Version2.3 2021-03-31T11:58:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(sc1)[C@@H](C(=O)NC2CCCC2)N(c3ccc(cc3)Cl)C(=O)C(=O)NC4CCCC4 C12641131 RHF 6-31G(d) (6D,7F) c1cc(sc1)[C@@H](C(=O)NC2CCCC2)N(c3ccc(cc3)Cl)C(=O)C(=O)NC4CCCC4 C01[X(C24H28Cl1N3O3S1)] 174 C1 544 Clc1ccc(cc1)N(C(=O)C(=O)NC1CCCC1)[C@@H](c1cccs1)C(=O)NC1CCCC1 Clc1ccc(cc1)N(C(=O)C(=O)NC1CCCC1)[C@@H](c1cccs1)C(=O)NC1CCCC1 Clc1ccc(cc1)N([C@H](C(=O)NC2CCCC2)c3sccc3)C(=O)C(=O)NC4CCCC4 InChIKey=JUMRTUPFHRCWHD-NRFANRHFSA-N InChI=1S/C24H28ClN3O3S/c25-16-11-13-19(14-12-16)28(24(31)23(30)27-18-8-3-4-9-18)21(20-10-5-15-32-20)22(29)26-17-6-1-2-7-17/h5,10-15,17-18,21H,1-4,6-9H2,(H,26,29)(H,27,30)/t21-/m0/s1 InChI=1/C24H28ClN3O3S/c25-16-11-13-19(14-12-16)28(24(31)23(30)27-18-8-3-4-9-18)21(20-10-5-15-32-20)22(29)26-17-6-1-2-7-17/h5,10-15,17-18,21H,1-4,6-9H2,(H,26,29)(H,27,30)/t21-/m0/s1/f/h26-27H c1cc(sc1)[C@@H](C(=O)NC2CCCC2)N(c3ccc(cc3)Cl)C(=O)C(=O)NC4CCCC4 C01[X(C24H28Cl1N3O3S1)] 174 C01 544 Clc1ccc(cc1)N(C(=O)C(=O)NC1CCCC1)[C@@H](c1cccs1)C(=O)NC1CCCC1 Cl[C]1[CH][CH][C]([CH][CH]1)N([C@@H]([C]1=[CH][CH]=[CH][S]1)C(=O)NC1CCCC1)C(=O)C(=O)NC1CCCC1 Cl[C]1[CH][CH][C]([CH][CH]1)N([C@H](C(=O)NC2CCCC2)c3sccc3)C(=O)C(=O)NC4CCCC4 InChIKey=JUMRTUPFHRCWHD-NRFANRHFSA-N InChI=1S/C24H28ClN3O3S/c25-16-11-13-19(14-12-16)28(24(31)23(30)27-18-8-3-4-9-18)21(20-10-5-15-32-20)22(29)26-17-6-1-2-7-17/h5,10-15,17-18,21H,1-4,6-9H2,(H,26,29)(H,27,30)/t21-/m0/s1 InChI=1/C24H28ClN3O3S/c25-16-11-13-19(14-12-16)28(24(31)23(30)27-18-8-3-4-9-18)21(20-10-5-15-32-20)22(29)26-17-6-1-2-7-17/h5,10-15,17-18,21H,1-4,6-9H2,(H,26,29)(H,27,30)/t21-/m0/s1/f/h26-27H 3629.1356614781 -2170.1038553 1-A 18787.8283 125 419 544 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0.1838 0.1948 0.2802 0.4652 0.4609 0.3966 0.3530 0.5172 0.4408 0.7745 0.3887 0.4676 0.2062 0.3326 0.4698 0.8706 1.0694 0.4881 0.4111 0.5782 0.6706 0.7882 0.9199 0.7336 0.7442 2.3913 2.0865 1.7101 1.7350 1.8730 1.9929 0.8239 0.4799 0.7527 0.8019 0.9362 0.7392 0.7389 2.1266 2.1459 5.2016 2.2191 0.7017 1.6653 1.6002 0.9075 1.2377 1.4007 0.8391 1.5694 1.3816 1.3946 1.5013 0.8899 0.9152 0.9537 1.0332 1.2954 1.2367 1.0279 2.4564 1.6062 1.5721 1.3219 3.2939 1.7963 2.4016 2.3859 1.7528 1.2357 2.6318 2.5364 2.9335 1.2747 2.5498 1.5182 1.5241 1.6600 1.6728 1.6799 1.5606 1.6266 2.0790 2.1068 1.3357 1.3559 3.0674 1.5883 1.6198 1.6096 1.5818 1.6198 1.8843 1.7391 1.8799 1.8293 1.8517 1.8363 1.8491 2.4917 2.6900 2.1353 2.1722 3.7805 3.2766 8.9778 1.7134 1.6949 1.7501 1.7495 1.7573 1.7585 1.8342 1.8452 3.9731 3.3573 3.8216 9.7028 12.6053 10.6048 26.0307 21.9684 25.4079 6.4199 6.4411 6.4710 6.4738 6.4958 6.4959 6.5739 6.5742 6.8415 6.8437 6.8390 6.8489 6.9130 6.9180 6.9557 6.9651 6.9928 6.9865 6.9450 7.3796 7.4191 7.4384 7.4806 7.5365 7.5725 7.6806 9.4722 9.4951 0.1958 1.5262 0.2929 0.5044 0.6808 0.6833 0.0694 0.7053 0.4221 0.7318 1.1910 3.2821 3.8170 1.4879 0.2470 0.7242 0.6820 7.8115 1.8314 0.6373 0.8685 2.4169 3.8767 0.9085 14.1600 15.8468 7.4340 5.4340 5.4384 4.0289 2.2615 11.4147 6.9596 1.1939 7.3399 89.0024 14.9636 4.3132 6.5459 13.2559 43.0747 58.5039 84.9140 8.6901 2.3691 7.0546 0.3008 1.9682 7.4105 2.3313 31.1672 15.9436 8.8869 3.5316 20.1579 84.4496 19.2655 15.5384 12.9499 0.6798 0.4744 29.6186 2.0638 16.7925 5.1238 1.7576 3.1545 3.2938 17.2582 5.5494 11.3931 2.4271 6.1276 2.8915 6.1224 4.8252 0.9232 2.9355 0.7394 5.0191 1.2071 2.9235 1.5862 31.9797 2.7480 0.3016 1.2021 12.9226 1.9952 17.8806 53.4106 10.1516 3.6632 4.4434 12.3215 14.1814 9.8025 12.6712 1.2997 1.2888 6.7276 2.9624 177.6125 82.8154 26.4034 179.2062 177.5794 0.1115 5.8674 34.5402 8.1591 18.9158 8.5782 8.5020 60.9948 9.6021 6.9886 8.5202 2.3351 4.3012 2.9474 1.4334 112.1624 20.4555 16.9260 6.0940 6.3035 240.6894 11.6687 0.2854 0.1038 2.8643 3.3000 2.1738 2.2757 6.0785 1.8929 164.8492 473.6451 322.4610 1.8076 0.4091 0.7773 631.8500 280.6621 144.8410 26.0637 20.7694 41.0876 42.1178 28.1709 27.5139 80.1173 51.3222 23.6133 23.3508 3.3681 5.8367 27.8678 32.0897 44.1297 51.0851 69.4089 51.6544 8.9724 6.6674 4.0639 3.0626 7.6729 3.7261 1.2547 2.3245 53.7184 26.7519 0.4847 0.5904 0.4024 0.9345 0.6267 0.7580 1.1086 3.1480 0.3741 1.3200 1.4628 5.1095 2.7517 0.4765 1.2622 0.4632 0.4971 0.3097 0.7876 1.1608 1.7072 0.6071 0.9776 1.4484 1.6675 0.8071 4.9406 4.1086 2.7632 0.8979 0.8584 3.1009 2.2321 0.0605 0.6450 0.7474 0.9263 0.4077 1.8791 2.1204 0.9764 0.2244 1.6060 1.4366 2.2475 0.7144 2.7399 2.0278 10.7373 5.2884 1.5005 1.8849 3.6922 8.0554 1.1776 2.5139 6.9611 0.8081 4.3357 2.4809 1.0456 3.3011 2.9864 1.0926 4.3438 1.3220 20.4650 21.6932 0.6575 1.4841 6.6640 1.8518 3.2861 2.0004 1.2993 2.4083 2.2304 1.1818 2.5716 1.7487 11.5858 5.8035 1.2116 0.4409 8.6756 9.1630 0.9508 9.8180 0.7283 4.4004 11.8630 7.5578 7.8496 2.5751 2.9997 3.4039 2.6040 2.5034 1.9559 1.7654 0.6596 6.0964 17.5407 5.8920 12.0314 6.4903 2.0896 10.7474 12.4486 20.2464 2.8433 3.1353 5.4079 1.7182 2.0654 8.5389 2.3865 4.4770 0.3045 1.7795 4.1055 3.9859 1.0871 7.2712 3.7006 4.6749 0.5319 10.3301 102.1770 26.6533 22.6731 8.6078 9.9704 4.6178 3.8410 6.6343 6.6596 1.0583 3.6059 0.9542 8.3586 4.8953 36.9688 9.5823 6.9437 14.7990 24.3094 13.7128 71.7071 87.2057 40.0114 40.1843 19.7378 276.8453 27.6610 28.2805 104.4153 121.8467 56.9889 54.3035 110.0138 95.5519 46.5814 52.5238 29.8924 65.7453 37.2358 68.5292 140.7052 76.6997 70.4932 151.8187 30.3469 27.5366 0.7492 0.7169 0.7496 0.7388 0.7040 0.7332 0.7133 0.7256 0.7459 0.7492 0.7057 0.7265 0.7257 0.7098 0.7176 0.5966 0.7500 0.6638 0.7493 0.6943 0.0293 0.1385 0.6534 0.7180 0.2359 0.1833 0.5597 0.6567 0.5392 0.4913 0.3059 0.5998 0.3797 0.7079 0.7344 0.4892 0.1009 0.3414 0.3536 0.7461 0.7266 0.2924 0.7490 0.4051 0.7296 0.7497 0.7011 0.6898 0.2096 0.4782 0.7081 0.1983 0.2139 0.2260 0.2291 0.7101 0.1085 0.4831 0.1081 0.4376 0.3846 0.1132 0.7353 0.5436 0.1312 0.7500 0.1138 0.0515 0.2778 0.7069 0.0407 0.1980 0.5616 0.7423 0.5648 0.0521 0.6804 0.6203 0.7410 0.7358 0.2690 0.5759 0.7130 0.5687 0.7424 0.7500 0.5928 0.4450 0.4526 0.5744 0.1423 0.6216 0.4058 0.7488 0.7497 0.4255 0.3226 0.7070 0.7474 0.6681 0.7335 0.1657 0.6339 0.5838 0.7473 0.4328 0.7252 0.7486 0.7362 0.0775 0.7330 0.6963 0.6494 0.5563 0.6937 0.4536 0.7307 0.5460 0.7496 0.6856 0.6986 0.7307 0.5378 0.4046 0.7316 0.7277 0.6703 0.6818 0.2626 0.7015 0.7496 0.7005 0.6715 0.7194 0.7300 0.7157 0.7221 0.3021 0.7019 0.5475 0.2195 0.6985 0.5596 0.4630 0.3133 0.2580 0.2636 0.3540 0.2534 0.2675 0.6248 0.6588 0.6713 0.0867 0.7026 0.7213 0.3261 0.2876 0.6627 0.7134 0.4446 0.5571 0.2608 0.1496 0.1919 0.6056 0.4749 0.5296 0.3180 0.1627 0.1645 0.2133 0.1363 0.1433 0.8566 0.8351 0.8569 0.8498 0.8263 0.8461 0.8327 0.8410 0.8545 0.8566 0.8274 0.8416 0.8410 0.8303 0.8356 0.7473 0.8571 0.7979 0.8567 0.8196 0.0570 0.2433 0.7904 0.8359 0.3817 0.3098 0.7177 0.7928 0.7006 0.6589 0.4685 0.7499 0.5504 0.8290 0.8468 0.6570 0.1833 0.5090 0.5224 0.8546 0.8417 0.4525 0.8565 0.5766 0.8436 0.8569 0.8243 0.8164 0.3466 0.6470 0.8291 0.3310 0.3524 0.3686 0.3727 0.8305 0.1957 0.6515 0.1952 0.6088 0.5556 0.2034 0.8475 0.7043 0.2320 0.8571 0.2044 0.0979 0.4349 0.8283 0.0783 0.3305 0.7193 0.8521 0.7219 0.0990 0.8098 0.7656 0.8513 0.8478 0.4239 0.7309 0.8325 0.7251 0.8521 0.8571 0.7443 0.6159 0.6231 0.7297 0.2491 0.7666 0.5773 0.8563 0.8570 0.5970 0.4878 0.8283 0.8554 0.8010 0.8462 0.2842 0.7759 0.7372 0.8554 0.6041 0.8407 0.8563 0.8481 0.1438 0.8459 0.8210 0.7874 0.7149 0.8192 0.6241 0.8444 0.7063 0.8569 0.8134 0.8225 0.8444 0.6995 0.5761 0.8450 0.8424 0.8026 0.8108 0.4159 0.8246 0.8569 0.8239 0.8035 0.8368 0.8439 0.8343 0.8386 0.4641 0.8249 0.7076 0.3600 0.8225 0.7176 0.6329 0.4771 0.4101 0.4172 0.5229 0.4043 0.4221 0.7691 0.7943 0.8033 0.1596 0.8253 0.8381 0.4919 0.4467 0.7971 0.8328 0.6155 0.7156 0.4137 0.2603 0.3220 0.7544 0.6440 0.6925 0.4826 0.2798 0.2825 0.3516 0.2399 0.2507 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 6 6 6 16 6 6 1 6 8 7 6 6 6 6 6 7 6 6 6 6 6 6 17 6 8 6 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14152.5205 22129.9144 30659.2895 0.99993 -0.01071 0.00410 0.01061 0.99967 0.02328 -0.00435 -0.02324 0.99972 1 0.00612 0.00391 0.00283 0.12752 0.08155 0.05886 13.47 20.44 27.73 37.36 40.72 47.08 57.12 58.04 64.39 68.98 84.87 90.93 98.42 117.46 128.26 165.63 172.85 185.13 227.28 250.51 267.07 284.54 315.31 358.17 396.19 412.24 471.09 481.33 497.81 542.06 543.57 564.31 635.15 672.29 679.12 697.64 707.45 736.04 763.25 797.20 824.98 850.42 868.07 890.64 908.16 935.22 971.99 972.24 987.67 1006.39 1039.88 1113.05 1139.65 1157.78 1173.08 1174.11 1184.30 1210.11 1216.09 1277.82 1278.53 1289.00 1299.00 1330.44 1349.09 1349.50 1356.71 1365.15 1381.22 1392.51 1405.19 1415.57 1474.80 1478.74 1492.25 1504.45 1512.90 1531.13 1534.49 1562.96 1569.91 1574.95 1597.67 1605.76 1622.77 1625.28 1630.54 1670.24 1710.88 1728.31 1732.94 1740.96 1746.46 1757.12 1762.63 1822.19 1867.91 1870.76 1901.53 1901.67 1904.53 1908.01 1931.52 1941.31 1946.60 1972.86 1976.02 1996.68 1998.08 2035.55 2057.61 2059.04 2079.32 2079.93 2086.38 2105.04 2116.12 2120.19 2133.57 2134.51 2150.77 2152.10 2179.21 2196.99 2221.40 2232.12 2241.25 2259.43 2342.66 2345.91 2346.32 2365.72 2366.49 2368.17 2368.33 2405.04 2405.69 2411.21 2473.39 2498.53 2530.67 2548.62 2596.27 2750.42 2803.23 2833.44 4585.25 4594.63 4605.87 4607.09 4628.66 4629.00 4653.12 4653.23 4675.80 4675.97 4693.79 4695.41 4707.75 4707.88 4710.92 4712.83 4732.08 4737.12 4741.11 4871.38 4888.62 4891.33 4901.47 4913.31 4928.62 4953.43 5555.92 5562.22 0.528247 0.557658 0.558602 0.458953 -2169.575608 -2169.546198 -2169.545253 -2169.644902 3.342244D-04 MUNgauss RevisionA2.1 retrievium 31-Mar-2021 DUDE c1cc(sc1)[C@@H](C(=O)NC2CCCC2)N(c3ccc(cc3)Cl)C(=O)C(=O)NC4CCCC4 C12641131 RHF 6-31G(d) (6D,10F) C1 473.153992 |X|Y|Z| 104.323494 78.714385 41.333479 69.755651 28 6 7 16 24 3 1 |36.858105| |13.289848|36.858105| |8.184610|14.112904|36.858105| |7.460498|7.473802|10.967028|388.023441| |14.162965|8.261780|7.688734|78.701383|36.858105| |5.041291|7.506485|12.608421|47.134946|4.800064|36.858105| |4.757619|7.299616|9.120259|36.583843|4.235770|17.643250|0.500000| |4.014085|5.148517|7.512558|41.656855|4.101591|12.348024|0.250040|36.858105| |3.364947|4.057298|5.574842|35.894568|3.547392|7.914654|0.170150|15.868266|73.516695| |3.910972|4.850962|6.259939|36.472188|3.932745|7.858558|0.206011|14.166874|15.075580|53.358707| |3.146809|3.616119|4.354489|28.895897|3.251682|5.000009|0.132805|7.753405|12.037070|17.891655|36.858105| |2.804408|3.168492|3.540893|23.067410|2.808529|3.927254|0.112078|5.132233|8.028512|10.456264|12.441783|36.858105| |2.420240|2.623621|2.895954|20.049934|2.480637|3.092651|0.085829|3.903054|6.565240|6.940177|7.835899|12.346896|36.858105| |2.519220|2.676346|3.027975|22.264209|2.678378|3.154961|0.083881|4.072841|7.104599|6.928398|7.924777|7.700674|12.256516|36.858105| |3.100448|3.348504|3.968774|29.677472|3.360535|4.106932|0.105336|5.687141|9.533574|10.286797|12.439609|7.941867|7.744852|12.410056|36.858105| |4.129881|5.558472|7.622748|37.519894|4.001244|13.011368|0.259042|7.675840|12.290444|7.073975|3.869376|3.149380|2.600215|2.664854|3.300484|53.358707| |4.006513|4.891184|6.462165|39.164628|4.107581|7.530643|0.158654|5.637799|10.104245|5.587478|3.285739|2.689383|2.315395|2.439516|2.990243|18.052878|36.858105| |4.213774|4.904935|5.707892|35.776620|4.218868|5.617969|0.131006|4.206223|7.251418|4.564581|2.748714|2.335341|2.039513|2.136303|2.564596|10.629065|13.740072|36.858105| |3.646729|3.887835|4.349335|31.090656|3.820499|4.122089|0.098680|3.401133|6.065747|3.830309|2.403134|2.061712|1.845953|1.956637|2.311376|6.991931|7.937807|13.801225|36.858105| |3.160219|3.315776|3.830370|29.402692|3.450615|3.734197|0.088303|3.315748|6.203946|3.722382|2.398716|2.034474|1.850146|1.993106|2.345810|6.187209|6.915761|7.989259|13.752914|36.858105| |3.061302|3.300550|4.017580|31.058220|3.378702|4.145011|0.095122|3.878555|7.689155|4.203568|2.723240|2.250521|2.044445|2.227654|2.651089|6.974481|7.936146|6.872117|7.909072|13.810747|36.858105| |3.381213|3.866690|5.027772|35.809732|3.652034|5.691638|0.123274|5.239191|10.694027|5.246761|3.263759|2.623425|2.318880|2.505722|3.057265|10.596225|13.769699|7.940444|6.863732|7.980000|13.729319|36.858105| |2.620917|2.638843|2.914683|22.926738|2.873182|2.799944|0.068635|2.579854|4.817921|3.025497|2.012887|1.744379|1.620898|1.750514|2.009774|4.368856|4.234420|4.776350|7.038609|10.921461|7.043681|4.769782|448.794386| |3.294307|4.252766|5.171003|27.570772|3.147146|8.039164|0.214810|6.272048|10.758131|6.285291|3.617579|3.052730|2.517782|2.511637|2.995837|19.151327|7.785157|5.628730|4.125716|3.766410|4.231563|5.913081|22.585742|36.858105| |3.082027|3.976141|4.663925|24.830268|2.905891|7.230052|0.227024|6.347429|10.405644|6.840771|3.939003|3.414025|2.736983|2.644098|3.109993|11.531993|5.367908|4.232730|3.297196|3.062711|3.409436|4.482793|19.256560|15.836683|73.516695| |2.756382|3.350060|3.843945|22.437639|2.662037|5.009546|0.134252|4.274536|7.850159|4.619273|2.854160|2.480781|2.126527|2.132368|2.463530|10.412776|6.575626|5.354523|4.188041|3.863793|4.244085|5.471787|23.526276|12.406628|14.391786|36.858105| |2.758585|3.289239|3.646785|21.662731|2.648068|4.388318|0.117393|3.627139|6.528147|4.029957|2.508410|2.207544|1.917641|1.933792|2.223864|8.811257|6.453090|6.088513|4.800494|4.206542|4.312950|5.174192|25.544852|7.951451|10.155491|15.901037|73.516695| |2.355569|2.790001|3.174534|19.299276|2.302664|4.056468|0.110231|3.814482|7.310729|4.256469|2.744139|2.413986|2.096704|2.089252|2.360374|7.354154|4.804866|3.984190|3.366713|3.275016|3.680477|4.532285|20.969433|7.978677|12.323292|14.218403|14.977776|53.358707| |2.036864|2.344564|2.593273|16.292002|1.996589|3.122322|0.085385|2.963960|5.649001|3.441765|2.283822|2.053884|1.825554|1.820241|2.014457|5.345072|3.756998|3.347173|2.991998|2.946874|3.212344|3.660832|19.765533|5.048865|8.200274|7.788808|11.950818|17.896639|36.858105| |1.892667|2.170192|2.330548|14.504149|1.826732|2.752531|0.077840|2.584654|4.765778|3.102046|2.067738|1.910169|1.698985|1.668145|1.822918|4.505448|3.093783|2.873532|2.577586|2.479308|2.614749|2.923805|17.065247|4.181048|7.243371|5.750607|9.594973|10.291805|12.436386|36.858105| |1.657252|1.860623|1.986960|12.714030|1.614939|2.284222|0.063893|2.188651|4.073527|2.667332|1.816256|1.690126|1.531716|1.510990|1.629270|3.639333|2.583382|2.437212|2.265463|2.224266|2.333064|2.520235|15.834368|3.190270|5.527050|4.096551|7.109929|6.931881|7.927169|12.411985|36.858105| |1.618833|1.808037|1.961553|12.777195|1.599833|2.263220|0.062242|2.230818|4.258466|2.706120|1.870352|1.724906|1.578175|1.569512|1.685174|3.591509|2.581886|2.379666|2.237365|2.261150|2.432075|2.615422|16.176842|3.112593|5.375601|3.909746|6.529985|6.942873|7.832313|7.746922|12.258721|36.858105| |1.817239|2.056779|2.280838|14.751939|1.804938|2.706479|0.073489|2.696530|5.267569|3.190753|2.187416|1.977337|1.790107|1.789551|1.946123|4.407016|3.137875|2.779354|2.562645|2.612832|2.902362|3.224995|18.100063|3.946613|6.717801|5.131496|7.961002|10.462752|12.442223|7.937892|7.699304|12.343908|36.858105| |17.751245|8.587329|5.709281|37.714161|8.906485|4.033859|0.110259|3.319417|5.055891|4.494429|2.747637|2.529316|2.213722|2.276109|2.716629|4.694881|3.356228|3.606085|3.216639|2.790288|2.663511|2.877462|19.189084|2.873681|4.846160|2.470027|4.442643|2.905218|1.875715|1.768092|1.559212|1.513750|1.678442|0.500000| |8.595547|17.726518|8.923920|37.746936|5.741802|6.753561|0.213501|4.651180|6.569893|6.098429|3.379115|3.073827|2.520273|2.498836|3.038086|7.172889|4.413638|4.473199|3.530481|2.990660|2.964036|3.466677|19.378041|4.317153|7.404899|3.407484|5.964748|3.852752|2.383085|2.249733|1.911622|1.831998|2.069635|0.201560|0.500000| |8.769249|5.696228|5.409221|55.492921|17.785547|3.817978|0.095220|3.432978|5.473393|4.547634|2.896023|2.541909|2.310312|2.522452|3.086920|4.522497|3.489626|3.626621|3.466984|3.217904|3.113395|3.232587|22.508389|2.701803|4.461842|2.351118|4.184104|2.813587|1.821774|1.672433|1.496765|1.488124|1.664902|0.203475|0.122645|0.500000| |4.438888|5.648859|6.799515|37.004600|4.271987|7.603855|0.221263|9.446379|10.889712|26.047053|9.041452|7.165996|4.759720|4.576043|6.387002|6.621695|3.855966|3.285899|2.747997|2.611878|2.862928|3.493542|17.178110|4.281151|8.280865|3.185087|5.053544|3.933156|2.369418|2.175629|1.871193|1.872506|2.174342|0.103990|0.146853|0.099075|0.500000| |2.802967|3.219374|3.898570|26.033992|2.905109|4.687545|0.122953|7.422585|13.634331|12.696927|17.615371|8.848950|6.780926|6.967815|8.881807|5.275066|3.308270|2.717473|2.387885|2.419883|2.801230|3.382720|16.295470|3.755668|7.322810|2.998735|4.601427|4.031566|2.451270|2.191354|1.927749|2.013854|2.387001|0.068451|0.084405|0.072548|0.181592|0.500000| |2.593252|2.973644|3.284670|20.754717|2.550989|3.778615|0.111423|4.793559|7.622110|8.987660|8.704446|17.576977|8.624256|5.665127|5.665123|4.238185|2.617035|2.272173|1.996379|1.961484|2.165776|2.533920|13.498988|3.135525|6.454334|2.555367|4.000977|3.435553|2.144632|2.013753|1.774017|1.806264|2.070182|0.065573|0.082203|0.064058|0.171587|0.217257|0.500000| |3.057821|3.439742|3.713923|23.822533|3.005398|3.944636|0.115299|4.810633|7.191510|9.891956|8.860426|17.500661|8.769040|6.267595|6.836237|4.208476|2.639650|2.335838|2.056526|2.002096|2.178506|2.521972|13.805258|2.948279|5.815483|2.392705|3.838744|3.115203|1.956397|1.836842|1.622755|1.637560|1.860558|0.077123|0.093328|0.075213|0.222430|0.174647|0.302629|0.500000| |2.164104|2.352027|2.591692|17.848674|2.209982|2.819246|0.078518|3.524638|6.133735|5.922681|6.290087|8.746343|17.569764|8.715877|5.863984|3.322342|2.180802|1.919664|1.745512|1.758578|1.948997|2.202025|12.437625|2.415368|4.700730|2.071295|3.306313|2.828372|1.822750|1.700806|1.542670|1.599813|1.811111|0.055317|0.063370|0.057407|0.111032|0.173901|0.221784|0.176501|0.500000| |2.335816|2.489763|2.673993|18.577489|2.376412|2.780227|0.078045|3.345719|5.553851|5.823632|5.773645|8.732991|17.575700|8.659417|6.022241|3.197860|2.109451|1.891555|1.722154|1.715917|1.870005|2.094327|12.186088|2.269972|4.364227|1.938360|3.144307|2.589370|1.673968|1.574007|1.425631|1.459263|1.636726|0.060210|0.066869|0.062087|0.117327|0.137955|0.188989|0.225945|0.304292|0.500000| |2.294521|2.440957|2.781030|20.565496|2.448775|2.950507|0.077774|3.819180|7.032655|6.083834|6.628379|6.065596|8.739629|17.553817|8.817509|3.499800|2.381776|2.073523|1.914899|1.976501|2.233392|2.497866|14.015333|2.454540|4.573420|2.115516|3.397520|2.863099|1.842880|1.678239|1.530569|1.607384|1.837780|0.057701|0.063508|0.064405|0.108836|0.189625|0.138210|0.135179|0.228713|0.179111|0.500000| |2.428615|2.512569|2.783009|20.986447|2.602820|2.804961|0.074686|3.452921|5.986811|5.687993|5.701302|5.787336|8.631714|17.576315|8.704111|3.258485|2.230643|1.989633|1.844610|1.879425|2.074453|2.288704|13.441386|2.241883|4.147352|1.930949|3.154767|2.564225|1.660900|1.530871|1.396272|1.446017|1.632211|0.061635|0.064984|0.069410|0.109271|0.139753|0.124911|0.146679|0.184363|0.223000|0.303859|0.500000| |3.491147|3.675915|4.249925|32.531994|3.815399|4.107647|0.106222|5.261205|8.290117|9.629353|8.864767|6.947297|6.519838|8.768341|17.512009|4.389067|2.939140|2.579108|2.325697|2.327731|2.575277|2.935964|16.065620|2.868668|5.246060|2.359740|3.844853|3.027609|1.908392|1.741837|1.555941|1.592991|1.823115|0.084745|0.091224|0.097458|0.188820|0.174680|0.139663|0.196491|0.135793|0.159767|0.174475|0.219254|0.500000| |3.076259|3.283358|4.000798|31.935260|3.445943|4.112345|0.101245|5.724536|10.443132|8.887597|8.700848|5.649483|5.605486|8.644361|17.581955|4.639459|3.192844|2.705283|2.468314|2.559103|2.951396|3.386122|17.565132|3.042445|5.455952|2.530304|4.070235|3.298031|2.069710|1.846353|1.656773|1.728160|2.008187|0.074203|0.081365|0.088737|0.149903|0.216403|0.124858|0.138543|0.131177|0.127324|0.219677|0.193673|0.301863|0.500000| |4.535202|5.444264|5.760387|33.079638|4.229916|5.524127|0.137772|3.952774|6.537616|4.435975|2.646349|2.298414|1.990819|2.052005|2.444192|9.813325|8.944359|17.759807|8.935111|5.667943|4.955105|5.657831|31.607881|5.486459|7.572015|5.142508|10.708345|5.159981|3.212192|2.864674|2.406161|2.295204|2.634193|0.109812|0.144797|0.099761|0.091233|0.071772|0.062520|0.064732|0.051956|0.051714|0.054847|0.053248|0.069047|0.070178|0.500000| |3.488818|3.590781|3.789818|27.094253|3.588053|3.508215|0.087032|2.919067|5.133513|3.395081|2.154314|1.883855|1.698141|1.789396|2.085830|5.668067|5.642980|8.914103|17.754293|8.915766|5.640245|4.950119|53.827817|3.494655|5.135642|3.591219|7.439476|4.016049|2.698520|2.391980|2.129509|2.077713|2.323740|0.088250|0.092193|0.092576|0.068666|0.059089|0.050763|0.052602|0.044646|0.044411|0.048515|0.047262|0.058794|0.061279|0.214486|0.500000| |2.695483|2.854869|3.419514|27.098472|2.999145|3.536268|0.082852|3.494976|7.115708|3.887465|2.604435|2.158862|1.997993|2.201328|2.581017|5.654262|5.644140|4.954229|5.637386|8.932993|17.751562|8.895758|53.812717|3.609863|5.378351|3.652217|6.468039|4.549544|2.996867|2.443453|2.229704|2.372620|2.816548|0.065994|0.071721|0.078548|0.072959|0.075329|0.057617|0.057548|0.053276|0.050699|0.062156|0.057154|0.068898|0.080889|0.107606|0.124203|0.500000| |3.117642|3.581867|4.697927|33.402395|3.367545|5.673102|0.123314|5.964515|13.944878|5.785151|3.674879|2.872370|2.539767|2.767888|3.395782|9.763372|8.956271|5.657407|4.951317|5.663871|8.898983|17.767112|31.564753|5.949724|8.410197|5.287435|8.239459|6.415890|3.724803|2.938145|2.539907|2.696177|3.402666|0.074061|0.090060|0.083311|0.102690|0.109525|0.077132|0.075001|0.067419|0.062704|0.077770|0.069091|0.087837|0.106282|0.124610|0.107545|0.213834|0.500000| |2.326127|2.768933|3.170999|19.179448|2.274522|4.155936|0.114859|4.106790|7.948934|4.620082|3.005994|2.648063|2.278881|2.245086|2.524196|7.090256|4.384620|3.573225|3.022887|2.966218|3.376636|4.200921|19.222489|7.839718|14.241964|9.548935|10.925877|26.019574|9.004971|6.438952|4.584593|4.741089|7.076705|0.058463|0.078181|0.056651|0.085849|0.091850|0.078130|0.068804|0.063232|0.056934|0.063015|0.055634|0.065263|0.071384|0.095028|0.073917|0.086607|0.127028|0.500000| |2.052254|2.337642|2.577214|16.426158|2.021629|3.025851|0.081385|2.819730|5.364742|3.259860|2.156010|1.929397|1.726432|1.739925|1.934353|5.268500|3.927848|3.609506|3.304951|3.263710|3.491894|3.851985|21.928046|4.695921|7.247542|7.419077|13.395954|12.689755|17.606069|8.882095|6.968773|6.766602|8.842290|0.052556|0.065510|0.051445|0.062708|0.063646|0.055277|0.051404|0.047587|0.044168|0.048846|0.044416|0.051274|0.055628|0.095059|0.082952|0.089896|0.105064|0.180635|0.500000| |1.962267|2.254860|2.384620|14.679386|1.873477|2.782062|0.079422|2.535834|4.583116|3.050546|2.008347|1.861549|1.648966|1.618121|1.777126|4.578412|3.150784|3.017508|2.689118|2.522711|2.597140|2.888472|17.330227|4.193466|7.138774|5.804645|10.592766|8.889560|8.700500|17.582571|8.644853|5.604663|5.648218|0.051183|0.065621|0.047540|0.060206|0.058306|0.054266|0.050275|0.045516|0.042684|0.044867|0.041439|0.047637|0.049851|0.085524|0.070163|0.066479|0.078722|0.151409|0.216534|0.500000| |1.883718|2.174207|2.331184|14.362836|1.809319|2.788445|0.080345|2.654972|4.859610|3.227697|2.160359|2.017904|1.783706|1.729237|1.878641|4.444020|2.945990|2.697400|2.392306|2.299275|2.445140|2.772959|15.813125|4.204906|7.759221|5.325850|8.365645|9.637631|8.864611|17.511657|8.769633|6.530039|6.946110|0.048907|0.063074|0.045900|0.062861|0.063845|0.059882|0.053714|0.049865|0.045838|0.048288|0.043875|0.049680|0.052371|0.075225|0.061599|0.063671|0.078716|0.191464|0.174685|0.301696|0.500000| |1.629874|1.815036|1.925794|12.417467|1.589551|2.177810|0.060553|2.062653|3.823690|2.512514|1.706223|1.585177|1.442256|1.431286|1.546776|3.482837|2.530630|2.442485|2.307445|2.259390|2.328576|2.465811|16.290224|2.976784|5.043242|3.839866|7.034188|6.090572|6.639528|8.820579|17.553070|8.740060|6.074341|0.042755|0.051693|0.041081|0.049223|0.049928|0.045853|0.042523|0.040160|0.037439|0.040184|0.036943|0.041275|0.043834|0.067085|0.060904|0.061749|0.067864|0.109026|0.190039|0.219631|0.174448|0.500000| |1.555628|1.739781|1.840258|11.775635|1.509992|2.100807|0.059390|2.023521|3.732648|2.505499|1.718656|1.620652|1.473787|1.442746|1.541980|3.270633|2.297072|2.179425|2.027705|1.983662|2.070502|2.231658|14.261385|2.839741|5.044521|3.473875|6.005312|5.688410|5.699809|8.704548|17.576263|8.631700|5.779986|0.040901|0.049921|0.038982|0.049089|0.050526|0.047497|0.043306|0.041387|0.038274|0.040557|0.037117|0.040971|0.043278|0.060339|0.053376|0.055163|0.062671|0.109569|0.139766|0.193820|0.219101|0.303809|0.500000| |1.556294|1.720085|1.863230|12.320495|1.547620|2.115872|0.057625|2.082946|3.987873|2.527911|1.753409|1.612698|1.487837|1.492319|1.601067|3.353463|2.474151|2.310345|2.218784|2.269547|2.424696|2.542609|16.543627|2.823912|4.789760|3.518931|6.075304|5.914630|6.274828|5.856857|8.716226|17.569723|8.741126|0.040502|0.048106|0.040227|0.048668|0.052242|0.046515|0.042634|0.041804|0.038320|0.042526|0.038401|0.042156|0.045882|0.061451|0.057552|0.066425|0.072167|0.110351|0.173059|0.130967|0.135836|0.228607|0.184621|0.500000| 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