Version2.1
2020-12-18T20:16:46Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
14-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1ccc(cc1)OS(=O)(=O)C2=C[C@H]3C[C@H]4CO[P@@](=O)(N[NH+]4C[C@@H]3C=C2O)c5ccccc5O C39467579
RHF
6-31G(d)
(6D,7F)
c1ccc(cc1)OS(=O)(=O)C2=C[C@H]3C[C@H]4CO[P@@](=O)(N[NH+]4C[C@@H]3C=C2O)c5ccccc5O
C01[X(C22H24N2O7P1S1)]
165
C1
551
OC1=C[C@H]2C[NH+]3N[P@](=O)(OC[C@@H]3C[C@@H]2C=C1S(=O)(=O)Oc1ccccc1)c1ccccc1O
OC1=C[C@H]2C[NH+]3N[P@](=O)(OC[C@@H]3C[C@@H]2C=C1S(=O)(=O)Oc1ccccc1)c1ccccc1O
Oc1ccccc1[P@]2(=O)N[NH+]3C[C@@H]4C=C(O)C(=C[C@H]4C[C@H]3CO2)[S](=O)(=O)Oc5ccccc5
InChIKey=AULOGCJGNQIGJD-XBFHTWARSA-O
InChI=1S/C22H23N2O7PS/c25-19-8-4-5-9-21(19)32(27)23-24-13-16-11-20(26)22(12-15(16)10-17(24)14-30-32)33(28,29)31-18-6-2-1-3-7-18/h1-9,11-12,15-17,25-26H,10,13-14H2,(H,23,27)/p+1/t15-,16+,17+,32-/m1/s1
InChI=1/C22H23N2O7PS/c25-19-8-4-5-9-21(19)32(27)23-24-13-16-11-20(26)22(12-15(16)10-17(24)14-30-32)33(28,29)31-18-6-2-1-3-7-18/h1-9,11-12,15-17,25-26H,10,13-14H2,(H,23,27)/p+1/t15-,16+,17+,32-/m1/s1/fC22H24N2O7PS/h23-24H/q+1
c1ccc(cc1)OS(=O)(=O)C2=C[C@H]3C[C@H]4CO[P@@](=O)(N[NH+]4C[C@@H]3C=C2O)c5ccccc5O
C01[X(C22H24N2O7P1S1)]
165
C01
551
OC1=C[C@H]2C[NH+]3N[P@](=O)(OC[C@@H]3C[C@@H]2C=C1S(=O)(=O)Oc1ccccc1)c1ccccc1O
OC1=C[C@H]2C[N@H]3N[P@](=O)(OC[C@@H]3C[C@@H]2C=C1S(=O)(=O)O[C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH][C]1O
O[C]1[CH][CH][CH][CH][C]1[P@]2(=O)N[NH]3C[C@@H]4C=C(O)C(=C[C@H]4C[C@H]3CO2)[S](=O)(=O)O[C]5[CH][CH][CH][CH][CH]5
InChIKey=SCSWQWDSMQSICV-XBFHTWARSA-N
InChI=1S/C22H24N2O7PS/c25-19-8-4-5-9-21(19)32(27)23-24-13-16-11-20(26)22(12-15(16)10-17(24)14-30-32)33(28,29)31-18-6-2-1-3-7-18/h1-9,11-12,15-17,24-26H,10,13-14H2,(H,23,27)/t15-,16+,17+,32-/m1/s1
InChI=1/C22H24N2O7PS/c25-19-8-4-5-9-21(19)32(27)23-24-13-16-11-20(26)22(12-15(16)10-17(24)14-30-32)33(28,29)31-18-6-2-1-3-7-18/h1-9,11-12,15-17,24-26H,10,13-14H2,(H,23,27)/t15-,16+,17+,32-/m1/s1/f/h23H
3822.4701836802
-2217.9385032
1-A
25273.1695
128
423
551
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10.72474
-14.5068 5.0940 6.8408
16.8283
|XX|YY|ZZ|XY|XZ|YZ|
-108.7086 -183.0504 -193.7143 17.3001 -9.1508 -18.1485
|XX|YY|ZZ|XY|XZ|YZ|
53.1158 -21.2259 -31.8899 17.3001 -9.1508 -18.1485
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-862.5444 1.8520 28.9780 -48.0512 175.6894 221.6520 6.6219 -9.6819 46.1771 13.1417
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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|
14.5232 22.6755 26.5336 36.9513 47.4030 51.8065 67.3626 79.6893 113.5568 121.6802 132.2157 142.5355 157.4439 181.5963 191.8249 210.9621 240.3164 244.5058 263.5435 272.0821 292.5877 302.8679 308.7388 330.5359 339.9710 348.5314 350.7340 378.8376 379.4341 383.6154 410.7970 440.8987 460.5281 465.5220 468.8245 474.5651 496.3411 507.9722 523.3010 534.4388 541.9927 544.8221 564.6735 585.3097 590.2334 600.6253 605.1616 649.2697 659.9055 666.8360 677.1302 707.1614 728.5995 766.9593 776.6981 781.3165 796.2368 809.9094 816.2975 831.0877 838.7325 859.1292 868.3053 878.9666 884.7304 901.4741 920.6653 931.6165 952.1699 969.6198 990.7729 998.8250 1026.6782 1052.1596 1076.2752 1084.2459 1094.4052 1104.7727 1105.7767 1107.3798 1126.8532 1131.7916 1132.9241 1137.5876 1139.5511 1153.0172 1162.1441 1172.1012 1176.7608 1181.8009 1200.5118 1211.4019 1219.8183 1231.3016 1232.9124 1236.7385 1250.5522 1273.2761 1283.3398 1292.9405 1298.6378 1301.8885 1314.0437 1322.9169 1338.6069 1345.0426 1359.5967 1380.5720 1382.8624 1395.4652 1419.2488 1425.1578 1429.1501 1434.3683 1464.8050 1466.4654 1466.5952 1476.5676 1490.8067 1509.3256 1531.0663 1540.1314 1549.6923 1565.6638 1581.6813 1582.6943 1603.3049 1617.2728 1622.7710 1632.8623 1647.4904 1658.4830 1662.8193 1665.8212 1681.5319 1777.6603 1797.4628 1799.6275 1800.2059 1830.3233 1882.9009 3138.6994 3166.4427 3217.7087 3261.0274 3269.4657 3274.9725 3285.1633 3344.2445 3349.0470 3356.4169 3369.9518 3370.3501 3382.4832 3390.7912 3394.8108 3403.9472 3404.5024 3407.2518 3419.7393 3424.4407 3613.4986 3764.6741 4093.3954 4093.6163
6.0636 6.0525 5.4177 4.9556 6.0594 4.8054 5.9524 6.1070 5.3830 6.4399 5.9113 6.8658 6.2075 4.9724 5.9573 5.4663 5.2845 3.5673 4.4569 4.6839 5.8425 3.9067 7.0039 2.7395 4.5603 2.6022 1.5498 2.2268 2.0141 5.2110 6.4425 3.0277 3.6613 3.1143 5.4029 3.2646 4.5028 4.3251 3.2999 3.9988 4.1988 4.7384 6.0382 3.6102 7.1751 4.8113 6.7145 4.8445 5.7267 5.7320 6.5403 7.8901 4.3085 2.3122 3.7080 4.4500 2.8037 2.6155 3.3940 3.0691 3.4205 1.3296 3.0024 2.4889 2.3572 2.6077 5.8768 2.0836 1.2421 1.4290 7.8334 1.5911 1.4192 1.4617 2.2623 2.4164 5.1908 2.3315 1.7034 1.4230 2.1430 1.3309 3.1181 3.9002 1.3571 3.9896 2.3798 4.9234 1.6775 2.7418 2.0747 3.6938 2.2896 2.4449 2.8954 2.1491 2.2392 3.0757 1.5224 2.4252 1.3704 1.1925 1.7432 3.6745 1.5383 1.7210 1.2722 10.3087 1.5899 1.4001 1.1990 2.1691 1.2702 1.3028 1.3126 1.3560 1.5838 1.3599 1.2676 14.0170 1.5647 1.5262 1.4958 1.3016 1.5786 2.2648 1.1993 2.3673 2.1552 1.0983 1.0908 1.0909 2.2701 2.1966 1.1949 5.3331 5.6838 5.4119 5.4533 8.5634 7.9118 1.0831 1.0842 1.0653 1.0895 1.0699 1.0940 1.0612 1.1085 1.1108 1.0928 1.0880 1.0914 1.0921 1.0925 1.0957 1.0969 1.0944 1.0937 1.0965 1.0959 1.0797 1.0769 1.0669 1.0670
0.0008 0.0018 0.0022 0.0040 0.0080 0.0076 0.0159 0.0228 0.0409 0.0562 0.0609 0.0822 0.0907 0.0966 0.1292 0.1433 0.1798 0.1257 0.1824 0.2043 0.2947 0.2111 0.3933 0.1763 0.3105 0.1862 0.1123 0.1883 0.1708 0.4518 0.6406 0.3468 0.4575 0.3976 0.6997 0.4332 0.6536 0.6576 0.5324 0.6729 0.7267 0.8287 1.1344 0.7287 1.4727 1.0226 1.4488 1.2032 1.4693 1.5017 1.7668 2.3247 1.3476 0.8014 1.3179 1.6005 1.0473 1.0108 1.3325 1.2490 1.4177 0.5782 1.3337 1.1329 1.0871 1.2486 2.9349 1.0654 0.6635 0.7916 4.5306 0.9353 0.8814 0.9534 1.5440 1.6737 3.6630 1.6766 1.2272 1.0282 1.6032 1.0045 2.3580 2.9738 1.0383 3.1250 1.8937 3.9852 1.3686 2.2562 1.7617 3.1937 2.0073 2.1840 2.5932 1.9367 2.0632 2.9379 1.4773 2.3886 1.3617 1.1908 1.7735 3.7889 1.6241 1.8344 1.3856 11.5764 1.7913 1.6063 1.4230 2.5957 1.5285 1.5792 1.6594 1.7181 2.0071 1.7469 1.6599 18.8136 2.1611 2.1329 2.1165 1.8798 2.3268 3.3425 1.8164 3.6482 3.3439 1.7253 1.7444 1.7679 3.6981 3.5914 1.9907 9.9295 10.8196 10.3269 10.4125 16.9025 16.5265 6.2865 6.4046 6.4983 6.8264 6.7386 6.9131 6.7480 7.3044 7.3403 7.2534 7.2801 7.3043 7.3616 7.4005 7.4403 7.4880 7.4734 7.4811 7.5552 7.5715 8.3063 8.9922 10.5324 10.5347
0.1032 0.1043 1.0563 0.3152 0.3560 0.9509 4.8996 2.0720 5.3712 5.4743 2.2916 4.4365 1.9339 1.5469 3.1426 0.1335 1.6736 5.1515 25.6777 0.5881 2.2172 3.9701 8.7007 38.3553 16.8013 19.7286 96.2022 22.4079 49.6606 11.7130 10.2746 18.6456 21.6820 0.1299 0.7061 8.7481 9.1853 5.6709 36.3907 11.1348 17.1601 29.8051 26.1877 4.9060 60.2916 26.4579 31.2335 72.0956 133.6987 2.3104 6.0089 90.3105 57.7529 30.2671 44.5954 68.8643 33.8394 5.5510 2.5998 97.9154 44.9102 88.6735 57.5156 97.0875 71.8220 107.5325 122.1589 6.2494 0.7643 10.2823 344.7909 7.3738 12.3523 37.8954 17.6598 25.6361 1.2587 89.1752 49.3968 5.5277 17.6551 2.5808 5.7092 58.1103 0.8828 10.7271 31.7899 165.0943 2.4785 106.2185 34.5371 4.5904 3.2527 38.4532 48.7365 32.4584 57.4734 104.7265 78.2493 170.7882 145.1897 47.4972 68.0306 95.6558 3.4632 26.4442 3.5792 176.1368 41.7184 24.6260 57.4380 1.9553 1.4444 26.0461 7.5162 16.7719 193.8471 72.8024 9.0964 268.7988 4.9670 11.1961 18.0285 71.0004 51.3515 9.1138 32.1612 122.2473 4.9705 2.3392 18.3376 0.9135 34.9005 93.1591 17.6165 48.8515 15.1000 193.5182 24.9430 34.8447 229.0573 15.7698 15.5118 7.5042 0.9182 3.6983 13.0675 13.6388 1.8941 3.7596 8.9500 0.7113 4.0320 11.6258 3.5588 21.1512 3.8481 3.9977 5.4522 2.7664 0.0567 90.2095 30.8648 45.1933 265.4379
2.3253 2.2063 3.9767 4.1177 1.6987 5.0656 2.9142 0.7720 1.8716 0.7404 3.4753 0.9736 4.4685 0.7922 0.2023 0.4811 1.7914 1.9346 2.0919 3.0350 1.4027 1.1737 1.4130 2.2707 3.2192 0.9998 2.3504 1.1157 3.7499 2.5273 2.1005 0.4408 1.5108 0.1023 0.5912 0.4626 1.0392 0.7009 1.7629 2.9466 0.6966 0.9183 1.1559 1.4514 2.7790 6.1503 5.2452 0.9047 3.0847 2.8256 2.5322 4.8200 1.2932 0.7388 17.2893 4.8000 1.2415 15.4380 2.1982 5.5659 1.7856 1.0962 2.3384 4.6950 4.6235 1.9652 12.9308 4.4410 2.1781 1.5343 6.1649 0.8355 2.0656 2.6226 6.3771 4.5112 28.6695 1.2581 0.5713 1.6873 6.5437 0.1370 28.5966 3.3502 0.0500 5.8811 5.6137 0.0832 0.2634 1.6638 14.6816 2.4907 4.2776 7.5466 19.0945 2.1702 11.5665 2.4795 8.6422 2.8914 11.0583 2.8235 8.4915 23.0871 1.4999 0.9091 0.7477 18.8897 6.2289 2.6818 8.1150 9.1749 8.8070 3.4090 3.2202 0.6722 1.6168 1.4957 1.3407 3.7093 2.0962 2.6530 1.1859 1.9991 8.6880 5.3541 15.2517 0.9181 0.9617 1.6107 4.0173 12.5926 2.8446 0.5350 4.7502 11.3061 10.7861 47.2902 20.6101 69.2304 18.4989 78.4698 21.1930 48.7884 31.2822 30.9720 69.7946 53.0706 36.1623 56.6420 89.7863 47.8882 77.5281 96.4875 107.6347 94.2173 136.4465 138.7391 35.4831 118.2154 85.7349 16.3009 27.1857 36.6254 144.4830
0.7251 0.7344 0.7358 0.7458 0.7083 0.7470 0.6681 0.7406 0.7500 0.5270 0.7299 0.4730 0.4835 0.3019 0.3843 0.6943 0.2582 0.7348 0.7500 0.5991 0.7488 0.7454 0.7297 0.4922 0.1383 0.7339 0.5377 0.5054 0.7292 0.5297 0.5032 0.7036 0.6009 0.5292 0.4218 0.6623 0.7195 0.3020 0.2099 0.3728 0.7411 0.4740 0.6848 0.1779 0.6340 0.1894 0.7175 0.6907 0.3545 0.5499 0.6939 0.2077 0.1253 0.6866 0.1037 0.3644 0.4356 0.0727 0.5597 0.2604 0.5188 0.7202 0.5054 0.0233 0.7459 0.7234 0.1358 0.5374 0.7443 0.7488 0.6857 0.7076 0.7155 0.7500 0.6820 0.5820 0.0853 0.7404 0.7491 0.1626 0.1118 0.7257 0.1144 0.6826 0.5443 0.5282 0.4802 0.5145 0.6520 0.5069 0.5864 0.4619 0.7003 0.6979 0.1480 0.7499 0.2131 0.7007 0.4710 0.5428 0.7167 0.1852 0.5521 0.1172 0.7423 0.3062 0.6167 0.1506 0.6899 0.7287 0.6608 0.1525 0.7292 0.4670 0.6049 0.6835 0.3995 0.6512 0.7460 0.6192 0.7430 0.3804 0.5360 0.3822 0.5195 0.3119 0.6563 0.3714 0.7359 0.6879 0.7076 0.7482 0.5591 0.6143 0.6333 0.4251 0.7178 0.5741 0.7124 0.1101 0.5837 0.2084 0.2245 0.0789 0.7159 0.1914 0.1079 0.0714 0.5639 0.5654 0.2845 0.7279 0.4520 0.7471 0.4838 0.1985 0.1261 0.2633 0.2376 0.1208 0.1791 0.1392 0.2398 0.6309 0.2153
0.8406 0.8469 0.8478 0.8544 0.8292 0.8552 0.8010 0.8510 0.8571 0.6902 0.8439 0.6422 0.6518 0.4637 0.5553 0.8196 0.4105 0.8471 0.8571 0.7493 0.8564 0.8542 0.8437 0.6597 0.2430 0.8465 0.6994 0.6714 0.8434 0.6925 0.6695 0.8260 0.7507 0.6921 0.5933 0.7969 0.8369 0.4639 0.3470 0.5431 0.8513 0.6432 0.8129 0.3021 0.7760 0.3184 0.8355 0.8171 0.5234 0.7096 0.8193 0.3439 0.2227 0.8142 0.1880 0.5342 0.6068 0.1356 0.7177 0.4132 0.6832 0.8374 0.6715 0.0455 0.8544 0.8395 0.2392 0.6991 0.8534 0.8564 0.8136 0.8287 0.8341 0.8571 0.8110 0.7358 0.1572 0.8508 0.8566 0.2797 0.2012 0.8411 0.2054 0.8114 0.7049 0.6912 0.6489 0.6794 0.7893 0.6728 0.7393 0.6319 0.8237 0.8221 0.2578 0.8571 0.3514 0.8240 0.6404 0.7036 0.8350 0.3125 0.7114 0.2099 0.8521 0.4689 0.7629 0.2617 0.8165 0.8430 0.7957 0.2646 0.8434 0.6367 0.7538 0.8120 0.5709 0.7888 0.8545 0.7648 0.8526 0.5512 0.6979 0.5531 0.6837 0.4755 0.7925 0.5417 0.8479 0.8151 0.8287 0.8560 0.7172 0.7611 0.7755 0.5966 0.8357 0.7295 0.8321 0.1983 0.7371 0.3449 0.3667 0.1463 0.8344 0.3213 0.1948 0.1332 0.7211 0.7224 0.4430 0.8425 0.6226 0.8552 0.6521 0.3313 0.2240 0.4168 0.3840 0.2155 0.3038 0.2443 0.3868 0.7737 0.3543
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
6 6 6 6 6 6 8 16 8 8 6 6 6 1 6 6 1 6 8 15 8 7 7 1 6 6 1 6 6 8 6 6 6 6 6 6 8 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 12.00000 12.00000 12.00000 15.99491 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 15.99491 30.97376 15.99491 14.00307 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783
5640.9583 43736.4226 45266.5047
0.99999 0.00363 -0.00037 -0.00364 0.99947 -0.03247 0.00025 0.03247 0.99947
1
0.01535 0.00198 0.00191
0.31994 0.04126 0.03987
20.90 32.62 38.18 53.16 68.20 74.54 96.92 114.66 163.38 175.07 190.23 205.08 226.53 261.28 275.99 303.53 345.76 351.79 379.18 391.47 420.97 435.76 444.21 475.57 489.14 501.46 504.63 545.06 545.92 551.94 591.05 634.35 662.60 669.78 674.53 682.79 714.12 730.86 752.91 768.94 779.81 783.88 812.44 842.13 849.21 864.17 870.69 934.15 949.46 959.43 974.24 1017.45 1048.29 1103.48 1117.50 1124.14 1145.61 1165.28 1174.47 1195.75 1206.75 1236.10 1249.30 1264.64 1272.93 1297.02 1324.63 1340.39 1369.96 1395.07 1425.50 1437.09 1477.16 1513.82 1548.52 1559.99 1574.61 1589.52 1590.97 1593.27 1621.29 1628.40 1630.03 1636.73 1639.56 1658.93 1672.07 1686.39 1693.10 1700.35 1727.27 1742.94 1755.05 1771.57 1773.89 1779.39 1799.27 1831.96 1846.44 1860.25 1868.45 1873.13 1890.62 1903.38 1925.96 1935.22 1956.16 1986.34 1989.63 2007.76 2041.98 2050.48 2056.23 2063.74 2107.53 2109.92 2110.10 2124.45 2144.94 2171.58 2202.86 2215.91 2229.66 2252.64 2275.69 2277.14 2306.80 2326.89 2334.81 2349.32 2370.37 2386.19 2392.43 2396.75 2419.35 2557.66 2586.15 2589.26 2590.09 2633.43 2709.07 4515.89 4555.80 4629.57 4691.89 4704.03 4711.95 4726.62 4811.62 4818.53 4829.14 4848.61 4849.18 4866.64 4878.59 4884.38 4897.52 4898.32 4902.28 4920.24 4927.01 5199.02 5416.53 5889.48 5889.80
0.486076
0.512728
0.513672
0.426852
-2217.452427
-2217.425775
-2217.424831
-2217.511651
2.911957D-04
MUNgauss
RevisionA2.0
retrievium
18-Dec-2020
DUDE c1ccc(cc1)OS(=O)(=O)C2=C[C@H]3C[C@H]4CO[P@@](=O)(N[NH+]4C[C@@H]3C=C2O)c5ccccc5O C39467579
RHF
6-31G(d)
(6D,10F)
C1
491.104187
|X|Y|Z|
45.801393 35.841498 147.954746
62.392336
28
|36.858105|
|13.748057|36.858105|
|7.931398|13.746932|36.858105|
|6.940139|8.005158|13.804394|36.858105|
|7.915813|6.845326|7.881398|13.800844|36.858105|
|13.739297|7.934200|6.864403|8.020621|13.751141|36.858105|
|4.601432|5.234191|8.033722|13.638749|7.907019|5.203434|73.516695|
|3.660358|3.983937|5.350900|7.302630|5.753856|4.144611|21.525551|388.023441|
|3.723682|3.774272|4.659006|6.457256|6.227285|4.475074|13.841186|95.181506|73.516695|
|2.962765|3.211755|4.125583|5.129170|4.280052|3.284157|14.188980|95.771121|13.700585|73.516695|
|3.483735|3.990537|5.254698|5.815253|4.509963|3.638762|12.772754|76.299117|13.176168|13.057889|36.858105|
|3.370013|3.721523|4.504043|4.851733|4.135809|3.510507|9.303330|50.707002|12.032071|9.322005|14.389847|36.858105|
|2.924886|3.258008|3.731325|3.715582|3.237905|2.918351|6.856917|33.127842|7.845165|6.923896|7.776180|12.634935|36.858105|
|3.173304|3.621970|4.058120|3.820374|3.296819|3.055473|6.717705|30.024104|7.069109|6.214167|6.649930|9.057000|17.455151|0.500000|
|2.564399|2.738871|2.994544|3.032364|2.796618|2.587979|5.491263|26.252849|6.720167|5.684450|5.093179|7.500371|12.455154|0.246845|36.858105|
|2.246473|2.409717|2.573768|2.531999|2.341428|2.218472|4.548155|20.758745|5.186362|4.670886|3.846295|4.901410|7.538571|0.191868|12.456417|36.858105|
|2.339920|2.530640|2.656671|2.548573|2.349963|2.264402|4.480685|19.809041|4.913990|4.412625|3.656915|4.544370|6.836536|0.205632|8.809102|17.579381|0.500000|
|1.986365|2.080325|2.183470|2.176372|2.066987|1.980661|3.892923|17.650836|4.529606|4.038118|3.053402|3.754232|4.891631|0.126119|7.513447|12.402739|0.245618|36.858105|
|1.779675|1.869199|1.945066|1.916218|1.818112|1.757289|3.425283|15.208290|3.843396|3.541446|2.582950|3.028101|3.829981|0.102823|5.019489|7.766725|0.193439|13.426669|73.516695|
|1.662260|1.763972|1.858854|1.829979|1.715854|1.641864|3.328358|14.810193|3.660868|3.529032|2.520703|2.860445|3.600554|0.095009|4.351158|6.294004|0.153663|7.509286|21.139624|332.344906|
|1.618192|1.709978|1.823378|1.825050|1.713943|1.620014|3.373542|15.304780|3.790998|3.706117|2.575997|2.906955|3.553007|0.089655|4.302078|5.534847|0.126079|6.491934|13.312568|81.742108|73.516695|
|1.841972|1.996634|2.127358|2.060144|1.889886|1.798430|3.759243|16.658398|4.011142|3.945782|2.961054|3.340386|4.488865|0.120944|5.027178|7.747126|0.200386|6.507255|13.396361|68.806641|13.354277|53.358707|
|2.062749|2.245925|2.437943|2.386422|2.168188|2.032117|4.398924|20.063810|4.819698|4.685252|3.743100|4.410922|6.556943|0.163288|7.619895|12.537496|0.255706|7.576488|11.833075|46.674433|12.031006|18.121447|53.358707|
|1.951414|2.105414|2.300759|2.294709|2.098231|1.948846|4.297966|19.992513|4.825979|4.765734|3.643310|4.241754|5.833988|0.136942|6.952481|9.150053|0.181572|7.082588|10.954617|46.843682|15.058762|13.387566|25.549169|0.500000|
|2.230995|2.497728|2.777731|2.671192|2.350264|2.176183|4.997855|22.617027|5.179967|5.297906|4.476759|4.983181|7.629024|0.196053|6.481644|7.529330|0.193632|4.915704|7.878318|30.448344|8.221801|10.802474|17.265687|0.258202|36.858105|
|2.520317|2.840089|3.290610|3.248955|2.791616|2.503859|6.285666|30.137482|6.677720|6.914790|6.804364|7.681366|12.436150|0.247342|7.590220|6.454054|0.158950|4.382851|6.562919|23.820671|6.876435|6.936178|10.478314|0.197715|12.516156|36.858105|
|2.317347|2.556101|2.954286|3.016365|2.643859|2.349566|5.976545|29.895947|6.729795|7.180136|6.215427|6.905915|8.894701|0.174472|7.047993|5.857373|0.135265|4.328445|6.442263|23.957318|7.396555|6.530074|9.697443|0.216446|8.960011|17.427886|0.500000|
|2.673800|3.119703|3.774625|3.643031|2.981291|2.629439|7.319228|33.671491|6.808713|7.940831|7.827386|6.713618|7.632271|0.192555|4.952416|4.362557|0.116481|3.273457|5.145003|18.785940|5.385617|5.282037|6.775375|0.130235|7.585781|12.614277|0.247935|36.858105|
|3.088675|3.668197|4.767284|4.730748|3.647714|3.084024|10.205512|47.717864|8.574782|10.750545|12.840121|7.813251|6.750013|0.173185|4.441178|3.697074|0.099485|2.895071|4.507744|16.004842|4.615693|4.256919|5.292388|0.103778|5.124741|7.782865|0.182848|14.348070|36.858105|
|3.145778|3.821780|5.159257|5.013888|3.720467|3.118600|11.408707|44.948860|7.777485|11.028228|8.057872|5.347978|4.635722|0.126270|3.402504|2.954222|0.080949|2.412200|3.848104|13.714089|3.942931|3.571354|4.218653|0.083223|3.918476|5.117776|0.127971|8.028056|14.285073|73.516695|
|1.489233|1.575555|1.638170|1.598869|1.507695|1.459720|2.884388|12.548461|3.095425|3.009082|2.081875|2.299957|2.780396|0.075949|3.172345|4.189528|0.113327|4.778757|12.710095|67.469537|11.865791|9.135152|6.368474|0.125969|3.638147|2.923243|0.080320|2.461480|2.137451|3.354334|36.858105|
|1.448408|1.519558|1.559958|1.519818|1.447267|1.416013|2.710674|11.682213|2.912151|2.780924|1.912149|2.118322|2.517437|0.069847|2.887414|3.718668|0.104080|4.397198|11.620506|43.155816|8.646027|6.706404|5.178029|0.100799|3.060327|2.552081|0.069485|2.183967|1.937039|3.068501|13.596236|36.858105|
|1.328385|1.390370|1.419726|1.380206|1.318329|1.295751|2.457458|10.485410|2.608499|2.510416|1.691557|1.845820|2.146563|0.059938|2.395424|2.947853|0.083356|3.341746|7.903300|29.476787|6.624323|5.144091|4.128595|0.081030|2.571266|2.184739|0.059500|1.921295|1.721805|2.769134|7.898485|13.838841|36.858105|
|1.258065|1.322149|1.356147|1.317654|1.253253|1.227235|2.360937|10.050686|2.479304|2.429884|1.615438|1.738581|2.007266|0.055849|2.190795|2.647099|0.074253|2.891400|6.534788|26.291394|6.212047|4.816443|3.849982|0.076489|2.464230|2.088588|0.057163|1.863852|1.664586|2.697416|6.887334|7.982756|13.698929|36.858105|
|1.282387|1.356129|1.403841|1.365431|1.289447|1.253188|2.467789|10.561476|2.583532|2.571598|1.709333|1.829648|2.126246|0.058646|2.299688|2.790487|0.077112|2.979874|6.678312|29.536161|7.089340|5.482271|4.249647|0.085461|2.725787|2.269650|0.062522|2.021232|1.781736|2.878355|7.899977|6.851705|7.882009|13.788272|36.858105|
|1.390106|1.476023|1.539954|1.501164|1.410190|1.361755|2.726526|11.797235|2.879783|2.867122|1.939729|2.096023|2.487619|0.067894|2.727344|3.421461|0.092731|3.661407|8.518823|43.456818|9.788883|7.530269|5.432855|0.109951|3.336250|2.693839|0.074537|2.336771|2.025510|3.221869|13.618383|7.876711|6.830704|7.964409|13.738781|36.858105|
|1.408849|1.505154|1.587866|1.551774|1.446244|1.384098|2.851179|12.414411|2.996645|3.050637|2.052790|2.193654|2.605433|0.070130|2.797110|3.446194|0.091359|3.521766|7.658693|41.015560|10.541213|8.036958|5.848180|0.122282|3.685170|2.934136|0.082341|2.551615|2.177445|3.455820|8.157104|5.265034|4.617967|5.240312|7.960187|14.241425|73.516695|
|17.726728|8.916006|5.644031|4.987518|5.639244|8.915823|6.494826|21.652410|5.557838|4.516014|2.955519|2.919388|2.619032|0.079251|2.353402|2.102381|0.061283|1.884319|3.029359|9.902276|2.725294|2.371124|2.620058|0.050492|2.057394|2.273465|0.058226|2.379645|2.674733|4.813436|1.434420|1.406409|1.296558|1.225800|1.242297|1.338559|2.396719|0.500000|
|8.908425|17.724045|8.930765|5.677448|4.938263|5.642691|7.524058|24.082343|5.652006|5.032998|3.542390|3.347200|3.077280|0.097027|2.604720|2.354706|0.069754|2.032261|3.288702|10.936239|2.984279|2.712867|3.008320|0.057051|2.467858|2.730545|0.067618|3.006041|3.418120|6.346126|1.579325|1.527757|1.403797|1.336685|1.368500|1.483370|2.681482|0.214778|0.500000|
|5.627507|8.846452|17.742045|8.961700|5.638198|4.950218|13.185125|37.007683|7.535877|7.488751|5.560229|4.538688|3.891562|0.118696|3.029844|2.643829|0.076021|2.209847|3.527273|12.017999|3.347364|3.049059|3.492876|0.066940|3.014310|3.578237|0.087658|4.347398|5.617920|11.605544|1.694756|1.600877|1.456908|1.399357|1.457801|1.603136|2.959942|0.123729|0.213187|0.500000|
|5.626441|4.941966|5.633449|8.938935|17.770749|8.863818|12.827490|41.996940|12.594186|8.013251|4.263585|3.940987|3.056448|0.084007|2.700973|2.249404|0.061799|2.013694|3.141793|10.447344|3.001053|2.475510|2.841700|0.056842|2.235784|2.662900|0.071674|2.803894|3.401385|6.113038|1.465842|1.406012|1.281315|1.219170|1.255190|1.372568|2.506290|0.123809|0.107349|0.124485|0.500000|
|8.909941|5.644343|4.948563|5.686600|8.945958|17.730086|7.471387|25.352811|7.088261|5.191268|3.127321|3.085448|2.610973|0.075133|2.386158|2.062170|0.058248|1.875779|2.968174|9.708968|2.730348|2.284052|2.560803|0.050394|1.982637|2.252350|0.059420|2.324962|2.669768|4.759709|1.388531|1.354947|1.244040|1.176435|1.196252|1.294540|2.329490|0.214934|0.124080|0.107497|0.214029|0.500000|
|3.464166|3.642327|4.257964|4.821216|4.422641|3.747616|8.885186|48.666861|14.337407|8.733404|9.148151|17.739740|8.475886|0.189349|6.970688|4.507096|0.115578|3.678961|5.205057|16.859268|4.898919|4.107147|5.266104|0.105094|4.068219|5.573256|0.149438|4.878384|5.565798|7.646932|2.185669|2.042715|1.784300|1.669571|1.740271|1.979196|3.639529|0.083546|0.089414|0.112914|0.120545|0.093116|0.500000|
|2.723525|2.845304|3.036261|3.088730|2.928921|2.759460|5.413842|25.349555|6.798819|5.358803|4.632564|6.793598|8.795489|0.213789|17.560897|8.955609|0.214742|6.912563|8.277119|23.823244|6.566299|5.670797|7.574971|0.142008|4.874645|5.506129|0.142464|4.094895|3.892747|5.516163|2.914227|2.748903|2.302604|2.082077|2.144610|2.493573|4.448866|0.069863|0.074720|0.083091|0.078463|0.071277|0.200286|0.500000|
|2.369519|2.498206|2.753734|2.865939|2.674163|2.440499|5.326299|26.354172|6.863902|5.871367|4.868502|6.848022|8.815851|0.173578|17.526567|8.839879|0.173215|6.984048|8.414171|26.702258|8.146184|6.282017|9.220117|0.200280|5.644526|6.828371|0.208801|4.584093|4.183685|5.771589|3.078726|2.775391|2.312741|2.131589|2.252115|2.675664|4.939240|0.060372|0.065454|0.077093|0.073390|0.063140|0.186874|0.303336|0.500000|
|2.049257|2.118880|2.189847|2.182907|2.103832|2.042475|3.837559|17.204239|4.501043|3.881888|2.917943|3.610281|4.504731|0.120407|6.757863|8.920287|0.218597|17.658875|16.805907|34.497742|8.585484|6.748230|7.568184|0.142848|4.096176|3.819853|0.103094|2.972833|2.709701|4.066426|4.076010|4.027234|3.152459|2.688531|2.693749|3.183809|5.344807|0.054391|0.057456|0.060750|0.056856|0.054102|0.101552|0.203128|0.168736|0.500000|
|1.904177|1.980972|2.097699|2.127000|2.031007|1.925992|3.857845|17.809948|4.612848|4.127453|3.024647|3.699009|4.590836|0.112829|6.990811|8.769755|0.173237|17.627737|16.527591|42.811325|12.926026|7.578078|9.047309|0.200271|4.501174|4.229651|0.123245|3.168287|2.833045|4.203102|4.374493|3.954047|3.083547|2.723251|2.837951|3.476712|6.090749|0.049983|0.053277|0.058794|0.055665|0.050903|0.102345|0.174938|0.214325|0.300833|0.500000|
|1.889403|2.057833|2.167721|2.067234|1.894588|1.822078|3.719265|16.174689|3.891283|3.791108|2.872728|3.227402|4.331581|0.123727|4.699792|7.165421|0.219262|5.886198|12.305135|50.788895|9.860867|25.834682|12.982734|0.190462|7.195012|4.704064|0.117258|3.741198|3.048038|4.598405|6.307008|5.008211|3.892558|3.593717|3.971739|5.189069|9.223669|0.049905|0.057685|0.063526|0.050207|0.047141|0.081047|0.112508|0.114735|0.133821|0.133331|0.500000|
|2.327793|2.639755|2.890933|2.698175|2.364824|2.224644|4.922435|21.462288|4.920744|4.941228|4.198462|4.621674|6.909315|0.210997|5.742718|6.872377|0.209078|4.560238|7.540447|27.866936|7.064087|9.865545|12.398422|0.181436|17.600154|8.774010|0.173746|6.794512|4.843089|6.820816|3.543545|3.060852|2.595242|2.474687|2.699295|3.239886|6.173618|0.059967|0.073774|0.087873|0.061579|0.056048|0.106034|0.129016|0.131861|0.110201|0.111148|0.216237|0.500000|
|2.027762|2.264780|2.517943|2.428817|2.142098|1.982082|4.602778|20.645222|4.680347|5.009075|3.895826|4.095036|5.502288|0.142384|4.875356|5.572107|0.144079|4.154143|7.059385|29.419169|8.207287|10.236501|12.511860|0.228511|17.645634|8.719978|0.212785|6.781282|4.622678|6.604876|3.649219|2.993786|2.554460|2.511429|2.849438|3.508687|7.241605|0.052160|0.062426|0.076394|0.056977|0.050406|0.095254|0.107506|0.126931|0.096744|0.109332|0.181909|0.300449|0.500000|
|2.434358|2.843945|3.368009|3.186350|2.638787|2.366400|6.327575|27.658293|5.684268|6.814412|5.559326|4.871945|5.539927|0.149038|4.051791|3.839348|0.104536|2.972910|4.847734|18.196348|5.177544|5.185362|6.231958|0.119777|7.053033|8.467995|0.188632|17.697941|9.092685|12.672957|2.445342|2.154541|1.914443|1.881980|2.060194|2.371515|4.667737|0.060949|0.077766|0.109205|0.068987|0.058546|0.106265|0.095203|0.105307|0.074793|0.079650|0.102911|0.183528|0.201057|0.500000|
|2.787655|3.352573|4.287890|4.076919|3.166825|2.732746|8.807760|34.724911|6.436974|9.034289|5.962632|4.411727|4.103045|0.112562|3.112522|2.799216|0.076933|2.302427|3.736637|13.541107|3.890501|3.551425|4.111478|0.081262|3.871417|4.788855|0.120778|7.641161|9.991970|35.682302|1.881835|1.712208|1.552905|1.525069|1.637244|1.828835|3.516523|0.067997|0.089526|0.149033|0.082046|0.066193|0.100781|0.078287|0.082848|0.060213|0.062635|0.071478|0.105618|0.105853|0.221403|0.500000|
|1.511889|1.577378|1.611278|1.572517|1.505966|1.479404|2.786064|12.023145|3.026828|2.835345|1.967748|2.209353|2.629268|0.073194|3.092606|4.016206|0.113357|5.030803|13.876061|41.133697|8.331450|6.440769|5.239083|0.100937|3.051456|2.589036|0.070206|2.195567|1.964421|3.097819|8.885811|17.759574|8.961488|5.666615|4.944275|5.621682|7.565571|0.040859|0.043957|0.045625|0.040630|0.039416|0.059771|0.083446|0.081891|0.133054|0.121872|0.135194|0.085161|0.080713|0.059357|0.047629|0.500000|
|1.293338|1.346113|1.364792|1.326525|1.274698|1.260397|2.348174|9.966272|2.492837|2.378869|1.593916|1.738780|1.999263|0.056135|2.228321|2.689868|0.076748|3.057376|6.977184|24.356234|5.662142|4.393313|3.663631|0.071764|2.315012|2.004529|0.054464|1.777553|1.611230|2.605589|5.625349|8.941640|17.752562|8.882797|5.624469|4.932771|6.515019|0.035243|0.037802|0.038717|0.034417|0.033750|0.047044|0.060454|0.059642|0.082598|0.078420|0.093254|0.065350|0.063290|0.049013|0.040471|0.215648|0.500000|
|1.183737|1.241009|1.268297|1.231654|1.174755|1.153837|2.203194|9.323778|2.300521|2.259666|1.484440|1.586446|1.808442|0.050468|1.953230|2.309761|0.065037|2.496041|5.445265|21.250396|5.212246|4.037923|3.329026|0.066293|2.178787|1.875835|0.051340|1.697840|1.529580|2.500873|4.960270|5.670182|8.913099|17.727770|8.977800|5.668385|7.511702|0.032143|0.034917|0.036310|0.031763|0.030801|0.042448|0.051940|0.052874|0.065439|0.065777|0.084086|0.061030|0.061762|0.047754|0.039339|0.124513|0.214503|0.500000|
|1.221173|1.292925|1.340597|1.303989|1.229847|1.193665|2.364933|10.085520|2.455262|2.473666|1.621027|1.715626|1.971223|0.054315|2.096824|2.486882|0.068604|2.601830|5.601432|24.419071|6.192123|4.779830|3.817598|0.077417|2.524154|2.124903|0.058743|1.924390|1.701383|2.773307|5.625628|4.940690|5.617837|8.905816|17.713959|8.915080|12.749190|0.032858|0.036274|0.038771|0.033288|0.031653|0.045247|0.054275|0.057320|0.065692|0.069657|0.095841|0.069311|0.074437|0.055000|0.044078|0.107372|0.123794|0.216083|0.500000|
|1.330297|1.420154|1.497390|1.463966|1.365648|1.307364|2.695532|11.674117|2.809922|2.891094|1.907205|2.012579|2.346526|0.063297|2.478422|2.958476|0.078964|3.001288|6.316862|31.008668|8.431396|6.317424|4.912069|0.103163|3.234832|2.645587|0.074506|2.359012|2.032069|3.267155|6.043670|4.407553|4.143542|4.963247|7.707162|9.972437|35.682269|0.035410|0.039579|0.043659|0.037035|0.034433|0.052283|0.062120|0.068708|0.072678|0.081943|0.117077|0.085236|0.100280|0.068086|0.052254|0.100662|0.093552|0.116361|0.227212|0.500000|
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