Version2.4
2021-06-07T00:04:35Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
03-Nov-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOc1ccc(cc1OC)[C@@H]2C(=C(C(=O)N2Cc3ccco3)[O-])C(=O)c4c(nc5n4cccc5)C C35420181
RHF
6-31G(d)
(6D,7F)
CCOc1ccc(cc1OC)[C@@H]2C(=C(C(=O)N2Cc3ccco3)[O-])C(=O)c4c(nc5n4cccc5)C
C01[X(C27H24N3O6)]
174
C1
588
CCOc1ccc(cc1OC)[C@H]1N(Cc2ccco2)C(=O)C(=C1C(=O)c1c(C)nc2n1cccc2)[O-]
CCOc1ccc(cc1OC)[C@H]1N(Cc2ccco2)C(=O)C(=C1C(=O)c1c(C)nc2n1cccc2)[O-]
CCOc1ccc(cc1OC)[C@H]2N(Cc3occc3)C(=O)C(=C2C(=O)c4n5ccccc5nc4C)[O-]
InChIKey=JEYDGZBKKHPXJL-XMMPIXPASA-M
InChI=1S/C27H25N3O6/c1-4-35-19-11-10-17(14-20(19)34-3)24-22(26(32)27(33)30(24)15-18-8-7-13-36-18)25(31)23-16(2)28-21-9-5-6-12-29(21)23/h5-14,24,32H,4,15H2,1-3H3/p-1/t24-/m1/s1
InChI=1/C27H25N3O6/c1-4-35-19-11-10-17(14-20(19)34-3)24-22(26(32)27(33)30(24)15-18-8-7-13-36-18)25(31)23-16(2)28-21-9-5-6-12-29(21)23/h5-14,24,32H,4,15H2,1-3H3/p-1/t24-/m1/s1/fC27H24N3O6/h32h/q-1
CCOc1ccc(cc1OC)[C@@H]2C(=C(C(=O)N2Cc3ccco3)[O-])C(=O)c4c(nc5n4cccc5)C
C01[X(C27H24N3O6)]
174
C01
588
CCOc1ccc(cc1OC)[C@H]1N(Cc2ccco2)C(=O)C(=C1C(=O)c1c(C)nc2n1cccc2)[O-]
CCO[C]1[CH][CH][C]([CH][C]1OC)[C@H]1N(CC2=[CH][CH]=CO2)C(=O)[C]([C]1[C]([O])C1=[C]([N][C]2[CH]=[CH][CH]=CN12)C)=O
CCO[C]1[CH][CH][C]([CH][C]1OC)[C@@H]2[C]([C]([O])C3=C(C)[N][C]4C=CC=CN34)C(=O)C(=O)N2Cc5occc5
InChIKey=JIURMQDAUMHRFL-XMMPIXPASA-N
InChI=1S/C27H24N3O6/c1-4-35-19-11-10-17(14-20(19)34-3)24-22(26(32)27(33)30(24)15-18-8-7-13-36-18)25(31)23-16(2)28-21-9-5-6-12-29(21)23/h5-14,24H,4,15H2,1-3H3/t24-/m1/s1
InChI=1/C27H24N3O6/c1-4-35-19-11-10-17(14-20(19)34-3)24-22(26(32)27(33)30(24)15-18-8-7-13-36-18)25(31)23-16(2)28-21-9-5-6-12-29(21)23/h5-14,24H,4,15H2,1-3H3/t24-/m1/s1
3818.5708166315
-1648.9389073
1-A
18802.0275
128
460
588
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9.97942
8.4052 -6.5136 4.8620
11.6924
|XX|YY|ZZ|XY|XZ|YZ|
-257.7159 -231.7587 -225.6029 16.5496 -8.2152 29.3846
|XX|YY|ZZ|XY|XZ|YZ|
-19.3568 6.6005 12.7563 16.5496 -8.2152 29.3846
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
199.4593 -63.5550 70.1461 -22.0107 -50.8998 -0.9176 86.3408 -66.9684 72.5787 16.8864
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-14654.6652 -9569.3435 -2548.4862 350.4703 -48.6144 12.7557 403.5926 63.6159 165.6829 -3923.9919 -2704.5620 -2076.0197 123.1579 -77.6863 -38.5795
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11.8667 15.6878 19.1029 23.7140 32.4268 41.0673 46.5498 55.9376 68.0024 71.0699 81.1483 104.4418 110.8325 113.9818 143.2166 146.8424 163.0711 171.2598 172.4879 178.6434 193.2545 202.3239 224.9279 259.3924 276.5966 285.7922 289.7905 297.5206 303.2324 313.9794 328.3500 349.8832 359.0840 372.6083 382.6128 391.0639 413.1644 435.4806 471.4281 485.0053 500.8896 519.4038 552.0280 566.6716 584.2248 603.9822 629.0691 642.2857 644.0280 662.6928 676.8701 680.7039 689.8162 707.3946 726.7312 749.5240 776.7497 803.0746 818.4640 829.5018 839.0420 846.4093 851.9829 852.5571 866.7584 873.9533 896.3832 899.0808 917.9613 927.1245 936.8618 936.9620 964.2656 973.3835 987.6833 991.4181 1007.1535 1013.9456 1018.0790 1029.1328 1053.0456 1057.6264 1074.9736 1091.7218 1096.3213 1100.8667 1102.3867 1127.7576 1167.7116 1172.2900 1177.2664 1188.6641 1213.5242 1222.0220 1226.8161 1249.4408 1252.1756 1272.6478 1278.9476 1285.4217 1295.4589 1301.7070 1308.7360 1318.0765 1335.0458 1339.0771 1351.9782 1367.8910 1382.7826 1384.1066 1411.2186 1415.6367 1430.2936 1435.0790 1447.3408 1453.0882 1457.9436 1490.1568 1507.8004 1522.7617 1524.8204 1543.1816 1552.1988 1566.6811 1569.6893 1585.8168 1594.2362 1609.6995 1613.1918 1625.9274 1629.0132 1630.4043 1632.2889 1638.2547 1645.8977 1650.7022 1665.7020 1679.7616 1682.2245 1706.3422 1707.0333 1720.1690 1729.2752 1760.5195 1791.5589 1804.9338 1817.9464 1850.1755 1910.0883 1969.1862 3187.3683 3201.1483 3209.2757 3210.3543 3217.6481 3222.7279 3231.5036 3265.2584 3272.0314 3289.2519 3290.4174 3303.6686 3304.6832 3314.5450 3358.0179 3371.2667 3390.1313 3395.7125 3403.0288 3422.4485 3426.8381 3441.6248 3474.7520 3475.8700
4.8265 4.9431 5.0185 5.1420 4.8706 4.8902 5.1750 7.5839 3.2206 5.7993 7.0580 3.9613 2.3233 4.9150 4.9000 3.9890 3.5835 5.7044 4.7535 1.1635 6.0546 4.6776 2.3587 5.1345 1.1791 5.1733 4.7235 4.7204 2.1017 3.2729 4.4611 3.9616 3.0186 7.6139 3.9768 3.9241 4.6685 7.0410 6.3311 3.5347 5.6240 3.2105 5.3587 6.1090 9.3710 4.9794 6.9509 4.6087 4.5037 3.0080 6.7020 5.4028 5.7601 4.4548 5.6664 5.0955 5.2409 4.1197 4.7372 2.7252 2.6378 1.8172 5.0502 1.4583 4.7792 5.3834 3.7186 1.4770 2.6628 1.4481 1.6912 1.7302 5.9673 6.1010 1.7307 1.3712 2.7370 5.2159 2.5523 3.9572 1.3687 2.7548 2.8463 1.6857 1.5953 1.3190 1.5748 2.1974 3.5811 2.6335 1.7552 3.4212 2.9465 3.5032 2.8571 1.2813 2.1953 1.7362 1.7053 1.9279 1.2792 1.5230 2.4333 2.6801 1.6167 2.1844 1.9686 3.4940 3.4531 2.8852 2.3077 3.9034 1.1014 1.6920 2.2707 2.0470 3.8734 1.6659 2.9497 2.8624 1.4254 1.2374 3.0986 2.2367 1.7989 1.4093 2.3776 2.9522 2.3627 1.2880 1.0421 1.0715 1.1287 1.2691 1.0554 1.0541 1.0583 4.9671 1.1702 2.5652 4.7169 6.5434 6.7702 9.3067 6.5533 6.0564 5.7889 5.7693 12.5219 12.3986 1.0555 1.0349 1.0395 1.0850 1.0429 1.1081 1.0675 1.1037 1.1004 1.0950 1.1048 1.1041 1.0978 1.1033 1.0891 1.0892 1.0928 1.0934 1.0966 1.0908 1.0925 1.0992 1.0968 1.1056
0.0004 0.0007 0.0011 0.0017 0.0030 0.0049 0.0066 0.0140 0.0088 0.0173 0.0274 0.0255 0.0168 0.0376 0.0592 0.0507 0.0561 0.0986 0.0833 0.0219 0.1332 0.1128 0.0703 0.2035 0.0531 0.2490 0.2337 0.2462 0.1139 0.1901 0.2834 0.2857 0.2293 0.6228 0.3430 0.3536 0.4695 0.7867 0.8290 0.4899 0.8313 0.5103 0.9621 1.1558 1.8845 1.0702 1.6206 1.1202 1.1006 0.7783 1.8091 1.4750 1.6149 1.3134 1.7632 1.6866 1.8630 1.5654 1.8697 1.1048 1.0941 0.7670 2.1598 0.6245 2.1154 2.4226 1.7604 0.7035 1.3220 0.7334 0.8746 0.8949 3.2690 3.4058 0.9947 0.7941 1.6357 3.1594 1.5586 2.4693 0.8942 1.8155 1.9379 1.1837 1.1297 0.9418 1.1276 1.6466 2.8770 2.1324 1.4333 2.8481 2.5566 3.0823 2.5336 1.1785 2.0281 1.6568 1.6434 1.8768 1.2648 1.5205 2.4555 2.7433 1.6977 2.3077 2.1200 3.8520 3.8902 3.2566 2.7078 4.6089 1.3276 2.0531 2.8025 2.5466 4.8509 2.1795 3.9511 3.9106 1.9527 1.7362 4.3985 3.2346 2.6115 2.0881 3.5604 4.5070 3.6227 2.0062 1.6294 1.6781 1.7718 2.0068 1.6844 1.6923 1.7301 8.2575 1.9511 4.4006 8.0983 11.4076 11.9284 16.9952 12.3929 11.6249 11.2722 11.6359 26.9171 28.3268 6.3176 6.2486 6.3082 6.5884 6.3618 6.7808 6.5678 6.9334 6.9413 6.9800 7.0478 7.1000 7.0635 7.1416 7.2359 7.2938 7.4001 7.4286 7.4820 7.5278 7.5588 7.6709 7.8025 7.8698
0.4443 0.3518 0.2060 1.7689 0.2918 1.6637 0.4966 1.3110 7.4454 2.0516 0.4701 0.8729 2.7672 0.7704 5.0164 0.5830 1.0939 2.0779 4.2790 1.2900 7.8484 1.2827 1.6495 4.5497 1.2535 16.9504 0.7778 8.2232 1.4388 8.9436 1.6256 1.3198 0.6824 2.0170 4.1317 3.0123 0.7204 3.6645 11.7820 5.5218 8.0369 1.0498 1.6091 2.2065 21.5611 9.3700 6.4130 1.6530 1.5622 8.8954 30.0215 3.4126 27.8346 13.9776 2.4349 7.0711 3.2593 12.0914 10.5489 6.0765 32.2985 70.5448 37.8964 42.5827 31.6155 35.3362 11.3124 8.6005 23.1738 16.8285 25.6572 53.1558 14.2183 4.3799 17.0732 1.8217 7.9520 7.1224 10.4193 26.3321 0.5621 15.6955 8.9018 20.8660 13.1810 1.3211 10.1054 2.4271 37.5652 20.6921 5.7246 16.8947 34.6233 37.5845 4.0569 14.4288 7.1475 58.3835 38.0741 180.5126 5.2882 4.7661 60.5629 26.6612 27.4231 25.8459 85.9202 22.4461 236.5661 89.8266 8.4204 9.7977 1.0556 82.6231 204.1676 84.8124 94.1663 52.6160 9.0523 184.8342 9.0428 14.9014 413.4075 109.2223 137.7148 87.4231 219.0907 293.4944 20.0698 104.9580 2.0289 12.2800 8.4213 2.6629 3.6881 6.5695 21.3406 99.3510 56.9420 232.4601 7.9591 154.6224 182.4806 412.3600 7.8830 5.0993 25.7249 61.6717 368.4428 576.4995 35.2880 55.8691 49.6899 42.3222 56.4686 44.6450 36.3689 48.4430 48.5538 26.0619 52.1190 68.4465 5.0621 14.7463 22.4386 12.7711 22.5044 23.7477 23.2862 5.3346 12.3705 4.3862 9.1030 8.2071
2.2855 2.9756 0.9674 2.6602 3.0461 1.8421 4.0524 3.3155 0.7210 2.2585 3.4488 1.0251 0.4572 0.8311 1.5914 0.4235 2.1718 0.8149 1.3270 1.3182 0.3753 0.9153 2.5093 2.3441 0.0133 1.4126 1.1259 1.7067 0.6316 0.5187 1.5428 1.4006 0.7711 0.3648 1.2007 3.5301 2.1015 1.5718 1.3782 1.6100 4.4445 0.7878 8.7961 3.9194 2.1490 2.2198 0.9040 0.7895 3.8484 1.2863 2.5361 5.2007 3.1455 2.9602 2.0940 2.8767 3.6774 1.9899 3.7058 1.2857 5.3921 2.5521 9.7155 4.1760 18.8637 10.9169 2.9143 0.6759 3.8668 2.7429 5.3986 0.6282 14.7562 5.6627 1.3530 3.0864 4.2420 12.7923 4.5936 4.5288 1.3091 2.6840 16.8766 2.9120 3.7943 1.9898 5.5591 16.0665 9.8811 4.1637 3.6677 6.7818 13.6665 8.9108 8.4495 9.3827 1.9478 6.4185 11.3776 5.0415 3.7888 1.3077 13.6784 11.2636 6.7512 14.7299 41.1474 92.3649 1.0588 4.6081 11.7834 87.5386 13.7445 12.3832 11.3362 16.0006 102.4280 17.6303 39.3108 27.0242 2.6413 0.3427 6.9067 12.3660 29.3781 4.8312 1.7134 10.6934 11.1155 27.6204 23.3570 20.3412 16.0157 4.0624 18.8660 19.9492 13.4664 141.0364 11.0365 4.9210 84.3707 9.4149 31.4765 228.9609 8.6552 18.3002 68.9109 44.1296 44.6832 33.2709 37.4639 89.5709 155.6066 61.0133 175.4122 57.0765 75.1133 47.2836 85.2582 65.3778 43.7129 125.5908 56.6630 46.5103 107.2163 27.2404 128.1685 93.4808 195.9373 43.6542 85.6970 52.8431 56.9357 128.4468
0.7481 0.7441 0.7260 0.7483 0.7431 0.7325 0.7366 0.6603 0.7309 0.7402 0.7499 0.7275 0.7449 0.5177 0.7300 0.5511 0.7311 0.6880 0.5873 0.6862 0.4531 0.7067 0.7481 0.5042 0.6999 0.1991 0.4429 0.1761 0.5426 0.5891 0.3122 0.7469 0.7231 0.4480 0.6019 0.6505 0.0795 0.7074 0.6832 0.3265 0.3086 0.7310 0.3145 0.4139 0.3612 0.2044 0.1800 0.3793 0.3287 0.7059 0.6442 0.2738 0.3519 0.7499 0.1319 0.2874 0.5263 0.6810 0.4482 0.4224 0.6868 0.6336 0.3653 0.6391 0.1296 0.1949 0.4289 0.4849 0.0755 0.5971 0.5569 0.1708 0.2067 0.7044 0.3193 0.6494 0.6197 0.3219 0.4408 0.0324 0.7015 0.2637 0.2127 0.6975 0.7253 0.7372 0.2223 0.3136 0.1991 0.2164 0.5929 0.6896 0.2735 0.2920 0.4340 0.2225 0.3901 0.5825 0.3047 0.0276 0.7345 0.7119 0.0916 0.0955 0.6506 0.3151 0.4406 0.4086 0.7469 0.6438 0.4729 0.5042 0.7450 0.2581 0.1579 0.0734 0.1864 0.5907 0.3555 0.7495 0.7277 0.6327 0.3468 0.4097 0.5666 0.7463 0.6611 0.7476 0.7438 0.5949 0.7480 0.6541 0.6222 0.6864 0.7027 0.7291 0.6344 0.2339 0.3408 0.4155 0.2358 0.4260 0.7138 0.2959 0.3638 0.3300 0.5345 0.6320 0.5676 0.3751 0.2796 0.0321 0.0254 0.2133 0.1167 0.7338 0.0562 0.5953 0.7496 0.6581 0.7485 0.5274 0.3947 0.7450 0.5332 0.6594 0.3944 0.1822 0.1750 0.2280 0.7112 0.1512 0.2145 0.1757
0.8559 0.8533 0.8413 0.8560 0.8526 0.8456 0.8484 0.7954 0.8445 0.8507 0.8571 0.8422 0.8538 0.6822 0.8439 0.7106 0.8447 0.8151 0.7400 0.8139 0.6236 0.8281 0.8559 0.6704 0.8235 0.3320 0.6139 0.2994 0.7035 0.7414 0.4759 0.8551 0.8393 0.6188 0.7514 0.7883 0.1472 0.8287 0.8118 0.4922 0.4717 0.8446 0.4786 0.5855 0.5307 0.3394 0.3050 0.5500 0.4947 0.8276 0.7836 0.4299 0.5206 0.8571 0.2331 0.4465 0.6896 0.8102 0.6189 0.5939 0.8143 0.7757 0.5351 0.7799 0.2295 0.3262 0.6003 0.6531 0.1403 0.7477 0.7154 0.2917 0.3426 0.8266 0.4841 0.7875 0.7652 0.4870 0.6119 0.0627 0.8246 0.4174 0.3507 0.8218 0.8408 0.8487 0.3637 0.4775 0.3321 0.3558 0.7445 0.8163 0.4296 0.4520 0.6053 0.3641 0.5612 0.7362 0.4671 0.0537 0.8469 0.8317 0.1678 0.1743 0.7883 0.4792 0.6117 0.5802 0.8551 0.7833 0.6422 0.6704 0.8539 0.4103 0.2727 0.1367 0.3142 0.7427 0.5246 0.8568 0.8424 0.7750 0.5150 0.5813 0.7233 0.8547 0.7959 0.8556 0.8531 0.7460 0.8558 0.7909 0.7671 0.8140 0.8254 0.8433 0.7763 0.3791 0.5083 0.5870 0.3816 0.5975 0.8330 0.4567 0.5335 0.4963 0.6967 0.7745 0.7242 0.5456 0.4370 0.0621 0.0496 0.3516 0.2090 0.8465 0.1065 0.7463 0.8569 0.7938 0.8562 0.6906 0.5660 0.8539 0.6955 0.7947 0.5657 0.3083 0.2979 0.3713 0.8313 0.2626 0.3532 0.2989
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 8 6 6 6 6 6 6 8 6 6 1 6 6 6 8 7 6 6 6 6 6 8 8 6 8 6 6 7 6 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
12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 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
15958.4361 21051.8197 30764.1741
0.99918 -0.04050 -0.00280 0.04053 0.99909 0.01326 0.00226 -0.01336 0.99991
1
0.00543 0.00411 0.00282
0.11309 0.08573 0.05866
17.07 22.57 27.48 34.12 46.65 59.09 66.97 80.48 97.84 102.25 116.75 150.27 159.46 163.99 206.06 211.27 234.62 246.40 248.17 257.03 278.05 291.10 323.62 373.21 397.96 411.19 416.94 428.07 436.28 451.75 472.42 503.40 516.64 536.10 550.49 562.65 594.45 626.56 678.28 697.81 720.67 747.31 794.25 815.31 840.57 869.00 905.09 924.11 926.61 953.47 973.87 979.38 992.49 1017.78 1045.60 1078.40 1117.57 1155.45 1177.59 1193.47 1207.19 1217.79 1225.81 1226.64 1247.07 1257.42 1289.70 1293.58 1320.74 1333.93 1347.94 1348.08 1387.36 1400.48 1421.06 1426.43 1449.07 1458.84 1464.79 1480.69 1515.10 1521.69 1546.65 1570.74 1577.36 1583.90 1586.09 1622.59 1680.08 1686.66 1693.82 1710.22 1745.99 1758.22 1765.11 1797.67 1801.60 1831.06 1840.12 1849.44 1863.88 1872.87 1882.98 1896.42 1920.83 1926.63 1945.20 1968.09 1989.52 1991.42 2030.43 2036.79 2057.87 2064.76 2082.40 2090.67 2097.66 2144.00 2169.39 2190.91 2193.88 2220.29 2233.27 2254.10 2258.43 2281.64 2293.75 2316.00 2321.02 2339.35 2343.79 2345.79 2348.50 2357.08 2368.08 2374.99 2396.57 2416.80 2420.35 2455.05 2456.04 2474.94 2488.04 2532.99 2577.65 2596.90 2615.62 2661.99 2748.19 2833.22 4585.91 4605.74 4617.43 4618.98 4629.48 4636.79 4649.41 4697.98 4707.72 4732.50 4734.18 4753.24 4754.70 4768.89 4831.44 4850.50 4877.64 4885.67 4896.20 4924.14 4930.46 4951.73 4999.39 5001.00
0.505424
0.535588
0.536533
0.438980
-1648.433484
-1648.403319
-1648.402375
-1648.499927
3.271910D-04
MUNgauss
RevisionA2.1
retrievium
07-Jun-2021
DUDE CCOc1ccc(cc1OC)[C@@H]2C(=C(C(=O)N2Cc3ccco3)[O-])C(=O)c4c(nc5n4cccc5)C C35420181
RHF
6-31G(d)
(6D,10F)
C1
486.166511
|X|Y|Z|
84.479327 98.837480 43.546999
71.374560
27
|36.858105|
|12.562079|36.858105|
|8.105172|13.640831|73.516695|
|5.231908|8.008162|24.949128|36.858105|
|4.406441|6.719453|13.963271|13.818652|36.858105|
|3.337453|4.506454|9.196008|7.905094|13.671523|36.858105|
|2.966983|3.775890|8.140390|6.790976|7.904698|13.830278|36.858105|
|3.196367|3.985093|9.378830|7.925019|6.926823|8.010347|13.654649|36.858105|
|4.074996|5.240840|14.450093|13.586532|7.956192|6.880918|7.866646|13.825072|36.858105|
|4.114105|4.771987|13.032042|8.141268|5.288445|4.620802|5.168724|7.883406|14.050729|73.516695|
|3.213707|3.547782|8.503340|5.262782|4.006659|3.820884|4.533130|6.776211|8.046626|24.263764|36.858105|
|2.396746|2.906125|5.951020|4.392804|4.975669|7.483417|12.437475|7.518573|4.993072|6.841802|3.696277|36.858105|
|2.267680|2.685977|5.575824|3.999803|4.211017|5.631843|8.960954|7.388442|4.823557|6.948113|3.960529|17.545126|0.500000|
|2.198669|2.624159|5.213073|3.682486|4.180956|5.811793|7.401182|5.369994|4.015035|5.783409|3.179978|12.560384|0.244919|36.858105|
|2.034437|2.413800|4.626877|3.172511|3.722817|5.041707|5.475480|4.063284|3.275640|4.818422|2.611598|7.927067|0.166583|13.492140|36.858105|
|2.053266|2.448483|4.673078|3.212802|3.842342|5.303797|5.585589|4.042139|3.272625|4.781650|2.555150|8.083328|0.170128|8.093255|12.349071|36.858105|
|1.911115|2.251811|4.202891|2.806546|3.338323|4.310055|4.279247|3.298200|2.796200|4.182031|2.230339|5.429665|0.125833|5.418906|7.745810|15.882194|73.516695|
|2.233442|2.691753|5.301431|3.766546|4.447926|6.472265|7.730222|5.229944|3.976565|5.648421|3.006740|13.069070|0.253612|8.207201|8.161415|14.053010|14.880971|53.358707|
|2.227372|2.662313|5.218887|3.624205|4.177051|5.525632|6.136863|4.702831|3.781724|5.495179|2.900796|7.465971|0.186950|5.120977|5.111155|7.774549|11.918384|18.029562|36.858105|
|2.048446|2.380664|4.732424|3.193502|3.425827|4.198960|4.966307|4.336010|3.497944|5.334977|2.935221|6.042945|0.184055|4.327311|4.104756|5.394819|8.577986|10.557398|12.724964|36.858105|
|2.085708|2.389111|4.823374|3.195152|3.260916|3.770960|4.471206|4.318907|3.594435|5.679629|3.174594|4.884824|0.155892|3.603799|3.305253|3.989865|6.434531|7.267027|7.329629|14.186729|36.858105|
|1.822200|2.040827|4.072935|2.623075|2.643503|2.996121|3.506726|3.465777|2.950174|4.850157|2.809943|3.944572|0.128469|3.147889|2.921983|3.398582|5.609213|5.719458|5.131752|8.555468|13.220550|36.858105|
|1.700968|1.909973|3.761446|2.430138|2.507776|2.905096|3.379147|3.198967|2.690956|4.367054|2.521782|4.050785|0.130592|3.346463|3.198226|3.778667|6.318054|6.150331|5.326977|8.772703|8.610580|14.232668|36.858105|
|1.799371|2.055381|4.030931|2.657502|2.830987|3.409020|3.969105|3.531513|2.900906|4.552351|2.567709|5.061586|0.157487|4.052032|3.981341|5.083265|8.420009|8.591988|7.824414|14.146920|8.651642|8.634513|14.189177|73.516695|
|1.879274|2.197982|4.126331|2.745428|3.187787|4.042449|4.157709|3.292879|2.782001|4.201265|2.284520|5.290554|0.121767|7.881576|15.733119|7.958277|11.768450|7.486947|3.978161|3.322368|2.757023|2.504180|2.747225|5.891471|73.516695|
|2.170032|2.545511|5.104707|3.523686|3.774354|4.767577|5.982247|5.121674|3.955198|5.915604|3.364850|7.567364|0.188976|13.483163|7.402688|5.075541|6.925829|7.093376|3.820408|3.471145|3.081098|2.781947|2.901250|5.885477|10.602009|36.858105|
|2.307212|2.691236|5.569396|3.857229|3.887555|4.679272|6.188516|6.099830|4.615022|7.018418|4.145726|6.783359|0.188646|8.222264|5.202184|4.123369|5.832149|6.182759|3.563296|3.359172|3.117278|2.814705|2.844587|5.585165|7.700319|15.466278|73.516695|
|1.939669|2.226215|4.338168|2.865158|3.055976|3.639549|4.136265|3.698384|3.098634|4.839697|2.766724|4.871176|0.125827|7.505564|6.068419|4.143224|6.060831|5.352143|3.049879|2.808941|2.519711|2.343939|2.473158|4.923178|10.568675|12.755521|14.616941|36.858105|
|1.711479|1.937212|3.714574|2.403008|2.567923|3.012748|3.334848|2.994935|2.562417|4.077651|2.339660|3.990331|0.105470|5.723783|5.460342|3.843341|5.870143|4.756381|2.778733|2.596223|2.316607|2.204628|2.374082|4.702586|10.631520|7.210191|9.544378|13.948734|36.858105|
|1.613058|1.800450|3.414811|2.161291|2.282202|2.587031|2.787783|2.574928|2.278526|3.699824|2.125608|3.156102|0.084125|4.158883|4.036990|3.060037|4.846723|3.834302|2.328785|2.192244|1.994533|1.912029|2.035860|3.956591|7.982386|5.109999|7.610925|8.455771|13.981269|53.358707|
|1.726465|1.925077|3.660366|2.307045|2.410196|2.685804|2.877757|2.707048|2.430885|3.966242|2.275800|3.124946|0.082868|4.041438|3.742794|2.877392|4.522205|3.698195|2.260040|2.118362|1.952422|1.853037|1.938262|3.746515|7.115816|5.248630|8.257269|8.606761|8.962492|19.905337|36.858105|
|1.952076|2.211600|4.277944|2.755856|2.876817|3.255069|3.564345|3.343961|2.945344|4.718303|2.699730|3.833144|0.100272|5.140776|4.383825|3.276097|4.980118|4.307745|2.573321|2.387350|2.197236|2.051125|2.125662|4.143326|7.871593|7.624651|11.923799|13.689916|8.732766|11.715360|13.901237|53.358707|
|2.152744|2.432280|4.735303|3.017720|3.070531|3.340362|3.603386|3.523990|3.220361|5.224712|2.972749|3.596348|0.094218|4.444971|3.726896|2.944931|4.508875|3.996483|2.445460|2.268889|2.128662|1.969095|1.999425|3.859095|6.480949|6.248981|11.557495|7.591822|5.397815|7.405207|7.948126|18.995421|36.858105|
|2.038386|2.248767|4.294625|2.640748|2.654378|2.787395|2.921516|2.906498|2.763158|4.622901|2.630577|2.874411|0.076173|3.393069|2.995039|2.459251|3.870173|3.320357|2.091735|1.957210|1.856767|1.734030|1.754364|3.346023|5.334551|4.340060|8.023225|5.164409|4.262552|6.394792|6.885774|11.056072|14.143374|36.858105|
|1.778466|1.940654|3.651573|2.224627|2.260984|2.388374|2.487495|2.440474|2.309782|3.884918|2.219853|2.517604|0.067138|2.987422|2.746040|2.262471|3.623633|2.996050|1.901225|1.789911|1.692014|1.600497|1.635557|3.108612|5.051082|3.686889|6.505415|4.639407|4.264540|7.122956|7.961142|9.473700|7.922672|13.314733|36.858105|
|1.660352|1.822658|3.428861|2.112563|2.178706|2.354066|2.471914|2.376865|2.201187|3.662955|2.099406|2.590921|0.069141|3.165558|2.970669|2.397816|3.847662|3.115938|1.957315|1.844728|1.724792|1.642686|1.701183|3.248227|5.610851|3.904747|6.555358|5.350739|5.393962|10.496097|13.363174|10.789700|6.843601|7.897933|14.121024|36.858105|
|1.588423|1.792785|3.423200|2.209795|2.376069|2.812001|3.116174|2.765322|2.352069|3.748254|2.151863|3.899089|0.104919|5.351204|5.657032|4.140340|6.476525|4.949399|2.907158|2.752800|2.409908|2.334154|2.591512|5.180591|11.326201|5.657102|7.744908|7.373002|12.741617|10.499034|5.379285|7.096880|3.828550|3.195513|3.216515|3.894803|36.858105|
|17.571491|8.862398|12.990839|4.867183|4.022335|3.130940|2.849982|3.120345|3.978842|7.408974|3.270042|2.321239|0.061836|2.099176|1.939972|1.980857|3.288022|2.961998|2.209201|2.062261|2.134115|1.865867|1.722613|3.209891|3.172013|2.062332|3.912969|1.835909|1.629300|2.084156|1.627397|2.494558|2.001605|1.890178|1.660678|1.560591|1.525476|0.500000|
|17.574218|8.864155|12.983184|4.890086|4.027426|3.140495|2.864312|3.142497|4.015165|7.505403|3.348033|2.331856|0.061711|2.169159|1.988334|1.973474|3.246922|2.910524|2.102745|1.951648|1.987953|1.755062|1.643274|3.075938|3.278551|2.184293|4.178281|1.966747|1.728481|2.233526|1.773100|2.732875|2.248935|2.152780|1.863741|1.719813|1.589474|0.301185|0.500000|
|17.537031|8.854472|10.265750|4.238916|3.850610|3.005847|2.647245|2.771771|3.377264|5.949507|2.720690|2.188536|0.057287|2.034386|1.914177|1.935154|3.240529|2.821818|2.070477|1.896883|1.916440|1.686400|1.586348|2.987507|3.179172|1.999424|3.725399|1.812399|1.615450|2.084900|1.634498|2.488123|2.002467|1.914423|1.689685|1.580962|1.504858|0.300101|0.300080|0.500000|
|8.853939|17.519275|16.538784|7.067555|6.794530|4.598011|3.737658|3.796880|4.747228|7.465366|3.211790|2.907100|0.074173|2.588293|2.425597|2.524571|4.180372|3.782332|2.814880|2.484488|2.485525|2.101185|1.963832|3.778817|3.919337|2.448215|4.520255|2.137987|1.880200|2.365251|1.835048|2.847145|2.254045|2.074523|1.815194|1.726795|1.763962|0.212088|0.173468|0.212735|0.500000|
|8.848020|17.526080|16.548163|7.148360|6.825899|4.631689|3.772895|3.840252|4.814437|7.571149|3.288040|2.929645|0.073997|2.724244|2.523039|2.510217|4.097992|3.678544|2.605142|2.298756|2.263659|1.947399|1.849354|3.566762|4.126913|2.661298|4.946613|2.353823|2.038058|2.591331|2.052588|3.219093|2.627435|2.438505|2.090991|1.950804|1.865597|0.173398|0.212103|0.212432|0.301404|0.500000|
|4.701249|7.482244|12.525389|8.932041|17.749816|8.943684|5.652548|4.982695|5.644654|7.576632|3.338239|4.075129|0.096859|3.606970|3.382971|3.514242|5.637504|5.264684|3.703591|3.034633|2.876623|2.374108|2.272018|4.546134|5.326243|3.267656|5.842355|2.761026|2.370251|2.910354|2.253679|3.586600|2.804529|2.482333|2.144349|2.064249|2.204668|0.115586|0.115242|0.118631|0.229699|0.227146|0.500000|
|2.987546|3.917933|7.440396|5.648819|8.935423|17.722331|8.937213|5.667266|4.956788|6.516866|3.152956|6.913369|0.140830|5.904597|5.763422|6.344262|9.260859|9.540143|5.758801|4.116258|3.543843|2.859568|2.849111|6.080116|8.250660|4.570046|7.460819|3.628264|3.078548|3.583554|2.689733|4.354084|3.189624|2.682082|2.345344|2.345804|2.920314|0.077657|0.077818|0.076962|0.113976|0.114537|0.217671|0.500000|
|2.800791|3.327731|7.576386|5.639422|4.985850|5.702505|8.978589|17.785358|8.951491|12.607447|7.577130|7.081696|0.229404|5.220945|3.869844|3.788875|5.517429|6.617066|4.385688|4.370248|4.485294|3.730702|3.418308|6.518247|5.612771|5.252875|11.911353|3.774572|3.071589|3.578594|2.747924|4.606007|3.519130|2.896967|2.448606|2.400527|2.851964|0.076928|0.077611|0.068153|0.088057|0.089150|0.108131|0.124862|0.500000|
|3.177035|3.338162|7.746061|4.413669|3.422182|3.200371|3.625751|4.925825|5.889209|17.017243|17.615227|3.055437|0.090075|2.705556|2.280128|2.232264|3.522139|3.499009|2.507741|2.549439|2.767353|2.506342|2.254049|4.030958|3.610496|2.871327|6.135349|2.446657|2.105318|2.647982|2.087326|3.307806|2.689627|2.448943|2.087395|1.959716|1.941023|0.091163|0.093827|0.074761|0.083348|0.085426|0.082127|0.075380|0.147452|0.500000|
|2.878664|3.184417|7.380214|4.674788|3.746911|3.714362|4.549816|6.717697|6.939486|16.429014|17.540529|3.854174|0.119675|3.206722|2.637329|2.632789|4.085746|4.303206|3.119189|3.276660|3.675219|3.257286|2.845964|5.058041|4.064065|3.311556|7.135639|2.698611|2.313372|2.830817|2.187784|3.497367|2.744354|2.416090|2.077590|1.998781|2.170547|0.082515|0.081306|0.068840|0.082828|0.081662|0.086996|0.086051|0.229913|0.300176|0.500000|
|2.963062|3.297944|7.637506|4.868636|3.892388|3.843284|4.676633|6.857342|7.195584|16.449433|17.564587|3.912255|0.116809|3.486005|2.790266|2.646524|4.059714|4.188146|2.864977|2.874443|3.021666|2.711018|2.493296|4.551726|4.341667|3.870850|8.975939|3.158061|2.614435|3.229133|2.574777|4.241920|3.495614|3.040920|2.514400|2.362044|2.356687|0.081579|0.086709|0.070807|0.082602|0.088002|0.090110|0.088739|0.226447|0.299223|0.299568|0.500000|
|2.506039|3.055000|6.028860|4.264631|5.005031|6.515366|6.757418|5.217897|4.329438|6.131382|3.121770|6.696177|0.165284|4.585548|4.421784|6.051070|9.503328|12.440026|17.560753|9.079733|6.967641|4.668357|4.466228|10.237972|6.287484|3.574399|6.117908|2.855998|2.561129|2.973458|2.158899|3.366764|2.408811|2.073801|1.866451|1.894362|2.605030|0.069364|0.064796|0.064253|0.091427|0.081699|0.121634|0.180382|0.128029|0.074643|0.092795|0.083766|0.500000|
|2.072104|2.450304|4.668626|3.144252|3.657562|4.631893|4.749463|3.762035|3.177937|4.730851|2.498264|5.597068|0.139913|4.406354|4.789422|7.677431|14.256258|12.754931|17.621552|8.973128|5.788426|4.485388|4.865242|12.583716|6.963847|3.352036|5.463872|2.796287|2.616392|3.015905|2.129551|3.236857|2.244585|1.945193|1.791956|1.855546|2.787047|0.056991|0.054162|0.054252|0.072668|0.067084|0.094119|0.142271|0.097864|0.061171|0.073727|0.068652|0.301349|0.500000|
|2.296544|2.638264|5.408941|3.578535|3.556658|3.969683|4.636965|4.706917|4.052508|6.432742|3.520591|4.597949|0.142357|3.384213|3.064095|3.613329|5.823508|6.514015|6.363741|8.838678|17.793793|8.429162|5.857034|10.472098|4.577461|2.951927|5.426060|2.411236|2.188753|2.593315|1.890900|2.912807|2.111554|1.850756|1.672769|1.686032|2.229586|0.066043|0.060359|0.058068|0.076655|0.068172|0.086366|0.100494|0.132632|0.084908|0.114800|0.090130|0.194600|0.140749|0.500000|
|1.751871|1.932837|3.856284|2.434903|2.405660|2.654151|3.066221|3.133253|2.745979|4.652657|2.739512|3.331787|0.107459|2.741017|2.536359|2.863224|4.764632|4.672835|4.027633|5.832481|8.425149|17.791886|8.829892|10.454587|3.934116|2.495985|4.558982|2.136884|2.016178|2.413565|1.727421|2.586352|1.839235|1.636410|1.514165|1.546981|2.117538|0.050198|0.047042|0.045036|0.055033|0.050972|0.060399|0.069902|0.094562|0.069038|0.089037|0.072727|0.106022|0.100221|0.192365|0.500000|
|1.557000|1.731870|3.381166|2.157127|2.222580|2.547882|2.919782|2.777245|2.371590|3.898870|2.269873|3.492919|0.110822|3.043387|2.956267|3.394097|5.787426|5.222437|4.267977|6.034648|5.819042|8.616182|17.831700|16.513374|4.628605|2.693238|4.663817|2.358654|2.312214|2.717458|1.882039|2.768256|1.897915|1.677534|1.581107|1.655781|2.568308|0.043708|0.041982|0.040549|0.049260|0.046843|0.056521|0.070044|0.082633|0.057057|0.070386|0.062913|0.100888|0.113029|0.123094|0.195166|0.500000|
|2.410718|2.767985|5.522638|3.599351|3.605148|3.915073|4.307345|4.309563|3.919027|6.249177|3.527180|4.104618|0.106834|4.913167|3.904705|3.133195|4.718530|4.384226|2.672523|2.466693|2.326859|2.120549|2.127389|4.116783|6.487627|7.017118|14.621149|6.938458|4.762355|6.061073|5.728267|12.546019|17.831798|8.894818|5.593199|4.949023|3.576308|0.062066|0.070143|0.061418|0.070443|0.083025|0.089123|0.100362|0.118200|0.086757|0.088720|0.118050|0.074054|0.067030|0.064751|0.054874|0.055428|0.500000|
|2.156824|2.351289|4.481539|2.699887|2.660187|2.712007|2.808122|2.858949|2.804734|4.781353|2.706149|2.679272|0.071258|3.043751|2.689736|2.271795|3.598633|3.108522|1.991130|1.867477|1.791444|1.668226|1.670251|3.165982|4.731093|3.759319|7.182281|4.150773|3.474532|5.058067|4.960893|7.816357|9.094385|17.745355|8.725241|5.633726|2.734298|0.055225|0.064205|0.056164|0.059441|0.071130|0.069442|0.071610|0.078584|0.070960|0.067864|0.086759|0.055505|0.051383|0.050095|0.043979|0.044230|0.213311|0.500000|
|1.697784|1.827501|3.406826|2.041437|2.061189|2.143176|2.209221|2.185866|2.102954|3.583726|2.045371|2.214144|0.059322|2.561944|2.386675|2.013310|3.265059|2.673063|1.722811|1.629178|1.550585|1.472383|1.499279|2.830912|4.390702|3.058885|5.452605|3.676801|3.470346|5.688675|5.638301|6.801088|5.655731|8.775418|17.706337|9.037964|2.753085|0.044050|0.049635|0.045070|0.047440|0.054652|0.054832|0.058489|0.060813|0.054136|0.053113|0.063678|0.047200|0.045344|0.042731|0.038914|0.040369|0.123200|0.211198|0.500000|
|1.522909|1.658929|3.097188|1.892478|1.954024|2.103013|2.194672|2.108397|1.961911|3.284587|1.883355|2.313388|0.062064|2.783053|2.678474|2.201145|3.588125|2.840561|1.805015|1.710389|1.600709|1.536812|1.598163|3.037575|5.127260|3.303490|5.523368|4.367400|4.718367|9.387807|8.863524|7.712256|4.940242|5.590910|8.936930|17.749656|3.647461|0.039913|0.043691|0.040516|0.043919|0.049121|0.051842|0.058641|0.059222|0.049191|0.050170|0.058170|0.048387|0.047962|0.043342|0.040333|0.043523|0.107542|0.123070|0.213816|0.500000|
|1.559972|1.763835|3.325613|2.138904|2.336682|2.765640|2.971551|2.591532|2.232098|3.538418|2.000688|3.668570|0.095883|4.951411|5.866221|4.313876|7.003641|4.890874|2.885947|2.673285|2.315378|2.227602|2.481878|5.025941|13.373232|4.844792|6.686848|5.996181|8.947377|8.895569|4.747440|6.174379|3.459283|2.951439|2.995002|3.596353|17.607517|0.041520|0.043140|0.041320|0.048544|0.051202|0.061063|0.081767|0.072762|0.050331|0.055933|0.060130|0.071715|0.078687|0.059565|0.055979|0.068309|0.090125|0.070921|0.072204|0.095314|0.500000|
|1.470889|1.640747|3.126801|1.990984|2.109545|2.443277|2.698338|2.461304|2.125078|3.447816|2.000565|3.281136|0.090769|4.189270|4.303544|3.410204|5.492699|4.195950|2.560700|2.485321|2.215774|2.188570|2.429746|4.734278|8.378359|4.512531|6.658749|5.710660|9.008402|9.846712|4.969834|6.162429|3.433517|2.972005|3.075788|3.769317|17.552090|0.039391|0.041012|0.038788|0.044786|0.047225|0.054641|0.069761|0.071259|0.050657|0.056200|0.060747|0.064210|0.068540|0.056992|0.055839|0.068029|0.088189|0.071093|0.074245|0.101507|0.299836|0.500000|
|1.638806|1.859691|3.586397|2.342414|2.519041|3.039714|3.470857|3.046381|2.527709|3.996736|2.304754|4.606120|0.126730|6.334548|6.520334|4.828523|7.307851|5.843162|3.354758|3.216329|2.765536|2.685222|3.036429|6.166786|11.681068|6.245690|8.448201|6.881717|8.897202|7.739802|4.484954|6.404610|3.621943|2.982392|2.906450|3.371152|17.614924|0.043952|0.045351|0.042912|0.051050|0.053296|0.064132|0.087222|0.088377|0.057176|0.065471|0.069887|0.081555|0.088212|0.069910|0.066750|0.083387|0.097878|0.072224|0.069704|0.086753|0.302853|0.299598|0.500000|
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