Version2.1
2020-12-28T08:41:02Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
12-Nov-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 C39467578
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-WEVXBQMQSA-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+/m0/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+/m0/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-WEVXBQMQSA-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+/m0/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+/m0/s1/f/h23H
3880.4329151003
-2217.9431981
1-A
21867.7962
128
423
551
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10.64855
9.7030 0.2088 -3.6034
10.3526
|XX|YY|ZZ|XY|XZ|YZ|
-149.3727 -158.2858 -175.1734 16.9470 16.6627 0.0602
|XX|YY|ZZ|XY|XZ|YZ|
11.5713 2.6581 -14.2294 16.9470 16.6627 0.0602
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
243.9110 7.0601 -73.1681 30.4181 392.1058 -158.6010 61.2164 -24.9993 14.2368 -65.3350
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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|
12.6004 21.8181 25.1552 31.2568 42.4100 56.0265 56.9957 80.0179 88.5494 106.8825 126.1229 139.2027 173.8550 186.4956 203.9248 225.8962 247.2854 250.4466 267.3093 270.3039 293.8393 300.9022 308.7377 327.8731 331.8925 349.1801 361.2255 375.8847 384.3106 390.6691 433.4974 444.8751 462.8925 463.8898 473.9633 500.7273 508.8887 511.8947 523.8409 531.2170 551.2260 554.1746 564.9257 580.8855 591.0499 594.8136 603.7022 621.3273 670.2488 676.5296 702.5901 735.5013 755.2927 765.0643 774.4777 785.6300 793.8935 814.3850 821.0058 829.2735 844.5334 859.0747 878.3904 880.6414 895.8572 907.8009 915.4517 921.7044 945.0317 969.2465 975.0711 983.8604 1022.5663 1037.2662 1047.7941 1068.6143 1095.0913 1100.5831 1103.1616 1105.6503 1118.3681 1124.7803 1132.9099 1132.9960 1134.9586 1139.1672 1152.8016 1157.9353 1174.2803 1176.3736 1181.7889 1204.9232 1211.3433 1220.4780 1230.9194 1241.4927 1250.3568 1264.2143 1270.8899 1288.5856 1302.1197 1305.4375 1314.4184 1339.1041 1344.9368 1359.1116 1360.1992 1379.6809 1382.4522 1401.6316 1422.4810 1425.2959 1437.1850 1442.6457 1461.5995 1463.5518 1466.8537 1483.3621 1490.9306 1503.4698 1515.8321 1525.1621 1546.8010 1564.9841 1578.8384 1587.2369 1601.0580 1617.1896 1623.3284 1632.2801 1640.6029 1658.2708 1663.0751 1664.1229 1681.9215 1778.0318 1797.6505 1799.8484 1800.9573 1831.6628 1884.5413 3208.2622 3218.1132 3227.5937 3263.4376 3274.1014 3284.4012 3286.2462 3348.4050 3355.1862 3366.3250 3369.7735 3373.8335 3385.5090 3390.5185 3396.6022 3396.9913 3404.4509 3407.8495 3414.9538 3419.9957 3624.1689 3764.0810 4090.1103 4094.5891
6.4395 6.2823 3.9212 6.0282 6.0799 7.6301 6.7739 5.5936 6.6924 6.4478 5.9134 6.4410 6.4776 5.9206 4.7785 4.3539 4.5796 5.2612 5.0836 5.2988 6.8763 3.7625 4.8007 3.3234 4.1592 1.4265 3.8810 4.5710 1.8677 2.0792 3.0112 2.5028 2.9844 4.8171 3.3683 4.8994 4.5681 5.0369 5.0859 4.6010 4.4049 3.9289 6.0784 5.0518 4.4018 6.5750 6.3201 5.3846 6.5850 6.6161 6.1021 4.9611 3.8540 2.3827 3.7870 3.0996 2.8416 3.1532 3.2418 3.8183 4.7726 1.3253 2.0187 4.4798 2.0874 2.9103 2.2391 4.2668 1.2451 1.4322 4.6281 2.4023 2.2468 1.5734 1.4544 1.8127 5.9471 3.1723 1.3589 1.3666 2.5618 2.1640 1.6146 2.2316 2.9904 1.3554 2.3055 3.1093 1.6796 3.6823 2.7377 3.8491 2.7718 2.2948 2.4446 1.9022 2.2327 2.7009 2.4996 1.5708 1.1881 1.4801 3.2596 1.5264 1.7191 1.3813 1.2458 10.0925 1.7412 1.8217 1.2853 1.8868 1.2658 1.3942 1.2837 1.3721 1.5943 1.4327 5.5382 1.6611 1.7130 1.3471 1.4176 1.2627 1.4704 2.2599 1.2157 2.3653 2.1473 1.0948 1.0935 1.0901 2.2682 2.1906 1.1923 5.3295 5.3123 5.4177 5.9381 7.9778 7.7022 1.0819 1.0749 1.0811 1.0918 1.0967 1.0611 1.0626 1.1107 1.1109 1.0929 1.0914 1.0881 1.0919 1.0925 1.0955 1.0931 1.0944 1.0970 1.0964 1.0964 1.0796 1.0769 1.0667 1.0670
0.0006 0.0018 0.0015 0.0035 0.0064 0.0141 0.0130 0.0211 0.0309 0.0434 0.0554 0.0735 0.1154 0.1213 0.1171 0.1309 0.1650 0.1944 0.2140 0.2281 0.3498 0.2007 0.2696 0.2105 0.2699 0.1025 0.2984 0.3805 0.1625 0.1870 0.3334 0.2918 0.3768 0.6108 0.4458 0.7238 0.6970 0.7776 0.8223 0.7650 0.7886 0.7109 1.1429 1.0043 0.9060 1.3706 1.3571 1.2247 1.7429 1.7841 1.7747 1.5812 1.2954 0.8217 1.3383 1.1272 1.0552 1.2321 1.2874 1.5471 2.0056 0.5763 0.9177 2.0469 0.9870 1.4131 1.1056 2.1357 0.6552 0.7927 2.5925 1.3701 1.3842 0.9974 0.9408 1.2196 4.2020 2.2639 0.9744 0.9843 1.8878 1.6130 1.2210 1.6878 2.2696 1.0363 1.8052 2.4563 1.3646 3.0023 2.2527 3.2925 2.3963 2.0140 2.1823 1.7274 2.0566 2.5434 2.3787 1.5367 1.1869 1.4861 3.3180 1.6127 1.8321 1.5033 1.3581 11.3189 1.9606 2.1086 1.5324 2.2583 1.5405 1.7096 1.6157 1.7316 2.0211 1.8574 7.2533 2.2123 2.3190 1.8462 1.9983 1.8221 2.1596 3.3545 1.8361 3.6447 3.3339 1.7186 1.7341 1.7662 3.6961 3.5743 1.9872 9.9269 10.1145 10.3405 11.3477 15.7697 16.1167 6.5610 6.5585 6.6354 6.8507 6.9264 6.7442 6.7613 7.3369 7.3678 7.2972 7.3017 7.2975 7.3737 7.3993 7.4467 7.4322 7.4735 7.5060 7.5336 7.5557 8.3549 8.9898 10.5136 10.5403
0.6378 1.0345 0.0507 2.0168 1.0979 2.2309 2.5899 1.8768 6.5693 1.5500 5.8945 1.6371 2.8702 0.2924 0.7820 4.9947 1.5749 22.4086 5.1577 7.0173 2.7811 4.8217 0.4497 35.4586 10.8984 98.0850 9.0412 2.0172 85.0436 8.9819 16.8716 37.8135 0.4949 26.8364 4.6015 7.5907 8.1862 5.9496 5.9031 61.6455 27.8336 32.7675 11.7388 53.6427 5.7414 38.7687 3.6465 30.3107 94.8582 1.6522 57.4083 72.6832 39.8737 26.2745 44.6258 39.3973 82.8962 0.2084 24.6395 45.7671 16.4962 87.3672 58.4010 132.6544 35.3924 53.8370 12.6918 167.4801 0.0755 15.1040 339.0178 161.4595 17.2539 18.4313 11.6194 19.5540 0.3016 70.7216 0.0408 4.0328 19.2988 23.2235 0.9461 0.6658 69.1566 0.8371 86.2378 28.4451 3.6786 154.8181 96.9556 25.1531 13.4096 4.6359 39.2967 41.4005 68.2328 96.6535 94.3613 43.3428 39.8776 84.2849 354.9433 2.8038 26.2269 9.0272 26.0579 172.5722 41.2070 21.1956 31.5203 4.3839 48.2436 22.6573 33.8485 5.7175 204.0257 35.6844 151.2550 72.2794 13.4671 47.1477 6.5749 61.1242 10.7898 25.9430 29.7866 118.8615 5.4473 4.7515 20.9557 1.4687 34.4242 114.6669 16.9760 47.3331 35.3474 190.3209 7.0613 43.5358 194.9436 8.6747 2.9731 25.4450 2.0870 8.3538 11.7961 7.9900 3.8191 1.5307 9.1157 4.2578 0.0078 9.4426 3.7204 22.7681 4.3539 4.0267 3.7730 1.5753 2.5995 95.1605 30.9968 123.2527 173.6591
2.7238 1.7864 7.8949 4.6898 1.7914 3.1505 0.2258 0.9848 1.5467 0.4208 2.5020 2.7552 0.1648 2.8502 1.6075 1.6752 2.5357 0.4357 3.6986 2.6887 1.5805 1.8131 0.3060 3.0566 0.9845 2.3159 2.5437 1.4587 1.1212 1.4893 0.6903 2.0062 0.1011 0.7405 3.2293 1.8998 2.8502 1.7568 3.2940 0.5128 3.6949 6.1609 0.7848 0.7846 1.9928 3.0503 6.5802 2.1487 3.0614 4.9745 1.1136 3.4415 0.8083 1.7043 20.7665 9.9760 3.0153 1.3435 12.2294 3.3650 1.4807 1.0990 5.9809 2.4741 0.5880 1.6957 9.4705 9.9867 2.0377 1.4425 4.5980 3.3216 1.4675 4.2925 3.1001 3.3182 31.7650 7.3849 0.2291 0.2334 2.9117 6.4182 6.7883 19.0040 6.9747 0.0389 0.6987 6.1375 0.1252 1.6354 1.6239 4.2899 21.6505 3.6913 7.5831 3.2643 8.8850 4.6894 9.2092 5.1588 2.7691 9.9171 15.6945 0.6505 0.9292 1.3674 9.0478 17.3752 1.9866 8.8077 7.9997 8.0147 11.7581 7.9750 3.1718 0.7009 1.3175 2.7854 2.9197 1.8686 1.5808 0.8890 0.3150 2.7472 5.7544 4.6906 14.4352 0.9399 1.1217 2.1363 6.0655 14.3078 2.6409 0.1403 5.1726 10.1203 24.5548 46.0952 9.6245 73.8503 15.7140 57.4857 22.3834 206.7628 51.6815 32.1078 90.2130 21.1401 57.9753 29.5320 104.3538 76.6780 47.5050 112.4059 103.4312 107.8595 33.7741 132.8577 103.8857 121.0964 112.6449 19.9444 23.5554 78.8746 92.1844
0.7339 0.7500 0.7499 0.7493 0.7443 0.7489 0.5630 0.6777 0.7315 0.5658 0.6465 0.7347 0.7182 0.3080 0.3972 0.5116 0.3505 0.4194 0.6467 0.5696 0.7443 0.6523 0.7290 0.3602 0.7110 0.7498 0.2973 0.2857 0.7433 0.6646 0.7337 0.6080 0.7151 0.7397 0.5242 0.5368 0.5107 0.1736 0.5299 0.6261 0.5817 0.0194 0.6208 0.1037 0.7337 0.3520 0.5459 0.7397 0.4269 0.7404 0.6513 0.0839 0.3983 0.7069 0.0711 0.2187 0.5193 0.3764 0.1499 0.1166 0.7459 0.7025 0.1055 0.1399 0.2477 0.6547 0.4544 0.0860 0.7476 0.7494 0.7497 0.6816 0.7407 0.6222 0.6120 0.4882 0.1158 0.3140 0.5690 0.4456 0.6839 0.1311 0.1300 0.0817 0.6106 0.6683 0.7321 0.6073 0.5884 0.7350 0.5120 0.6168 0.3353 0.7499 0.6834 0.7332 0.2267 0.7500 0.3251 0.6455 0.2592 0.6887 0.0679 0.7388 0.3269 0.6394 0.5635 0.1295 0.6255 0.3529 0.7259 0.0835 0.6957 0.6891 0.7039 0.7153 0.3012 0.7274 0.6804 0.7386 0.7341 0.6861 0.3017 0.4506 0.6238 0.4101 0.6142 0.3543 0.7339 0.7033 0.6027 0.7350 0.5817 0.6840 0.5605 0.4245 0.5952 0.6160 0.7421 0.0881 0.6975 0.6135 0.2947 0.1445 0.6810 0.2253 0.0714 0.0767 0.5951 0.5673 0.2904 0.4499 0.7395 0.7498 0.4817 0.2154 0.2256 0.2585 0.1206 0.1300 0.1223 0.1715 0.2405 0.2867 0.2783
0.8466 0.8571 0.8571 0.8567 0.8534 0.8564 0.7204 0.8079 0.8449 0.7227 0.7853 0.8471 0.8360 0.4710 0.5686 0.6769 0.5190 0.5909 0.7855 0.7258 0.8534 0.7896 0.8433 0.5297 0.8311 0.8570 0.4584 0.4445 0.8528 0.7985 0.8464 0.7562 0.8339 0.8504 0.6879 0.6986 0.6761 0.2959 0.6927 0.7701 0.7355 0.0381 0.7660 0.1879 0.8464 0.5207 0.7062 0.8504 0.5983 0.8508 0.7889 0.1549 0.5697 0.8283 0.1328 0.3589 0.6836 0.5469 0.2607 0.2089 0.8545 0.8253 0.1908 0.2455 0.3970 0.7913 0.6248 0.1583 0.8556 0.8568 0.8569 0.8107 0.8510 0.7671 0.7593 0.6561 0.2075 0.4779 0.7253 0.6165 0.8123 0.2318 0.2301 0.1510 0.7582 0.8012 0.8453 0.7557 0.7409 0.8472 0.6773 0.7630 0.5023 0.8571 0.8119 0.8461 0.3696 0.8571 0.4907 0.7846 0.4117 0.8157 0.1272 0.8498 0.4928 0.7800 0.7208 0.2293 0.7696 0.5217 0.8412 0.1541 0.8205 0.8159 0.8262 0.8340 0.4630 0.8422 0.8098 0.8496 0.8467 0.8138 0.4636 0.6212 0.7683 0.5817 0.7610 0.5233 0.8465 0.8258 0.7521 0.8473 0.7355 0.8124 0.7183 0.5960 0.7463 0.7624 0.8520 0.1619 0.8218 0.7605 0.4553 0.2525 0.8103 0.3677 0.1332 0.1425 0.7462 0.7240 0.4501 0.6206 0.8502 0.8570 0.6502 0.3545 0.3681 0.4108 0.2153 0.2300 0.2180 0.2928 0.3878 0.4457 0.4355
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
9164.8088 33866.1657 38195.3883
0.99999 -0.00155 0.00331 0.00155 1.00000 0.00113 -0.00331 -0.00112 0.99999
1
0.00945 0.00256 0.00227
0.19692 0.05329 0.04725
18.13 31.39 36.19 44.97 61.02 80.61 82.00 115.13 127.40 153.78 181.46 200.28 250.14 268.33 293.40 325.01 355.79 360.34 384.60 388.91 422.77 432.93 444.20 471.74 477.52 502.39 519.72 540.81 552.94 562.09 623.71 640.08 666.00 667.43 681.93 720.43 732.18 736.50 753.69 764.30 793.09 797.33 812.80 835.76 850.39 855.80 868.59 893.95 964.34 973.38 1010.87 1058.22 1086.70 1100.76 1114.30 1130.35 1142.24 1171.72 1181.24 1193.14 1215.10 1236.02 1263.81 1267.05 1288.94 1306.12 1317.13 1326.13 1359.69 1394.53 1402.91 1415.56 1471.24 1492.39 1507.54 1537.50 1575.59 1583.49 1587.20 1590.78 1609.08 1618.31 1630.00 1630.13 1632.95 1639.01 1658.62 1666.01 1689.53 1692.54 1700.33 1733.62 1742.85 1756.00 1771.02 1786.23 1798.98 1818.92 1828.53 1853.99 1873.46 1878.23 1891.15 1926.67 1935.06 1955.46 1957.02 1985.05 1989.04 2016.64 2046.63 2050.68 2067.79 2075.65 2102.92 2105.72 2110.48 2134.23 2145.12 2163.16 2180.94 2194.37 2225.50 2251.66 2271.60 2283.68 2303.57 2326.78 2335.61 2348.49 2360.46 2385.88 2392.79 2394.30 2419.91 2558.19 2586.42 2589.58 2591.18 2635.35 2711.43 4615.97 4630.15 4643.79 4695.36 4710.70 4725.52 4728.18 4817.61 4827.36 4843.39 4848.35 4854.19 4870.99 4878.20 4886.95 4887.51 4898.25 4903.14 4913.36 4920.61 5214.37 5415.67 5884.76 5891.20
0.486368
0.512975
0.513920
0.426508
-2217.456830
-2217.430223
-2217.429278
-2217.516690
2.931813D-04
MUNgauss
RevisionA2.0
retrievium
28-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 C39467578
RHF
6-31G(d)
(6D,10F)
C1
491.104187
|X|Y|Z|
61.699354 38.542006 128.745521
67.398312
28
|36.858105|
|13.748839|36.858105|
|7.928054|13.744438|36.858105|
|6.958699|8.025400|13.820642|36.858105|
|7.926294|6.849424|7.874841|13.820081|36.858105|
|13.737444|7.927363|6.851923|8.029716|13.756818|36.858105|
|4.598293|5.209547|7.949237|13.548351|7.960922|5.214749|73.516695|
|3.704545|4.124606|5.646654|7.374719|5.573382|4.096668|21.416085|388.023441|
|3.440588|4.047679|5.517937|5.914982|4.394610|3.539285|13.831188|95.065372|73.516695|
|3.721638|3.881987|4.856292|6.393051|5.770142|4.300764|13.752454|95.626772|13.774759|73.516695|
|2.892200|3.124938|3.983717|4.915825|4.152768|3.204636|13.439843|76.431919|13.127424|12.847964|36.858105|
|2.500714|2.737605|3.404829|3.879363|3.292366|2.678907|9.530581|50.951120|11.990999|9.374493|14.391324|36.858105|
|2.127726|2.285750|2.735173|3.063682|2.720391|2.277496|7.027152|33.120056|7.827232|6.886896|7.729183|12.616244|36.858105|
|2.009606|2.129360|2.505182|2.813357|2.561664|2.163755|6.266433|30.296414|7.065921|6.742442|6.573573|9.073788|17.513090|0.500000|
|1.917595|2.081067|2.452324|2.634283|2.330219|2.005617|5.779949|26.240441|6.735953|5.517999|5.087474|7.502522|12.424827|0.248446|36.858105|
|1.951132|2.144871|2.534082|2.665045|2.323362|2.013626|5.798928|24.666080|6.458990|5.064370|4.504659|5.979678|7.440382|0.152695|12.467220|36.858105|
|2.147147|2.403924|2.897124|3.010371|2.552079|2.197163|6.651433|28.023211|7.608041|5.525985|4.962495|6.566044|6.742957|0.138116|8.773765|17.580350|0.500000|
|1.728877|1.897557|2.188933|2.246095|1.983786|1.760256|4.685527|19.767661|5.288188|4.199884|3.341613|4.165170|4.866626|0.113754|7.532080|12.398739|0.245558|36.858105|
|1.693676|1.863662|2.129027|2.153013|1.904958|1.708936|4.405156|17.890319|4.765881|3.815197|2.920450|3.436203|3.805156|0.090330|5.028312|7.762603|0.192531|13.430273|73.516695|
|1.656916|1.799986|2.041493|2.091888|1.879022|1.686600|4.264955|16.848660|4.326807|3.631760|2.789166|3.155903|3.579416|0.085486|4.375104|6.299685|0.153016|7.511330|21.142137|332.344906|
|1.532179|1.642072|1.848046|1.918497|1.752312|1.574462|3.903703|15.657890|3.954387|3.444241|2.633329|2.978250|3.544606|0.087307|4.341897|5.542300|0.125802|6.491426|13.311879|81.725520|73.516695|
|1.910008|2.081028|2.411508|2.519392|2.236053|1.966180|5.296212|20.406346|5.116261|4.283337|3.512441|3.924277|4.435294|0.100407|5.043838|7.741038|0.198943|6.502583|13.395999|68.888418|13.348802|53.358707|
|1.944175|2.108123|2.472182|2.643431|2.345335|2.028667|5.734883|23.082212|5.712573|4.810369|4.284933|5.090721|6.472817|0.136777|7.685569|12.578186|0.255837|7.567311|11.830380|46.661982|12.000169|18.123513|53.358707|
|1.779672|1.907219|2.201157|2.355920|2.132185|1.862420|5.011311|20.371717|5.001988|4.378283|3.732997|4.366843|5.829307|0.132402|7.063551|9.161843|0.181545|7.032353|10.889384|46.570402|14.912645|13.383224|25.566566|0.500000|
|2.168973|2.329130|2.773272|3.086309|2.747789|2.314557|6.967112|27.334134|6.339117|5.621431|5.520966|6.050775|7.508809|0.153345|6.525957|7.586652|0.196399|4.924530|7.896600|30.420330|8.170121|10.811445|17.255713|0.257107|36.858105|
|2.128053|2.252749|2.672906|3.047226|2.767461|2.308533|6.954446|29.601922|6.609427|6.281000|6.727082|7.612684|12.405602|0.247825|7.531544|6.396747|0.159689|4.334388|6.510014|23.588239|6.772051|6.880769|10.306134|0.193833|12.417334|36.858105|
|1.908665|2.000301|2.322376|2.611286|2.424233|2.064183|5.717433|24.236363|5.514146|5.373793|4.984265|5.575531|8.898640|0.223217|6.781589|5.629166|0.132692|4.155533|6.247411|23.276264|7.120960|6.391094|9.313395|0.204800|8.902405|17.537484|0.500000|
|2.352454|2.438691|2.899552|3.470302|3.247714|2.634226|8.060830|33.411473|6.793543|7.345128|7.829459|6.725796|7.580055|0.188346|4.926299|4.391877|0.119438|3.272172|5.163073|18.780321|5.320800|5.323237|6.781996|0.128587|7.703316|12.603509|0.248440|36.858105|
|2.741633|2.845159|3.477934|4.391139|4.057075|3.135503|10.989930|47.548397|8.557364|10.235179|12.842985|7.813280|6.689110|0.169181|4.422233|3.970660|0.114532|3.010930|4.780126|16.834006|4.640399|4.673453|5.673490|0.104509|5.855278|7.720846|0.160316|14.340304|36.858105|
|3.024454|3.022946|3.624800|4.824808|4.859268|3.630763|11.266516|45.118589|7.763301|11.329525|8.042442|5.334312|4.595521|0.123329|3.387233|3.122332|0.090515|2.495335|4.058526|14.367205|3.965492|3.872550|4.453209|0.083740|4.296650|5.101142|0.118483|8.040704|14.295481|73.516695|
|1.596654|1.737289|1.938179|1.947316|1.757062|1.604295|3.859096|14.889708|3.843299|3.241043|2.355690|2.571226|2.763311|0.067582|3.180396|4.189406|0.112831|4.779954|12.714666|67.445594|11.866250|9.142630|6.369200|0.125608|3.640020|2.906606|0.078859|2.472106|2.281026|3.574188|36.858105|
|1.561340|1.711999|1.897149|1.872237|1.681527|1.549695|3.661374|14.209245|3.741834|3.100116|2.188082|2.391783|2.503491|0.061828|2.890926|3.719314|0.103729|4.400184|11.630482|43.153896|8.644764|6.714776|5.182045|0.100561|3.067720|2.542594|0.068338|2.199437|2.077908|3.290150|13.597988|36.858105|
|1.483839|1.620849|1.769117|1.731064|1.568019|1.463089|3.323360|12.780674|3.353591|2.821140|1.929404|2.069514|2.135700|0.053499|2.397476|2.948232|0.083127|3.343505|7.907846|29.471777|6.622171|5.149291|4.131400|0.080886|2.576952|2.178893|0.058724|1.935844|1.846196|2.974606|7.897762|13.837090|36.858105|
|1.442445|1.560552|1.690498|1.664449|1.524203|1.427875|3.175689|12.075248|3.118262|2.686351|1.825322|1.927977|1.997244|0.050310|2.193565|2.647218|0.074047|2.892277|6.537113|26.284576|6.209547|4.820159|3.851527|0.076376|2.467192|2.082741|0.056539|1.875841|1.778545|2.890560|6.886550|7.982986|13.701010|36.858105|
|1.468585|1.577916|1.716952|1.713714|1.577350|1.468389|3.295424|12.458382|3.169928|2.771191|1.914288|2.012658|2.115090|0.053109|2.304227|2.790401|0.076868|2.980279|6.679836|29.527359|7.086814|5.485240|4.249941|0.085339|2.725537|2.261101|0.061851|2.030333|1.895867|3.070274|7.899999|6.852788|7.882974|13.787706|36.858105|
|1.544014|1.662069|1.833875|1.851174|1.693782|1.556530|3.626226|13.778915|3.493659|3.035971|2.167887|2.307272|2.473131|0.061290|2.734747|3.421032|0.092371|3.661404|8.519710|43.436898|9.786456|7.532489|5.431275|0.109734|3.332704|2.679226|0.073506|2.343473|2.151373|3.423587|13.619090|7.878184|6.831041|7.963919|13.739059|36.858105|
|1.552745|1.654940|1.829228|1.877095|1.733853|1.584017|3.702313|14.017987|3.486401|3.103309|2.247121|2.369959|2.589898|0.064298|2.806829|3.444612|0.090981|3.520171|7.656099|40.986335|10.539445|8.028817|5.840244|0.122058|3.669727|2.912822|0.081266|2.548099|2.286841|3.630897|8.155666|5.265023|4.617893|5.240243|7.961036|14.239673|73.516695|
|17.729354|8.921614|5.644165|4.997286|5.644058|8.917938|6.491280|21.890200|5.181974|5.560856|2.488282|2.193301|1.899850|0.050175|1.731832|1.762763|0.053455|1.582372|2.769407|9.544018|2.519600|2.365170|2.392933|0.045047|1.938588|1.901714|0.047924|2.083703|2.382413|4.642379|1.484047|1.457758|1.396447|1.362173|1.382309|1.442014|2.572727|0.500000|
|8.910247|17.731051|8.934217|5.686933|4.940816|5.640725|7.485160|25.070687|6.448322|5.868487|2.763093|2.494101|2.110196|0.054656|1.959665|2.035994|0.063387|1.830883|3.223382|10.880102|2.811461|2.698798|2.705006|0.050082|2.152349|2.066426|0.051388|2.193044|2.506140|4.640480|1.700703|1.695382|1.617693|1.553139|1.555843|1.624890|2.849515|0.214966|0.500000|
|5.627909|8.851926|17.748134|8.945483|5.631483|4.943743|12.967932|40.140981|11.090834|8.050013|4.067006|3.617709|2.871191|0.072028|2.626620|2.760525|0.089694|2.388746|4.141304|13.720684|3.482931|3.523962|3.592386|0.064545|2.901893|2.752248|0.066084|2.890129|3.411219|6.031608|2.086090|2.061574|1.911856|1.805578|1.819403|1.947642|3.414489|0.123789|0.213463|0.500000|
|5.625305|4.943311|5.635087|8.957432|17.757503|8.848015|13.016499|39.307883|7.328716|10.838684|4.406411|3.394363|2.843183|0.075233|2.382277|2.337676|0.070274|1.980713|3.355166|11.738130|3.151526|3.055601|3.249846|0.060767|2.852093|2.944026|0.071781|3.599006|4.597281|10.728626|1.737636|1.647277|1.530575|1.493529|1.557281|1.681529|3.092456|0.123741|0.107379|0.124471|0.500000|
|8.908306|5.641652|4.942150|5.688810|8.938974|17.731432|7.492520|24.849118|5.375467|6.721656|2.862007|2.416237|2.098468|0.056006|1.850994|1.846678|0.055266|1.625881|2.807447|9.806236|2.627780|2.469763|2.548849|0.048247|2.131697|2.143983|0.053936|2.459472|2.880401|6.019933|1.495066|1.441127|1.366169|1.340615|1.382044|1.460283|2.654028|0.214962|0.124067|0.107386|0.213252|0.500000|
|2.490004|2.779708|3.462756|3.774976|3.140010|2.605637|8.897415|49.251210|14.339633|8.995838|9.174635|17.728979|8.486400|0.192014|6.974230|5.796342|0.187270|4.270517|6.214042|19.179642|5.060619|4.986005|6.182167|0.108600|4.885060|5.516169|0.122549|4.880404|5.571655|7.644302|2.537393|2.417174|2.091742|1.922526|1.976219|2.245438|4.017969|0.060858|0.071332|0.105413|0.087424|0.064865|0.500000|
|1.892945|2.067110|2.428527|2.568574|2.260826|1.961581|5.551637|26.023811|7.015393|5.516521|4.715628|6.997352|8.800780|0.210601|17.562690|8.936991|0.211621|6.971066|8.292478|23.935932|6.639391|5.666303|7.601399|0.143677|4.885533|5.487506|0.139138|4.087518|3.908631|5.522476|2.916939|2.747315|2.300269|2.081025|2.145291|2.496370|4.458143|0.047610|0.054447|0.072911|0.063593|0.050197|0.210759|0.500000|
|1.744420|1.870571|2.165145|2.323476|2.099336|1.828141|4.974634|22.174593|5.587618|4.845497|4.157263|5.517898|8.857304|0.222623|17.529064|8.888304|0.173283|6.998837|8.467535|27.090952|8.318773|6.370609|9.407212|0.207071|5.707901|6.740402|0.198032|4.493759|3.879030|5.445418|3.107470|2.791864|2.324365|2.144442|2.269793|2.701999|4.998324|0.044131|0.049106|0.063651|0.060027|0.047369|0.141544|0.304240|0.500000|
|1.727927|1.909696|2.200490|2.228969|1.957060|1.745173|4.610661|19.821831|5.476729|4.217076|3.241598|4.075444|4.487167|0.107699|6.730817|8.918328|0.219311|17.658654|16.808975|34.504247|8.582321|6.748855|7.569684|0.142215|4.112524|3.793450|0.099694|2.983556|2.836951|4.234322|4.077361|4.030407|3.154690|2.689814|2.694535|3.184276|5.343387|0.043993|0.051518|0.067350|0.053874|0.044659|0.122630|0.203266|0.167026|0.500000|
|1.600175|1.735694|1.980044|2.046976|1.837641|1.638162|4.232495|17.946431|4.710423|3.903833|3.048929|3.743714|4.585936|0.112387|7.051450|8.769320|0.173282|17.627561|16.537633|42.795997|12.913534|7.564905|9.011060|0.198021|4.486919|4.160091|0.117205|3.134678|2.827839|4.198400|4.375330|3.956716|3.085078|2.723818|2.837908|3.476115|6.086609|0.040891|0.046475|0.059210|0.051397|0.042382|0.104290|0.178795|0.216281|0.300788|0.500000|
|2.070171|2.287780|2.681077|2.766588|2.408779|2.112963|5.831455|21.939200|5.574805|4.512150|3.676921|4.045551|4.263133|0.095853|4.688559|7.132251|0.216374|5.870660|12.282871|50.795905|9.855028|25.832336|12.984769|0.190438|7.254937|4.694438|0.115747|3.814240|3.494827|5.187861|6.315415|5.016851|3.899509|3.600107|3.978499|5.196648|9.226358|0.052036|0.060646|0.081141|0.066295|0.053627|0.106797|0.111599|0.115526|0.133630|0.132971|0.500000|
|2.438593|2.662289|3.254929|3.635646|3.129008|2.593112|8.518096|31.847683|7.374194|6.230960|6.327180|6.574237|6.710537|0.137551|5.748178|6.947757|0.213702|4.596925|7.608550|28.001199|7.058373|9.916854|12.439459|0.181446|17.625504|8.763961|0.173627|7.051193|6.245252|8.191301|3.562240|3.083973|2.612334|2.486385|2.707127|3.247316|6.162078|0.059800|0.067850|0.095751|0.088859|0.065254|0.149389|0.128527|0.132530|0.111317|0.111442|0.219533|0.500000|
|2.084867|2.208221|2.580076|2.870356|2.620913|2.233979|6.261120|23.708286|5.433848|5.042818|4.490855|4.605657|5.468369|0.123723|4.908544|5.593287|0.145239|4.148882|7.053742|29.282559|8.113998|10.232730|12.493111|0.227007|17.654429|8.725523|0.215461|6.857132|5.108733|7.145871|3.641875|2.994772|2.555904|2.510700|2.844222|3.496533|7.186520|0.052122|0.056754|0.073860|0.076102|0.057759|0.107047|0.107849|0.128526|0.096851|0.108679|0.183676|0.301037|0.500000|
|2.222023|2.262200|2.625848|3.123772|3.032056|2.505314|6.885531|27.472766|5.673518|6.345944|5.562030|4.879985|5.516562|0.146491|4.032019|3.694901|0.099138|2.893478|4.672924|17.446507|5.042819|4.838850|5.877613|0.116450|6.267099|8.517574|0.217131|17.709422|9.097500|12.713952|2.337277|2.067705|1.839908|1.806782|1.972475|2.263772|4.447486|0.055215|0.056662|0.071737|0.094649|0.066148|0.106336|0.094732|0.107373|0.073084|0.078447|0.094976|0.155524|0.178185|0.500000|
|2.787132|2.737056|3.180955|4.093914|4.289098|3.347023|8.883087|34.312656|6.383165|8.762906|5.948108|4.422194|4.110889|0.112209|3.114521|2.890796|0.082219|2.346621|3.850726|13.872229|3.878485|3.716316|4.230709|0.081146|4.073994|4.803455|0.116883|7.717786|10.025710|35.675211|1.949989|1.783348|1.620026|1.587991|1.698241|1.890756|3.603859|0.067950|0.066310|0.082589|0.148706|0.089173|0.100965|0.078682|0.080273|0.061711|0.062437|0.076768|0.117172|0.110568|0.224929|0.500000|
|1.578350|1.741632|1.939321|1.904681|1.698255|1.561965|3.739409|14.734439|3.945572|3.200833|2.261055|2.512641|2.615558|0.064504|3.094520|4.017768|0.113042|5.036483|13.895738|41.141203|8.330889|6.449822|5.244947|0.100685|3.061918|2.580267|0.068932|2.212850|2.108068|3.320229|8.887050|17.760021|8.961264|5.666882|4.944864|5.622455|7.565436|0.040863|0.048021|0.059058|0.046089|0.040217|0.071767|0.083353|0.082229|0.133220|0.122011|0.135388|0.085941|0.080810|0.057145|0.049620|0.500000|
|1.444142|1.581645|1.715124|1.662647|1.505790|1.414150|3.164238|12.228946|3.237965|2.711214|1.819707|1.950300|1.990078|0.050204|2.229166|2.690494|0.076584|3.059399|6.981775|24.354550|5.660501|4.397862|3.666694|0.071651|2.321313|2.000659|0.053795|1.792433|1.727753|2.801278|5.625193|8.941224|17.752471|8.883165|5.624731|4.932935|6.514930|0.037904|0.044178|0.051644|0.040649|0.036681|0.055329|0.060362|0.059857|0.082671|0.078471|0.093411|0.065813|0.063368|0.047240|0.042269|0.215653|0.500000|
|1.378256|1.485868|1.593252|1.561365|1.438502|1.358909|2.946125|11.182501|2.885099|2.507462|1.670965|1.750847|1.800111|0.045726|1.955248|2.309902|0.064882|2.496763|5.446992|21.245761|5.210177|4.040777|3.330413|0.066211|2.181499|1.871686|0.050862|1.709076|1.631586|2.678722|4.959849|5.670104|8.913443|17.727588|8.977353|5.668143|7.511859|0.036367|0.041279|0.047078|0.039081|0.035560|0.048591|0.051904|0.053154|0.065470|0.065789|0.084225|0.061298|0.061761|0.045946|0.040967|0.124513|0.214494|0.500000|
|1.420209|1.513684|1.634257|1.636555|1.521244|1.423331|3.123537|11.746166|2.961305|2.635173|1.798221|1.868789|1.961487|0.049653|2.101074|2.486734|0.068406|2.601958|5.602225|24.412462|6.189979|4.781501|3.817329|0.077333|2.522346|2.117325|0.058241|1.931260|1.802222|2.947972|5.625669|4.941213|5.618308|8.905797|17.713452|8.915219|12.752015|0.037280|0.041421|0.047682|0.041835|0.037410|0.050675|0.054301|0.057771|0.065705|0.069648|0.095984|0.069417|0.074265|0.052717|0.045611|0.107381|0.123797|0.216080|0.500000|
|1.489798|1.576753|1.726405|1.771378|1.652476|1.520437|3.455450|13.025480|3.221362|2.913334|2.066585|2.152155|2.334223|0.058695|2.486391|2.957491|0.078704|2.999501|6.314167|30.978781|8.419016|6.315445|4.906735|0.102998|3.222254|2.628667|0.073750|2.354594|2.122980|3.419180|6.042837|4.407994|4.144543|4.965432|7.713727|9.974786|35.685402|0.038759|0.042473|0.049990|0.046120|0.040022|0.056978|0.062244|0.069457|0.072651|0.081854|0.117228|0.085064|0.099583|0.065090|0.053412|0.100663|0.093570|0.116416|0.227522|0.500000|
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