Version2.1
2021-01-09T23:43:11Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
01-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1ccc2c(c1)c(c([nH]2)c3ccc(cc3)Cl)SCCNC(=O)c4cc(ccc4Cl)[N+](=O)[O-] C33734721
RHF
6-31G(d)
(6D,7F)
c1ccc2c(c1)c(c([nH]2)c3ccc(cc3)Cl)SCCNC(=O)c4cc(ccc4Cl)[N+](=O)[O-]
C01[X(C23H17Cl2N3O3S1)]
141
C1
526
Clc1ccc(cc1)c1[nH]c2c(c1SCCNC(=O)c1cc(ccc1Cl)[N+](=O)[O-])cccc2
Clc1ccc(cc1)c1[nH]c2c(c1SCCNC(=O)c1cc(ccc1Cl)[N+](=O)[O-])cccc2
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)NCCSc2c([nH]c3ccccc23)c4ccc(Cl)cc4
InChIKey=COJZPNVMJRGVPE-UHFFFAOYSA-N
InChI=1S/C23H17Cl2N3O3S/c24-15-7-5-14(6-8-15)21-22(17-3-1-2-4-20(17)27-21)32-12-11-26-23(29)18-13-16(28(30)31)9-10-19(18)25/h1-10,13,27H,11-12H2,(H,26,29)
InChI=1/C23H17Cl2N3O3S/c24-15-7-5-14(6-8-15)21-22(17-3-1-2-4-20(17)27-21)32-12-11-26-23(29)18-13-16(28(30)31)9-10-19(18)25/h1-10,13,27H,11-12H2,(H,26,29)/f/h26H
c1ccc2c(c1)c(c([nH]2)c3ccc(cc3)Cl)SCCNC(=O)c4cc(ccc4Cl)[N+](=O)[O-]
C01[X(C23H17Cl2N3O3S1)]
141
C01
526
Clc1ccc(cc1)c1[nH]c2c(c1SCCNC(=O)c1cc(ccc1Cl)[N+](=O)[O-])cccc2
Cl[C]1[CH][CH][C]([CH][CH]1)C1=[C]([C]2[C]([CH][CH][CH][CH]2)N1)SCCNC(=O)[C]1[CH][C]([CH][CH][C]1Cl)[N]([O])[O]
[O]N([O])[C]1[CH][CH][C](Cl)[C]([CH]1)C(=O)NCCSC2=C(N[C]3[CH][CH][CH][CH][C]23)[C]4[CH][CH][C](Cl)[CH][CH]4
InChIKey=COJZPNVMJRGVPE-UHFFFAOYSA-N
InChI=1S/C23H17Cl2N3O3S/c24-15-7-5-14(6-8-15)21-22(17-3-1-2-4-20(17)27-21)32-12-11-26-23(29)18-13-16(28(30)31)9-10-19(18)25/h1-10,13,27H,11-12H2,(H,26,29)
InChI=1/C23H17Cl2N3O3S/c24-15-7-5-14(6-8-15)21-22(17-3-1-2-4-20(17)27-21)32-12-11-26-23(29)18-13-16(28(30)31)9-10-19(18)25/h1-10,13,27H,11-12H2,(H,26,29)/f/h26H
3361.6437789875
-2585.1854152
1-A
23616.1372
125
401
526
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8.79927
-0.1448 -1.7266 -0.9168
1.9603
|XX|YY|ZZ|XY|XZ|YZ|
-184.4334 -222.5913 -204.7325 -15.6250 25.1665 6.6869
|XX|YY|ZZ|XY|XZ|YZ|
19.4857 -18.6722 -0.8135 -15.6250 25.1665 6.6869
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-132.0720 -62.2854 6.4254 12.6511 70.0254 -22.9849 47.5649 35.2903 -39.3923 -101.2486
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-19847.2120 -8440.5934 -2495.9919 -853.6588 646.1684 -313.7246 -58.8550 210.9475 23.5441 -5238.9669 -4096.3317 -1854.6999 63.6148 131.5671 -73.5075
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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 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141
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4.5224 7.5267 14.9736 29.7133 32.9209 45.2326 49.0958 51.0560 69.7559 78.6076 97.7525 100.2703 110.7068 139.5303 150.1380 178.8586 184.7540 194.0701 215.4904 239.6455 260.1412 277.8540 306.3695 316.4665 325.2083 343.2309 350.4430 380.0049 394.1279 402.3157 440.2455 455.3543 461.0430 469.1598 488.8544 499.6838 504.1569 506.9066 535.0264 558.1437 584.2584 593.8428 632.9619 641.3583 648.4030 658.9696 691.4677 713.0186 724.5066 781.3638 791.7925 799.6343 802.2014 812.6633 841.1078 844.4586 851.2315 855.9079 862.3076 879.4704 893.2893 929.8705 946.3104 949.4409 961.7382 964.9550 980.2633 1009.9248 1065.2510 1069.3334 1090.9885 1097.6641 1102.4601 1105.4958 1105.7560 1111.4578 1117.5730 1117.6637 1127.9636 1151.1372 1172.8449 1196.6252 1204.8455 1227.8589 1228.0718 1232.5755 1247.0616 1248.6911 1273.3219 1276.8475 1302.1657 1307.3092 1334.7038 1342.8131 1356.5019 1391.6337 1395.7077 1401.1181 1418.2468 1418.6780 1445.9525 1464.6308 1469.0367 1546.7332 1551.7179 1556.1188 1576.1113 1622.0557 1632.0946 1634.0140 1642.9884 1654.1129 1657.3962 1663.8976 1705.4897 1726.7928 1762.5149 1764.7607 1779.5782 1795.0819 1809.8367 1818.0505 1870.5863 1965.1346 3249.8616 3254.8634 3304.2443 3323.9128 3355.9422 3366.0707 3374.6718 3379.3653 3389.1423 3398.5070 3404.0649 3411.9471 3417.1111 3431.8985 3442.3606 3893.0217 3902.0562
13.2687 11.6179 8.4331 6.7244 9.2097 4.5248 8.3947 8.1313 6.6211 5.4228 3.4833 6.4412 3.9574 6.1195 7.6532 9.2244 8.8074 7.3289 8.0320 7.6929 8.9936 4.7447 6.1104 5.0701 7.9709 12.5242 7.0040 5.1832 4.8430 4.8163 4.6253 2.0712 1.6081 1.4525 3.0257 4.8303 4.8727 6.1768 4.2482 3.6627 6.8299 6.2389 4.2839 3.5875 5.8484 6.4203 7.0818 6.5082 6.2098 4.7692 6.8773 5.3784 2.0774 3.5439 3.1605 1.5729 2.8221 4.8999 4.4218 5.8130 5.4369 3.7322 1.2656 1.6143 1.4920 1.4548 4.9414 5.2765 1.3491 1.5911 1.3781 3.5155 3.8076 1.3995 1.4419 2.1182 2.2065 1.7853 2.9038 1.7354 4.7263 2.0746 3.7690 2.4360 1.9744 1.7551 1.7149 2.1254 3.2941 6.3892 2.2798 1.1575 1.4110 2.7240 1.6226 2.8450 1.5793 1.3316 1.9947 2.5381 1.4402 1.1336 2.3496 2.2316 1.5087 2.9258 2.5633 2.5334 3.8294 1.0921 1.1060 4.8125 2.9788 2.3218 1.9799 5.4003 6.6228 6.9234 5.5915 6.3161 5.6090 5.7379 12.3849 10.2817 1.0604 1.0647 1.1042 1.1081 1.0869 1.0909 1.0907 1.0951 1.0978 1.0911 1.0955 1.0929 1.0959 1.0931 1.0953 1.0795 1.0808
0.0002 0.0004 0.0011 0.0035 0.0059 0.0055 0.0119 0.0125 0.0190 0.0197 0.0196 0.0382 0.0286 0.0702 0.1016 0.1739 0.1771 0.1626 0.2198 0.2603 0.3586 0.2158 0.3379 0.2992 0.4967 0.8693 0.5068 0.4410 0.4432 0.4593 0.5282 0.2530 0.2014 0.1884 0.4260 0.7106 0.7297 0.9351 0.7165 0.6723 1.3737 1.2963 1.0112 0.8694 1.4487 1.6426 1.9950 1.9495 1.9205 1.7155 2.5403 2.0262 0.7877 1.3790 1.3174 0.6609 1.2048 2.1149 1.9372 2.6491 2.5561 1.9013 0.6677 0.8574 0.8131 0.7981 2.7976 3.1708 0.9020 1.0719 0.9664 2.4956 2.7266 1.0077 1.0387 1.5417 1.6237 1.3140 2.1767 1.3549 3.8305 1.7503 3.2236 2.1638 1.7545 1.5710 1.5713 1.9526 3.1467 6.1372 2.2776 1.1656 1.4810 2.8940 1.7591 3.2462 1.8126 1.5402 2.3639 3.0097 1.7741 1.4327 2.9875 3.1455 2.1404 4.1743 3.7516 3.9272 6.0100 1.7180 1.7590 7.7580 4.8211 3.7872 3.3930 9.4874 12.1216 12.7039 10.4330 11.9914 10.8247 11.1741 25.5328 23.3937 6.5988 6.6457 7.1032 7.2132 7.2125 7.2826 7.3184 7.3681 7.4291 7.4247 7.4796 7.4964 7.5396 7.5853 7.6469 9.6397 9.6959
0.3643 0.2474 0.4353 1.0885 0.9794 0.1538 1.0209 1.2783 0.2785 1.9030 2.0210 3.1316 1.8903 1.5696 4.1730 1.5769 0.4269 3.8594 5.4943 1.3532 1.6347 3.2928 0.8072 14.7623 3.0371 0.9750 2.8678 10.6934 3.4005 22.5381 15.5147 29.3005 60.5866 50.0744 29.5895 2.9072 11.8031 5.5782 3.7042 10.6700 7.0912 10.2268 6.4473 2.5311 16.1809 1.8141 0.4414 2.5333 12.5687 0.2817 18.8172 7.1577 7.3968 2.8684 2.5319 61.0730 33.6536 40.8149 6.9171 5.0042 1.6939 24.3002 2.7960 52.9637 17.5119 0.0462 4.5453 39.4747 1.9762 9.9877 0.1816 9.5802 7.0591 2.0751 2.0780 0.0908 18.5091 11.7107 8.2239 12.4774 77.6180 0.2528 61.4489 16.8818 38.3827 7.5819 0.7885 6.5542 5.9823 70.4156 17.3919 1.3667 1.0040 34.8586 23.3462 31.2144 78.7447 21.2516 185.0299 6.3960 1.3548 34.2286 4.9210 17.9495 4.7108 28.9484 64.2902 52.7350 321.7370 8.7855 9.2325 70.8942 24.8397 88.0262 434.1561 4.9722 3.8923 23.0610 2.1967 41.3984 8.2185 11.8216 471.8073 277.9519 10.2085 36.0580 1.3187 12.0402 0.1677 12.0555 7.7158 35.5219 31.5673 3.7568 5.0827 0.8582 2.5245 2.8501 2.5331 43.7962 87.5307
3.4252 4.2796 1.6274 1.4517 3.3782 8.0670 3.9674 1.6579 3.2900 4.8929 1.4923 1.7696 2.2858 1.2924 0.4839 1.4946 2.6018 0.8973 2.2664 1.5355 4.3893 0.5352 2.4562 1.1694 3.2698 5.5455 1.9685 4.0996 0.8766 2.3208 2.3129 5.1741 1.3424 2.6344 1.5772 0.9851 3.7674 1.5780 0.9431 2.3642 1.8725 0.8887 2.0520 2.2545 2.0016 5.0057 9.1763 7.3557 4.4901 1.0663 20.2272 4.0958 5.7113 9.5978 14.3212 1.3166 1.2412 3.2652 19.4763 12.4652 4.8262 6.3919 9.3030 1.5614 1.4531 1.7010 17.3061 1.3589 0.0318 4.6573 3.3491 21.5485 14.4825 0.7700 1.9765 16.8868 22.5112 16.8647 4.8477 7.8727 10.1570 1.3699 18.7755 3.5800 13.8098 11.9946 1.3252 3.8748 1.5399 31.5263 5.4099 19.8611 4.7323 8.2935 62.3275 102.6423 27.3276 4.3681 6.5393 64.6648 17.3160 10.5438 63.8105 10.1790 1.2275 0.2693 38.2618 134.7630 70.2668 33.3254 1.1072 66.0810 50.3054 5.5708 3.5351 493.7932 30.6049 39.6288 27.1310 65.2247 638.0361 53.8914 1.8244 5.5333 67.7416 36.2119 46.2517 3.8457 38.1670 127.8722 37.2274 99.5711 263.5324 64.3942 105.0548 77.4158 85.2243 45.1148 97.5941 43.4954 75.5995
0.7499 0.7455 0.7245 0.6443 0.7218 0.7029 0.6835 0.6980 0.7067 0.6959 0.5956 0.7411 0.7197 0.6386 0.6365 0.4516 0.6532 0.7036 0.7498 0.0589 0.3468 0.6006 0.5897 0.2192 0.6119 0.1248 0.7346 0.5610 0.7499 0.4734 0.1106 0.5219 0.6024 0.7093 0.7461 0.7378 0.4239 0.7099 0.7468 0.5202 0.7407 0.5444 0.7472 0.2175 0.2089 0.5440 0.7303 0.5961 0.4110 0.6374 0.0624 0.1951 0.1515 0.5784 0.1833 0.7396 0.3052 0.6481 0.3660 0.3895 0.5028 0.1378 0.3139 0.3190 0.7480 0.7230 0.2261 0.4459 0.6492 0.3519 0.7395 0.1052 0.2707 0.3415 0.2715 0.2159 0.0775 0.2133 0.7336 0.5396 0.1155 0.7455 0.1404 0.7216 0.7468 0.4869 0.4315 0.7392 0.7428 0.1665 0.4852 0.1799 0.2093 0.7499 0.3711 0.2148 0.0702 0.1957 0.3930 0.5780 0.4430 0.7175 0.3445 0.1899 0.2705 0.5133 0.6756 0.3564 0.2018 0.6117 0.7491 0.2152 0.1976 0.2995 0.7447 0.2503 0.3168 0.3851 0.2932 0.6740 0.3597 0.5186 0.6906 0.1870 0.0726 0.3047 0.7446 0.5077 0.6585 0.7464 0.5541 0.4220 0.1148 0.4908 0.2227 0.3789 0.1490 0.2550 0.2299 0.1924 0.2340
0.8571 0.8542 0.8402 0.7837 0.8384 0.8256 0.8120 0.8221 0.8281 0.8207 0.7465 0.8513 0.8370 0.7795 0.7779 0.6222 0.7902 0.8260 0.8570 0.1112 0.5150 0.7505 0.7419 0.3596 0.7592 0.2219 0.8470 0.7188 0.8571 0.6426 0.1992 0.6859 0.7519 0.8299 0.8546 0.8492 0.5954 0.8304 0.8551 0.6844 0.8510 0.7050 0.8553 0.3573 0.3457 0.7047 0.8441 0.7469 0.5825 0.7785 0.1175 0.3265 0.2632 0.7329 0.3099 0.8503 0.4677 0.7865 0.5359 0.5606 0.6691 0.2422 0.4778 0.4837 0.8558 0.8392 0.3688 0.6168 0.7873 0.5206 0.8503 0.1904 0.4260 0.5091 0.4270 0.3551 0.1439 0.3516 0.8463 0.7009 0.2071 0.8542 0.2463 0.8383 0.8550 0.6550 0.6028 0.8500 0.8524 0.2854 0.6533 0.3049 0.3462 0.8570 0.5413 0.3537 0.1312 0.3273 0.5643 0.7326 0.6140 0.8355 0.5125 0.3192 0.4258 0.6784 0.8064 0.5255 0.3358 0.7591 0.8566 0.3542 0.3300 0.4609 0.8537 0.4004 0.4812 0.5560 0.4534 0.8052 0.5290 0.6830 0.8170 0.3150 0.1353 0.4670 0.8536 0.6735 0.7941 0.8548 0.7131 0.5935 0.2060 0.6585 0.3642 0.5496 0.2594 0.4063 0.3739 0.3227 0.3793
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
6 6 6 6 6 6 6 6 7 1 6 6 6 6 6 6 17 16 6 6 7 6 8 6 6 6 6 6 6 17 7 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 31.97207 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 14.00307 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
15267.9674 33025.8780 41594.4119
0.99994 -0.01130 0.00055 0.01130 0.99993 0.00227 -0.00057 -0.00227 1.00000
1
0.00567 0.00262 0.00208
0.11820 0.05465 0.04339
6.51 10.83 21.54 42.75 47.37 65.08 70.64 73.46 100.36 113.10 140.64 144.27 159.28 200.75 216.02 257.34 265.82 279.22 310.04 344.80 374.29 399.77 440.80 455.32 467.90 493.83 504.21 546.74 567.06 578.84 633.42 655.15 663.34 675.02 703.35 718.93 725.37 729.33 769.78 803.04 840.62 854.41 910.69 922.77 932.91 948.11 994.87 1025.87 1042.40 1124.21 1139.21 1150.50 1154.19 1169.24 1210.17 1214.99 1224.73 1231.46 1240.67 1265.36 1285.24 1337.88 1361.53 1366.03 1383.73 1388.36 1410.38 1453.06 1532.66 1538.53 1569.69 1579.29 1586.19 1590.56 1590.94 1599.14 1607.94 1608.07 1622.89 1656.23 1687.46 1721.68 1733.50 1766.62 1766.92 1773.40 1794.24 1796.59 1832.03 1837.10 1873.53 1880.93 1920.34 1932.01 1951.70 2002.25 2008.11 2015.90 2040.54 2041.16 2080.40 2107.28 2113.62 2225.40 2232.58 2238.91 2267.67 2333.78 2348.22 2350.98 2363.89 2379.90 2384.62 2393.98 2453.82 2484.47 2535.87 2539.10 2560.42 2582.72 2603.95 2615.77 2691.36 2827.39 4675.83 4683.02 4754.07 4782.37 4828.45 4843.02 4855.40 4862.15 4876.22 4889.69 4897.69 4909.03 4916.46 4937.74 4952.79 5601.19 5614.19
0.388587
0.415359
0.416303
0.323299
-2584.796828
-2584.770056
-2584.769112
-2584.862117
3.119403D-04
MUNgauss
RevisionA2.0
retrievium
09-Jan-2021
DUDE c1ccc2c(c1)c(c([nH]2)c3ccc(cc3)Cl)SCCNC(=O)c4cc(ccc4Cl)[N+](=O)[O-] C33734721
RHF
6-31G(d)
(6D,10F)
C1
485.036769
|X|Y|Z|
79.481378 124.033616 43.755348
75.557685
26
|36.858105|
|13.571832|36.858105|
|7.866930|13.849530|36.858105|
|6.944658|8.056089|13.678383|36.858105|
|7.982343|6.873870|7.798476|13.647626|36.858105|
|13.852754|7.876331|6.743416|7.902557|13.631297|36.858105|
|5.014046|4.549749|5.261508|8.347691|13.166836|7.278061|36.858105|
|4.161174|4.173025|5.274332|8.476029|8.434355|5.232471|13.975492|36.858105|
|4.650454|5.159015|7.590163|13.866779|8.532983|5.365860|8.556900|13.881755|53.358707|
|3.944738|4.547436|6.656281|9.037886|5.983421|4.283318|6.014689|9.102504|26.090704|0.500000|
|3.145509|3.178922|3.860290|5.238584|5.117992|3.746136|7.343075|12.886910|10.543140|0.196437|36.858105|
|2.777130|2.882845|3.509589|4.445535|4.100152|3.164153|5.152436|7.666444|8.688023|0.183409|13.682369|36.858105|
|2.315143|2.388560|2.813521|3.373948|3.186059|2.591122|3.868591|5.061962|6.002881|0.129087|7.884208|13.769471|36.858105|
|2.157308|2.187940|2.520627|3.003543|2.934887|2.430525|3.612618|4.479708|5.134473|0.107625|6.865988|7.987734|13.782812|36.858105|
|2.310211|2.302605|2.633336|3.204132|3.235777|2.657800|4.152072|5.049263|5.426739|0.109690|7.898773|6.884561|7.918486|13.774604|36.858105|
|2.767974|2.735354|3.177649|4.076781|4.204960|3.286137|5.876401|7.610749|7.170079|0.137650|13.692907|7.955964|6.869153|7.975006|13.774293|36.858105|
|1.801929|1.827036|2.059640|2.362094|2.314431|1.990120|2.724075|3.178098|3.840692|0.081023|4.218109|4.775593|7.043100|10.937602|7.039771|4.772415|448.794386|
|3.942807|3.416020|3.622801|4.772699|6.668970|5.496062|10.810073|6.781860|6.571539|0.109359|5.545608|4.145535|3.425622|3.404911|4.048664|5.410354|21.327378|388.023441|
|3.577500|3.130181|3.267516|4.087570|5.273683|4.690179|6.867529|5.239278|5.588420|0.095725|4.590952|3.888656|3.271605|3.133884|3.458729|4.210026|20.216120|74.213147|36.858105|
|2.944234|2.577014|2.621809|3.110449|3.829159|3.662557|4.593366|3.771164|4.229021|0.075430|3.531790|3.100326|2.767594|2.742804|3.022392|3.468172|18.524982|49.366646|12.473927|36.858105|
|2.635422|2.345526|2.369997|2.725194|3.210966|3.131789|3.636195|3.150510|3.695484|0.067237|2.999452|2.773648|2.523230|2.461043|2.610737|2.889438|17.085990|33.261046|7.715789|13.116805|53.358707|
|2.305236|2.110338|2.166293|2.473991|2.805611|2.673718|3.196494|2.917739|3.444400|0.063862|2.899062|2.776004|2.594811|2.529521|2.618947|2.804421|17.883609|27.687302|5.832649|7.763160|19.213114|36.858105|
|2.201925|2.045358|2.136565|2.466085|2.757538|2.556242|3.237796|3.045235|3.529790|0.065963|3.155521|3.050209|2.913169|2.876390|2.962620|3.105489|20.358840|28.018857|5.563759|6.804658|11.540978|15.927657|73.516695|
|2.084079|1.925965|1.957354|2.176371|2.412002|2.345240|2.639126|2.450547|2.997160|0.056361|2.423480|2.378604|2.249401|2.172302|2.204415|2.325183|15.747057|21.584716|4.189111|5.028094|10.764884|12.597538|14.291405|36.858105|
|2.171855|2.014559|2.033894|2.230998|2.448874|2.407444|2.603809|2.421993|3.031498|0.057034|2.347862|2.330125|2.173783|2.057195|2.067063|2.200083|14.841142|20.407752|3.951961|4.350555|8.653272|7.636831|9.958076|13.747657|36.858105|
|1.936951|1.816329|1.823909|1.962291|2.115507|2.098665|2.209155|2.083475|2.658477|0.050659|2.028597|2.035791|1.923235|1.822071|1.815184|1.909048|13.386644|16.925626|3.080817|3.325573|6.006963|5.054524|7.360545|7.957022|13.791453|36.858105|
|1.715501|1.614840|1.623495|1.741843|1.869226|1.852029|1.962731|1.864600|2.374999|0.045604|1.841057|1.849112|1.776543|1.705414|1.697937|1.761013|12.751287|15.158525|2.666324|2.938613|5.144235|4.421097|6.742307|6.807505|7.894139|13.802825|36.858105|
|1.671549|1.568202|1.583615|1.715215|1.852627|1.823569|1.977438|1.876904|2.357647|0.045241|1.875874|1.871844|1.815705|1.767932|1.770475|1.822267|13.300943|15.622389|2.736177|3.124952|5.507059|4.986794|7.713316|7.876084|6.878133|8.023508|13.789957|36.858105|
|1.814900|1.689942|1.714942|1.886014|2.064320|2.014869|2.246222|2.113964|2.606727|0.049619|2.121210|2.094641|2.024079|1.982549|2.004028|2.072051|14.743638|18.245958|3.295914|3.934832|7.352215|7.472254|10.972950|13.677039|7.976339|6.957417|7.943262|13.751047|36.858105|
|1.687561|1.572373|1.601625|1.769391|1.938814|1.881535|2.140841|2.023353|2.467636|0.047171|2.067437|2.022579|1.989549|1.999929|2.043068|2.078117|15.118780|17.775586|3.059371|3.754658|6.365035|6.121634|10.536642|6.989900|4.765023|4.263175|4.797346|7.120728|11.002767|448.794386|
|1.949272|1.842947|1.838114|1.943758|2.067780|2.070875|2.108619|1.998765|2.605328|0.049869|1.922725|1.942994|1.823193|1.708460|1.692810|1.787709|12.541125|15.664033|2.784273|2.877555|4.902159|3.858816|5.857250|5.120746|7.791025|13.075519|7.782980|5.137720|4.541133|25.809397|53.358707|
|2.173080|2.053698|2.040633|2.149447|2.284664|2.298770|2.296851|2.167090|2.851122|0.054282|2.051035|2.070891|1.913008|1.773066|1.758266|1.878903|12.847960|16.756165|3.009032|3.006814|5.038832|3.807225|5.777139|4.683928|7.102379|8.389433|5.428255|4.102183|3.919658|23.281561|21.727400|73.516695|
|1.755996|1.672629|1.665289|1.743491|1.836943|1.844219|1.864378|1.781471|2.339562|0.045165|1.724034|1.749224|1.657742|1.560153|1.540754|1.613682|11.593827|13.768412|2.372108|2.453196|4.049560|3.181206|4.980190|4.086528|5.431909|8.394305|7.092966|4.686118|3.915015|23.324259|21.739164|16.006301|73.516695|
|17.717800|8.883993|5.630378|4.989373|5.660429|8.963008|4.037404|3.400972|5.014762|0.089695|2.691976|2.409968|2.054743|1.933997|2.065443|2.426702|13.193362|24.511472|3.207691|2.750903|3.405269|2.181746|3.668528|2.000180|2.092228|1.885283|1.675804|1.627845|1.754677|13.089390|2.597504|3.775012|3.073856|0.500000|
|8.877970|17.716922|8.977242|5.693380|4.952652|5.632275|3.621387|3.412688|5.627516|0.106459|2.729060|2.533356|2.146395|1.973105|2.056110|2.388679|13.464418|20.399835|2.682289|2.272205|2.864439|1.911796|3.289384|1.771392|1.861725|1.701972|1.520804|1.470463|1.569197|11.718348|2.372533|3.446969|2.838250|0.215600|0.500000|
|5.599212|8.897659|17.710188|8.826630|5.572164|4.883828|4.294157|4.599767|9.117641|0.187485|3.602573|3.418170|2.781803|2.466533|2.525988|2.974754|16.357932|22.036242|2.844990|2.331165|2.911657|1.990149|3.515627|1.817636|1.891161|1.714665|1.535083|1.494734|1.607066|12.072052|2.364355|3.414671|2.819860|0.123740|0.214902|0.500000|
|8.916577|5.607641|4.884795|5.621679|8.858310|17.722372|6.467081|4.547858|5.915966|0.099305|3.440802|2.902794|2.430691|2.321993|2.563455|3.134927|15.433374|42.259516|5.075579|4.107302|4.674015|2.841168|4.755332|2.472318|2.514532|2.176631|1.923871|1.905354|2.119299|15.942152|2.893208|4.168754|3.355001|0.214963|0.123839|0.106354|0.500000|
|2.899279|3.077198|3.821144|4.762510|4.185746|3.239284|4.923518|7.089096|9.334608|0.203609|8.897039|17.719894|8.963530|5.676640|4.958432|5.649682|31.662605|27.181626|3.766319|2.975589|3.713494|2.729075|5.226204|2.383364|2.387677|2.096216|1.884359|1.881062|2.084511|15.844189|2.762820|3.891202|3.243056|0.069499|0.075227|0.105141|0.081135|0.500000|
|2.132729|2.219337|2.594871|3.013560|2.814342|2.342304|3.280701|4.120224|5.185859|0.113386|5.619818|8.903190|17.750124|8.925286|5.641842|4.952595|53.809374|20.849032|2.898038|2.498811|3.184289|2.440048|4.848199|2.163325|2.109339|1.889991|1.752077|1.781158|1.963150|15.398454|2.455038|3.355809|2.933484|0.053028|0.056128|0.072409|0.061074|0.215714|0.500000|
|2.125532|2.100555|2.356104|2.805619|2.874687|2.430254|3.594470|4.107054|4.556768|0.091829|5.627799|4.960682|5.643407|8.927324|17.751370|8.912926|53.813508|26.204243|3.132362|2.849351|3.352789|2.472469|4.969808|2.091362|1.942669|1.716915|1.623120|1.705799|1.928906|16.078964|2.170664|2.922284|2.594566|0.053441|0.052551|0.062780|0.066065|0.107662|0.124245|0.500000|
|2.880918|2.782522|3.161852|4.049178|4.389789|3.482854|6.220340|7.015250|6.676419|0.124233|8.911872|5.653909|4.953722|5.672389|8.960930|17.764373|31.649988|44.124294|4.313095|3.615822|3.977220|2.766653|5.362239|2.282716|2.148932|1.863639|1.723539|1.789553|2.039237|16.552075|2.370860|3.250453|2.797273|0.070426|0.067229|0.080779|0.094014|0.124119|0.107581|0.215689|0.500000|
|4.117568|3.507539|3.571436|4.392129|5.803098|5.464285|6.603359|4.948575|5.660616|0.096091|4.100580|3.578079|2.982009|2.794801|3.015043|3.633345|18.282756|56.307564|17.596387|8.831726|9.551156|5.219265|8.331395|4.071288|4.095030|3.204732|2.706103|2.700197|3.172859|22.826283|4.051275|5.891198|4.462653|0.102400|0.082800|0.084904|0.165681|0.100172|0.074772|0.075897|0.102634|0.500000|
|3.243271|2.962117|3.189141|4.004359|4.800430|4.074728|6.384291|5.527433|5.800940|0.100864|5.191411|4.566133|3.808828|3.561462|3.825480|4.591067|22.546157|56.222667|17.621130|8.861401|9.468845|6.173041|11.390350|4.372936|4.112488|3.184296|2.748931|2.822440|3.414143|25.256567|3.896345|5.484404|4.324384|0.080271|0.071071|0.078772|0.115871|0.122822|0.093345|0.093774|0.123290|0.300691|0.500000|
|2.631435|2.349157|2.421721|2.873371|3.444909|3.220853|4.247669|3.637146|4.017821|0.072724|3.586197|3.138689|2.875860|2.933605|3.284507|3.688275|19.940835|46.117548|8.840399|17.630324|12.550312|7.333644|13.375334|4.694242|3.882643|3.051689|2.786378|3.045989|3.880549|31.915565|3.564783|4.769086|4.036617|0.068237|0.057920|0.060580|0.098265|0.081587|0.071611|0.087470|0.107459|0.173494|0.213621|0.500000|
|3.036428|2.592633|2.575122|3.006349|3.766547|3.789778|4.319779|3.460705|3.970717|0.070875|3.165217|2.756498|2.467124|2.462731|2.735896|3.144282|16.832160|46.578050|8.829539|17.592487|12.594104|5.825655|8.991448|4.295882|3.836435|3.048964|2.726785|2.880245|3.519216|27.324931|3.658363|4.994309|4.125021|0.080284|0.063699|0.063189|0.123707|0.073740|0.062115|0.072697|0.093410|0.210981|0.173669|0.302213|0.500000|
|2.641045|2.327067|2.306974|2.599976|3.058582|3.089379|3.320330|2.863488|3.448951|0.062948|2.678502|2.490642|2.265024|2.199796|2.322391|2.566309|15.430466|29.232987|6.221833|8.999100|26.092275|9.403684|10.877803|7.585509|6.764453|4.753881|3.991099|4.150341|5.305538|35.214298|5.315601|7.166288|5.679634|0.070851|0.058448|0.057786|0.095306|0.068878|0.058848|0.061137|0.072450|0.176753|0.151689|0.183354|0.230541|0.500000|
|2.444354|2.257919|2.277807|2.508119|2.768699|2.723194|2.915972|2.686483|3.376528|0.062910|2.551141|2.524760|2.306028|2.151570|2.164744|2.342709|15.253133|22.450579|4.517606|4.683389|9.085341|7.086189|9.447465|8.904106|17.779158|8.961085|5.644578|4.959800|5.656000|31.447079|9.826846|14.275784|8.863019|0.065000|0.057561|0.058392|0.078652|0.072786|0.061874|0.055903|0.063423|0.136503|0.130593|0.111255|0.113781|0.198640|0.500000|
|1.596067|1.511347|1.515399|1.609967|1.712677|1.703794|1.781597|1.702497|2.190436|0.042317|1.681020|1.695612|1.636067|1.570316|1.557729|1.608975|11.837911|13.585812|2.331799|2.529154|4.260836|3.541333|5.576062|4.923517|5.636648|8.934644|17.788915|8.900069|5.644241|31.756837|9.763448|8.823339|14.154683|0.043514|0.039824|0.040027|0.048953|0.048135|0.045077|0.041470|0.043743|0.066047|0.066556|0.066949|0.066103|0.091829|0.124477|0.500000|
|1.533201|1.443746|1.457623|1.571737|1.688866|1.663639|1.800090|1.718039|2.164653|0.041771|1.727756|1.725828|1.690360|1.658955|1.660158|1.693568|12.644797|14.185914|2.414641|2.746670|4.635336|4.073017|6.603896|5.629097|4.958463|5.682516|8.929783|17.764077|8.944969|54.848522|5.664401|6.051024|7.156810|0.041592|0.037767|0.038381|0.048225|0.047967|0.046202|0.044771|0.046289|0.065795|0.068945|0.075677|0.071298|0.096332|0.107703|0.213880|0.500000|
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