234|5.642204|8.953355|17.723081|8.905372|5.599436|4.951180|3.558233|3.128461|0.087825|4.416597|0.079138|0.085426|4.093981|0.108121|3.747479|2.936221|2.500305|2.144275|2.078428|2.307797|2.764157|3.237220|2.505850|4.111322|4.180684|12.827821|13.493847|0.056508|0.054571|0.055845|0.072780|0.068722|0.059713|0.500000| |3.317853|5.595077|3.903963|6.184599|5.950787|5.372507|5.220463|4.887457|0.134362|3.502640|5.482056|5.755790|7.525580|0.185055|0.155964|0.119990|50.241376|7.159824|4.749360|4.027352|4.286485|5.743956|8.932482|17.681910|9.044837|0.217660|7.745172|0.128836|0.147891|4.845615|0.119397|3.659267|3.085766|2.886255|2.468879|2.272109|2.361555|2.716710|3.540757|6.764913|8.572714|12.823109|6.066606|6.823628|0.090607|0.090122|0.079566|0.090732|0.167259|0.112936|0.091615|0.500000| 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|2.088506|3.229362|2.603401|3.939513|2.771328|2.450718|2.183391|2.132181|0.063104|1.821523|3.079418|3.080474|2.948771|0.066473|0.058385|0.055052|20.300934|3.819387|3.847171|4.751014|6.811201|6.882285|4.710791|3.945872|4.120956|0.108464|7.693589|0.141622|0.151468|8.898580|0.210239|17.674855|8.900899|5.760370|4.246850|3.975094|4.677467|6.958640|5.545692|3.278552|5.885379|4.936316|14.839562|5.527314|0.059775|0.053791|0.054665|0.069796|0.061498|0.054473|0.117503|0.090876|0.104514|0.304679|0.500000| |2.285020|3.350954|2.581936|3.595539|2.556636|2.448851|2.231732|2.333311|0.072265|2.018992|3.375239|3.460823|3.221708|0.073901|0.061067|0.061671|17.150206|2.837577|2.606518|2.763719|3.319429|3.919444|3.468326|3.609699|4.079379|0.098286|7.762627|0.167265|0.193381|5.154873|0.123264|6.922209|8.904205|17.690873|8.973327|5.666150|4.962805|5.659410|7.498468|3.896754|8.120858|5.611781|5.919368|3.968040|0.068951|0.058687|0.058899|0.070535|0.060559|0.055552|0.069111|0.084026|0.106088|0.217430|0.146729|0.500000| |1.838215|2.613349|1.966333|2.703449|1.955328|1.914690|1.808994|1.919712|0.058340|1.722776|2.880393|3.023774|2.695613|0.060951|0.051500|0.053049|13.364599|2.126708|1.991693|2.107050|2.449169|2.746927|2.490176|2.614992|3.008366|0.077102|5.099333|0.118541|0.112037|3.436882|0.091673|4.073876|5.620966|8.907650|17.699338|8.907037|5.639044|4.965352|12.698143|3.066044|6.548272|4.597535|4.507403|3.126590|0.055201|0.048266|0.047902|0.054033|0.049345|0.045910|0.054232|0.064352|0.074668|0.112401|0.098055|0.217213|0.500000| |1.497544|2.186026|1.661674|2.380541|1.747479|1.655662|1.577739|1.615588|0.047217|1.445989|2.420519|2.543383|2.316402|0.051955|0.045935|0.045087|12.771397|2.103339|2.056212|2.294508|2.737924|2.870558|2.439634|2.394413|2.781127|0.078284|4.616661|0.106590|0.088535|3.630800|0.112306|4.080339|5.604680|4.966405|5.660906|8.945623|17.739677|8.893722|13.320328|2.581274|5.031795|3.953298|5.548910|3.219340|0.043337|0.039829|0.039331|0.044949|0.044480|0.040246|0.060532|0.060011|0.063616|0.096035|0.110350|0.107725|0.124307|0.500000| 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