Version2.0 2020-07-30T17:30:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 04-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1C(=C(C=[NH+]1)C)C(=O)C2=C(C(=O)N([C@H]2c3ccccc3)[C@@H]4C=C(ON4)C)[O-] C39277060 RHF 6-31G(d) (6D,7F) C[C@@H]1C(=C(C=[NH+]1)C)C(=O)C2=C(C(=O)N([C@H]2c3ccccc3)[C@@H]4C=C(ON4)C)[O-] C01[X(C21H21N3O4)] 141 C1 462 CC1=C[C@H](NO1)N1C(=O)C(=C([C@@H]1c1ccccc1)C(=O)C1=C(C)C=[NH+][C@@H]1C)[O-] CC1=C[C@H](NO1)N1C(=O)C(=C([C@@H]1c1ccccc1)C(=O)C1=C(C)C=[NH+][C@@H]1C)[O-] C[C@H]1[NH+]=CC(=C1C(=O)C2=C([O-])C(=O)N([C@H]3NOC(=C3)C)[C@H]2c4ccccc4)C InChIKey=VNDYFGDPZOEWBA-SIIHOXLZSA-N InChI=1S/C21H21N3O4/c1-11-10-22-13(3)16(11)19(25)17-18(14-7-5-4-6-8-14)24(21(27)20(17)26)15-9-12(2)28-23-15/h4-10,13,15,18,23,26H,1-3H3/t13-,15-,18+/m1/s1 InChI=1/C21H21N3O4/c1-11-10-22-13(3)16(11)19(25)17-18(14-7-5-4-6-8-14)24(21(27)20(17)26)15-9-12(2)28-23-15/h4-10,13,15,18,23,26H,1-3H3/t13-,15-,18+/m1/s1/f/h26h,22H C[C@@H]1C(=C(C=[NH+]1)C)C(=O)C2=C(C(=O)N([C@H]2c3ccccc3)[C@@H]4C=C(ON4)C)[O-] C01[X(C21H21N3O4)] 141 C01 462 CC1=C[C@H](NO1)N1C(=O)C(=C([C@@H]1c1ccccc1)C(=O)C1=C(C)C=[NH+][C@@H]1C)[O-] CC1=C[C@H](NO1)N1[C@@H]([C]2[CH][CH][CH][CH][CH]2)[C]([C](=O)C1=O)[C](=O)C1=[C]([CH][NH][C@@H]1C)C C[C@H]1N[CH]C(=C1C(=O)[C]2[C@H]([C]3[CH][CH][CH][CH][CH]3)N([C@H]4NOC(=C4)C)C(=O)C2=O)C InChIKey=QGYNZBCQCWBKAH-SIIHOXLZSA-N InChI=1S/C21H21N3O4/c1-11-10-22-13(3)16(11)19(25)17-18(14-7-5-4-6-8-14)24(21(27)20(17)26)15-9-12(2)28-23-15/h4-10,13,15,18,22-23H,1-3H3/t13-,15-,18+/m1/s1 InChI=1/C21H21N3O4/c1-11-10-22-13(3)16(11)19(25)17-18(14-7-5-4-6-8-14)24(21(27)20(17)26)15-9-12(2)28-23-15/h4-10,13,15,18,22-23H,1-3H3/t13-,15-,18+/m1/s1 2649.1335463077 -1270.1251717 1-A 10982.8657 100 362 462 |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| -20.58743 -20.50813 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438.3783 455.4551 489.6400 494.4507 559.7375 571.7048 594.5921 605.1390 639.0219 670.2354 677.5658 682.0188 690.0104 696.4905 711.2421 768.6361 782.9450 826.4427 840.7322 847.9977 859.1654 887.5588 896.2185 912.8553 926.4651 941.6621 954.4202 978.1013 989.5093 1020.1275 1037.2327 1039.2544 1071.6570 1081.5229 1089.3380 1094.0617 1097.9170 1118.0871 1120.6127 1127.2102 1132.1258 1132.8125 1169.7105 1176.2747 1182.8036 1186.5305 1188.7002 1200.8120 1210.0331 1218.2279 1238.3103 1254.2892 1283.1804 1301.1638 1305.1218 1318.1418 1330.1477 1335.8782 1353.8093 1407.7845 1413.0326 1426.4277 1448.5895 1451.9296 1476.0089 1485.3981 1515.3007 1522.7754 1564.7530 1566.9697 1567.7886 1577.4726 1611.5359 1617.1633 1618.5815 1623.7547 1628.1389 1630.9124 1634.1564 1636.7582 1638.6271 1641.8431 1669.8675 1680.4881 1783.2448 1787.7793 1810.5196 1822.3398 1905.2855 1909.5628 2005.7740 3187.6355 3214.2186 3216.9641 3225.4795 3260.5887 3271.2717 3278.5743 3290.8020 3302.1208 3307.3651 3317.0304 3325.8192 3347.4561 3357.6655 3369.4472 3378.3481 3384.7070 3414.7346 3445.9355 3744.7842 3881.4514 4.7025 3.9139 4.8354 3.8463 5.0001 4.4794 5.2317 2.5712 1.2908 6.9104 7.1310 3.6270 5.4762 4.8261 2.1652 1.7228 3.1379 5.0013 3.7595 1.1963 4.1286 3.1678 5.0054 4.8915 4.2574 4.8764 4.5626 7.7144 3.1061 4.2001 2.9179 6.1336 5.8595 2.6870 4.6153 5.2337 5.1150 1.6642 4.3179 5.5890 4.1989 5.1014 3.6846 4.5886 3.9865 1.8246 4.0565 1.3658 5.0102 2.4875 3.8305 5.8476 7.0418 5.3909 5.1912 1.2540 4.2323 3.3889 2.5760 2.2659 1.6344 2.7976 2.9776 5.0772 1.8030 1.4314 1.3189 1.7041 2.0742 2.1250 1.5114 2.0777 1.5647 1.7822 1.6398 3.6321 2.1276 2.2867 2.2661 2.8515 1.6871 3.0550 1.1546 1.2454 2.6480 2.0821 1.8936 2.3402 2.3999 1.8672 2.6920 1.6774 1.5761 2.2512 2.3838 2.1641 1.5120 1.3826 1.3675 1.9414 1.5195 1.6333 1.1044 1.8203 1.9685 1.0655 1.0997 1.0651 1.0522 1.1572 1.2450 2.1740 3.3292 9.8918 5.7168 5.2719 6.5957 11.8111 7.9450 12.2964 1.0853 1.0389 1.0370 1.0376 1.0873 1.1036 1.1021 1.0926 1.0957 1.1034 1.1011 1.1035 1.0860 1.0896 1.0929 1.0950 1.0983 1.0989 1.0992 1.0768 1.0823 0.0008 0.0017 0.0029 0.0025 0.0079 0.0085 0.0108 0.0101 0.0057 0.0361 0.0466 0.0312 0.0685 0.0795 0.0397 0.0330 0.0772 0.1332 0.1331 0.0439 0.1634 0.1612 0.2808 0.2982 0.2893 0.3546 0.3587 0.6970 0.3428 0.4756 0.3566 0.8664 0.8440 0.4960 0.8888 1.0902 1.1036 0.4004 1.1428 1.5118 1.1507 1.4310 1.0531 1.3676 1.3877 0.6590 1.6324 0.5688 2.1227 1.0818 1.7779 2.7673 3.4573 2.7263 2.7121 0.6730 2.3856 1.9550 1.5794 1.4363 1.0400 1.8930 2.0520 3.5498 1.2715 1.0166 0.9714 1.2608 1.5528 1.6048 1.1428 1.6749 1.2756 1.4690 1.3602 3.0238 1.8075 1.9727 1.9815 2.5762 1.5638 2.9637 1.1518 1.2498 2.7108 2.1705 1.9910 2.5271 2.8023 2.1966 3.2272 2.0738 1.9576 2.8896 3.0989 2.9277 2.0657 1.9945 1.9783 2.8115 2.2278 2.4992 1.7017 2.8098 3.0580 1.6641 1.7233 1.6759 1.6608 1.8307 1.9774 3.5717 5.5394 18.5330 10.7655 10.1818 12.9054 25.2615 17.0691 29.1468 6.4974 6.3236 6.3228 6.3603 6.8106 6.9584 6.9799 6.9715 7.0393 7.1114 7.1379 7.1913 7.1699 7.2376 7.3103 7.3633 7.4131 7.5495 7.6902 8.8972 9.6073 1.8819 1.1172 3.4440 1.8934 4.2494 4.3702 1.4223 1.6292 2.4656 0.9064 1.4126 4.9712 0.8898 11.0484 10.3444 2.7260 14.3251 6.7936 4.4138 1.1245 13.1412 3.4279 1.9824 1.0376 2.0440 3.4084 12.8004 8.2366 18.8206 2.0631 0.3666 2.5767 12.9712 79.7063 18.0783 21.0152 12.3797 41.0474 13.9191 1.9083 7.5123 13.8606 26.2316 17.9781 6.9484 41.3525 20.0692 36.4907 4.7589 34.3558 1.6657 33.4648 9.4815 15.3092 58.3554 1.1762 19.9454 20.1671 46.0695 82.5181 8.1310 8.0729 2.8036 0.8507 30.2790 0.6776 0.5455 9.3766 3.1085 11.6199 1.1420 43.2975 5.9476 4.2988 5.1656 2.2701 13.6598 18.1344 4.3889 58.1517 120.5381 24.6178 0.3201 22.1205 16.2897 187.6540 52.3924 211.2337 2.4717 64.7285 14.5398 6.8588 44.6663 118.8837 55.5938 319.1893 210.3468 90.0320 16.9157 172.2491 76.9497 10.0318 31.6955 151.9943 3.4877 6.6053 14.2709 26.7674 7.7524 24.3362 109.4112 8.5773 77.0317 832.7392 170.9851 12.0997 50.0908 284.9818 97.6766 460.0697 34.7197 28.0897 30.4147 27.0734 26.6003 22.0858 16.9769 20.1003 6.1670 18.8284 3.4051 5.3903 1.3991 7.9155 39.9614 41.8705 15.5063 4.2352 1.9742 0.5083 192.4188 0.5254 2.7555 2.9059 5.4255 2.8702 1.1551 3.4192 1.6813 0.4677 2.1360 0.6471 0.3862 3.2642 0.8098 0.4859 0.6999 0.5634 1.5785 0.9243 1.0283 1.9516 1.7652 2.0274 1.6244 2.5295 1.2185 0.8953 1.7454 0.3091 1.1309 0.1423 1.4185 1.5899 2.1080 1.2920 2.2701 3.2008 6.4420 2.6101 6.2576 3.1866 2.9995 4.4200 8.3543 6.7268 4.7619 4.7397 3.0459 3.7576 6.7489 3.0021 5.1847 6.3458 1.9301 2.1885 2.3470 9.0354 6.2883 2.1814 2.9625 2.8658 1.7467 3.4741 25.6482 4.6567 2.0244 0.2933 1.0397 1.8715 7.6017 13.8111 0.5728 1.1589 0.6967 2.7565 7.5022 8.1630 9.4560 2.0220 8.1118 7.0385 4.2255 4.8662 8.2574 11.2289 14.0516 5.8552 10.9057 4.8265 3.2984 8.2693 6.6449 7.2205 2.9636 33.9213 6.9298 4.2206 11.1116 9.8877 24.7393 6.2437 21.2041 16.0747 6.5092 4.4995 21.3090 7.8966 13.7555 7.5694 6.5634 45.9179 0.9534 60.7051 50.6976 11.0856 29.3765 8.0526 42.8202 27.2331 27.3984 47.6106 117.2263 183.7421 116.0077 72.8925 71.4585 98.6089 62.4770 45.5866 65.7338 34.3964 35.3511 36.6997 114.3330 56.0819 12.3291 281.9762 121.0328 43.8920 106.7867 100.6782 0.7182 0.7476 0.7424 0.7461 0.6624 0.7486 0.7498 0.7488 0.6532 0.7366 0.7411 0.7012 0.4175 0.6060 0.7462 0.6503 0.4595 0.7167 0.7042 0.7423 0.6928 0.5315 0.7201 0.4755 0.3979 0.3898 0.6719 0.2722 0.6691 0.7383 0.7090 0.3803 0.2631 0.2108 0.4439 0.7089 0.7348 0.0368 0.1505 0.7480 0.7498 0.6406 0.2693 0.0323 0.1750 0.4371 0.6799 0.6792 0.7374 0.1174 0.1174 0.0967 0.2085 0.6742 0.3408 0.7442 0.0920 0.2370 0.7491 0.7316 0.7448 0.6194 0.0974 0.1233 0.5257 0.1393 0.7277 0.7174 0.4070 0.1885 0.3585 0.6524 0.6542 0.5744 0.4989 0.5217 0.7267 0.5050 0.7039 0.2367 0.4449 0.5847 0.6566 0.3400 0.1767 0.7338 0.4311 0.7245 0.2551 0.6231 0.6956 0.6686 0.6294 0.6186 0.3389 0.7129 0.5092 0.3795 0.6711 0.4967 0.5064 0.1451 0.6821 0.7069 0.5828 0.6759 0.7151 0.7342 0.6994 0.6117 0.7254 0.3364 0.1687 0.5533 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0.6855 0.4818 0.4612 0.5251 0.3731 0.1323 0.0976 0.1077 0.3548 0.8530 0.8563 0.7256 0.7271 0.8571 0.8471 0.7916 0.8425 0.8548 0.8120 0.3358 0.2003 0.4745 0.4575 0.4561 0.4477 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 1 6 6 6 7 1 6 6 8 6 6 6 8 7 6 1 6 6 6 6 6 6 6 1 6 6 8 7 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 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 7116.4008 13856.9876 17996.2801 0.99998 -0.00351 -0.00474 0.00356 0.99993 0.01089 0.00471 -0.01091 0.99993 1 0.01217 0.00625 0.00481 0.25360 0.13024 0.10028 24.78 39.02 45.75 47.94 74.27 81.48 85.22 117.36 124.64 135.43 151.60 173.85 209.61 240.65 253.81 259.33 293.98 305.87 352.74 358.92 372.90 422.83 443.98 462.81 488.59 505.45 525.54 563.43 622.73 630.73 655.30 704.48 711.40 805.34 822.56 855.49 870.66 919.41 964.32 974.87 981.27 992.77 1002.09 1023.32 1105.90 1126.48 1189.07 1209.63 1220.08 1236.15 1277.00 1289.46 1313.40 1332.98 1354.84 1373.20 1407.27 1423.68 1467.74 1492.35 1495.26 1541.88 1556.07 1567.31 1574.11 1579.66 1608.68 1612.31 1621.80 1628.88 1629.86 1682.95 1692.40 1701.79 1707.15 1710.27 1727.70 1740.97 1752.76 1781.65 1804.64 1846.21 1872.08 1877.78 1896.51 1913.79 1922.03 1947.83 2025.49 2033.04 2052.31 2084.20 2089.00 2123.65 2137.16 2180.18 2190.93 2251.33 2254.52 2255.70 2269.63 2318.64 2326.74 2328.78 2336.22 2342.53 2346.52 2351.19 2354.93 2357.62 2362.25 2402.57 2417.85 2565.69 2572.22 2604.93 2621.94 2741.28 2747.44 2885.86 4586.30 4624.54 4628.49 4640.75 4691.26 4706.63 4717.14 4734.73 4751.02 4758.56 4772.47 4785.11 4816.24 4830.93 4847.88 4860.69 4869.84 4913.04 4957.93 5387.91 5584.54 0.421044 0.445513 0.446457 0.363369 -1269.704128 -1269.679659 -1269.678715 -1269.761803 2.786785D-04 MUNgauss RevisionA2.0 retrievium 30-Jul-2020 DUDE C[C@@H]1C(=C(C=[NH+]1)C)C(=O)C2=C(C(=O)N([C@H]2c3ccccc3)[C@@H]4C=C(ON4)C)[O-] C39277060 RHF 6-31G(d) (6D,10F) C1 379.153206 |X|Y|Z| 82.549513 56.422267 31.382764 52.676722 22 6 7 8 18 3 1 |36.858105| |12.461190|36.858105| |8.739580|17.607113|0.500000| |7.482396|12.738741|0.252253|36.858105| |5.478913|8.118476|0.175532|14.090508|36.858105| |5.607557|8.404982|0.180521|8.625701|13.400482|36.858105| |7.660466|13.016042|0.254924|8.359184|8.439868|14.725852|53.358707| |6.593118|8.704063|0.205961|5.861224|5.927917|9.360457|26.024902|0.500000| |3.915404|4.987672|0.119878|7.397751|12.673687|7.321112|7.023444|0.115218|36.858105| |5.950020|7.229600|0.179389|12.570717|7.425843|5.157596|6.923205|0.113069|5.946579|36.858105| |5.552176|5.721473|0.136852|8.266587|6.043103|4.434648|5.907477|0.099695|5.316343|15.634935|73.516695| |4.648352|5.667282|0.164573|7.711442|5.507604|4.208640|5.742682|0.098220|4.805739|13.635832|14.305966|36.858105| |4.267587|5.562834|0.182825|6.618001|5.120398|4.226924|5.885487|0.102656|4.381379|7.657672|9.305374|13.539127|36.858105| |3.308488|3.914626|0.125514|4.352079|3.651145|3.160933|4.399496|0.080363|3.354124|5.134626|7.203457|8.105311|12.418915|36.858105| |2.915187|3.409908|0.110686|3.604999|3.146297|2.843630|3.988297|0.074756|2.907347|3.961935|5.790025|5.451659|7.850908|15.975126|73.516695| |3.115970|3.503230|0.106373|4.015328|3.375073|2.859708|3.929809|0.071716|3.208249|5.186973|7.724475|8.217290|8.186001|13.968487|14.731612|53.358707| |3.604415|3.985085|0.115248|4.875700|3.923551|3.172343|4.319918|0.077080|3.721196|7.421362|11.161157|12.627029|7.934593|8.043232|9.617304|17.700841|36.858105| 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|2.330056|2.556608|0.070156|3.135887|3.042836|2.491483|3.146660|0.057421|3.456545|3.826073|6.725262|4.231098|3.652100|3.705696|5.622016|6.039125|4.992253|0.116793|7.897913|6.896610|7.960122|13.721620|36.858105| |2.674554|2.995883|0.083520|3.751012|3.495250|2.805085|3.580372|0.064589|3.825418|4.831917|8.018802|5.885205|4.906549|5.044537|7.186934|8.753207|7.494118|0.155912|13.683115|7.974941|6.891160|7.929571|13.777971|36.858105| |2.598377|2.806538|0.084183|3.098895|2.692774|2.351042|3.241580|0.060447|2.605278|3.821487|6.122630|5.156206|5.105905|7.647586|11.520749|17.915820|7.576687|0.194530|6.072782|4.723100|3.765796|3.566903|4.055568|5.322860|36.858105| |2.513145|2.664004|0.077926|2.985137|2.612020|2.259255|3.088004|0.057458|2.570372|3.765137|6.293442|4.852914|4.420809|5.751463|8.587014|12.831391|7.633479|0.208364|7.100014|5.790295|4.513451|4.137629|4.549033|5.851533|17.601823|0.500000| |2.230407|2.434102|0.073107|2.658107|2.396058|2.130286|2.908644|0.054877|2.361418|3.102422|4.983948|3.981999|4.221542|6.201029|11.174201|10.403271|5.047889|0.126745|4.587264|3.706642|3.204999|3.215919|3.745279|4.615114|12.683889|0.244211|36.858105| |2.121226|2.290507|0.069612|2.421897|2.181989|1.985689|2.752173|0.052614|2.114753|2.748255|4.429318|3.429165|3.738902|5.339532|10.723344|7.870444|4.086640|0.107916|3.598757|3.049648|2.668704|2.643451|2.978636|3.533308|8.366193|0.171929|14.481877|36.858105| |2.272066|2.408740|0.073837|2.493850|2.200095|2.015474|2.844905|0.054564|2.086515|2.846525|4.604110|3.538206|3.812703|5.339286|10.406505|7.877235|4.216224|0.117799|3.515122|3.045279|2.605462|2.499051|2.739806|3.261386|8.223496|0.169630|8.540290|14.064223|73.516695| |2.560575|2.687295|0.081652|2.830603|2.437974|2.188914|3.092041|0.058537|2.301036|3.384058|5.502858|4.323866|4.383336|6.124072|10.283204|10.647407|5.644875|0.166717|4.429363|3.805062|3.104356|2.879657|3.123580|3.834522|12.941732|0.254322|8.229929|8.520318|23.980707|53.358707| |1.871457|2.019001|0.061252|2.104169|1.934069|1.792819|2.481666|0.048016|1.883085|2.311655|3.750387|2.781682|3.071620|4.072078|8.534282|5.567487|3.135818|0.083087|2.852390|2.483100|2.242998|2.257748|2.525376|2.880072|5.078067|0.116995|7.429750|12.799769|14.162428|7.177126|36.858105| |4.447973|6.359007|0.228093|6.898368|5.624578|4.966190|7.047568|0.122595|4.533967|6.303760|7.990101|7.962230|15.639836|7.873672|11.752988|7.452365|5.293298|0.124166|4.082274|3.265692|2.747829|2.695227|3.104004|3.913341|3.942226|0.096398|3.493893|3.225114|5.821423|4.853366|2.784446|73.516695| |17.595758|8.786681|0.172074|6.820654|5.509286|5.602771|9.442886|0.166633|4.046011|5.506741|10.033686|4.136107|3.684828|2.922192|4.587833|3.838420|3.308763|0.093678|2.917823|2.823930|2.460890|2.250585|2.297048|2.583536|2.386103|0.065184|2.063900|1.949866|3.674394|3.165846|1.728964|6.720913|0.500000| |17.566984|8.827656|0.210314|5.491871|4.432271|4.868460|9.359671|0.189456|3.312759|4.520104|7.524321|3.833296|3.709072|2.994364|4.836259|3.792785|3.100214|0.088278|2.634713|2.492298|2.164562|2.001653|2.072772|2.354360|2.378252|0.063457|2.073782|2.005226|3.839283|3.253573|1.792577|7.046983|0.299421|0.500000| |17.614861|8.876456|0.211090|6.748689|4.766403|4.516025|7.608993|0.136193|3.614636|6.485368|11.067609|5.161418|4.517011|3.571232|5.494341|4.696373|4.092361|0.120976|3.340726|3.174861|2.648755|2.378426|2.445275|2.839906|2.875161|0.077607|2.405221|2.285082|4.422748|3.906348|1.986164|7.862935|0.301359|0.301332|0.500000| |4.394376|5.793826|0.136172|5.859792|8.514446|17.725283|12.571797|0.218907|6.428853|4.052190|6.442983|3.459715|3.521114|2.760776|4.514036|3.418401|2.731985|0.070405|2.556362|2.337614|2.149577|2.131032|2.293891|2.526264|2.109145|0.056453|1.945822|1.822541|3.263501|2.678469|1.667587|7.285963|0.124857|0.111885|0.101273|0.500000| |3.421324|4.397536|0.112384|6.079402|8.871596|6.204964|6.230057|0.105590|17.561476|5.160740|7.907121|4.645999|4.520714|3.515438|5.486382|4.480346|3.663048|0.087523|3.705273|3.205063|2.985946|3.123237|3.587265|3.985788|2.667025|0.072249|2.470584|2.201606|3.800368|3.165471|1.972735|8.483996|0.095102|0.082664|0.088983|0.160295|0.500000| |3.550317|4.287979|0.102593|5.644044|8.865866|6.749429|6.422055|0.109532|17.557731|4.618149|7.836832|3.803703|3.522043|2.818027|4.447323|3.696740|3.097904|0.077779|3.157724|2.922639|2.777218|2.822330|3.036216|3.229481|2.273521|0.062687|2.085846|1.888404|3.315887|2.773819|1.702858|6.534646|0.105181|0.085418|0.089808|0.185925|0.300959|0.500000| |3.787867|4.560313|0.110614|6.917414|8.948036|5.536145|5.936908|0.099364|17.617467|6.673626|11.367384|5.223226|4.393596|3.434153|5.180414|4.668074|4.164169|0.101079|4.416205|3.992697|3.697117|3.721928|4.066234|4.470153|2.780865|0.077747|2.480911|2.188980|3.836843|3.293119|1.925503|7.543352|0.109751|0.087906|0.100994|0.134213|0.301379|0.301969|0.500000| |3.036297|3.039885|0.082001|3.608211|3.117821|2.579142|3.464409|0.063053|3.120301|5.032209|10.447069|5.180770|3.842588|3.760930|5.479574|6.580739|7.021792|0.226975|8.934995|17.713434|8.921041|5.649296|4.964077|5.661008|4.458302|0.149986|3.426712|2.918530|5.364091|5.225907|2.381653|5.587538|0.083205|0.073158|0.095891|0.063532|0.081542|0.076656|0.101680|0.500000| |2.309888|2.342624|0.062606|2.759063|2.585652|2.176838|2.836621|0.052356|2.770356|3.433082|6.928016|3.424776|2.803779|2.770545|4.259261|4.536015|4.085233|0.114352|5.631688|8.915978|17.708442|8.918533|5.650762|4.960761|3.235578|0.106408|2.791619|2.389085|4.198394|3.790787|2.038925|4.314969|0.065095|0.057030|0.069278|0.055469|0.073562|0.070777|0.090881|0.215684|0.500000| 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