Version2.1
2020-12-27T16:42:46Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
09-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1ccc(cc1)CC2=C[C@H]3C[C@H]4CO[P@@](=O)(N[NH+]4C[C@@H]3C=C2S(=O)(=O)Oc5ccccc5)[O-] C39468788
RHF
6-31G(d)
(6D,7F)
c1ccc(cc1)CC2=C[C@H]3C[C@H]4CO[P@@](=O)(N[NH+]4C[C@@H]3C=C2S(=O)(=O)Oc5ccccc5)[O-]
C01[X(C23H25N2O6P1S1)]
168
C1
553
[O-][P@@]1(=O)OC[C@H]2[NH+](N1)C[C@H]1[C@H](C2)C=C(C(=C1)S(=O)(=O)Oc1ccccc1)Cc1ccccc1
[O-][P@@]1(=O)OC[C@H]2[NH+](N1)C[C@H]1[C@H](C2)C=C(C(=C1)S(=O)(=O)Oc1ccccc1)Cc1ccccc1
[O-][P]1(=O)N[NH+]2C[C@@H]3C=C(C(=C[C@H]3C[C@H]2CO1)Cc4ccccc4)[S](=O)(=O)Oc5ccccc5
InChIKey=NUZGFVSUUOQMSW-JBACZVJFSA-N
InChI=1S/C23H25N2O6PS/c26-32(27)24-25-15-20-14-23(33(28,29)31-22-9-5-2-6-10-22)19(11-17-7-3-1-4-8-17)12-18(20)13-21(25)16-30-32/h1-10,12,14,18,20-21H,11,13,15-16H2,(H2,24,26,27)/t18-,20-,21-/m0/s1
InChI=1/C23H25N2O6PS/c26-32(27)24-25-15-20-14-23(33(28,29)31-22-9-5-2-6-10-22)19(11-17-7-3-1-4-8-17)12-18(20)13-21(25)16-30-32/h1-10,12,14,18,20-21H,11,13,15-16H2,(H2,24,26,27)/t18-,20-,21-/m0/s1/f/h24-25H
c1ccc(cc1)CC2=C[C@H]3C[C@H]4CO[P@@](=O)(N[NH+]4C[C@@H]3C=C2S(=O)(=O)Oc5ccccc5)[O-]
C01[X(C23H25N2O6P1S1)]
168
C01
553
[O-][P@@]1(=O)OC[C@H]2[NH+](N1)C[C@H]1[C@H](C2)C=C(C(=C1)S(=O)(=O)Oc1ccccc1)Cc1ccccc1
O=[P@@]1([O])OC[C@H]2[N@H](N1)C[C@H]1[C@H](C2)C=C(C(=C1)S(=O)(=O)O[C]1[CH][CH][CH][CH][CH]1)C[C]1[CH][CH][CH][CH][CH]1
[O][P]1(=O)N[NH]2C[C@@H]3C=C(C(=C[C@H]3C[C@H]2CO1)C[C]4[CH][CH][CH][CH][CH]4)[S](=O)(=O)O[C]5[CH][CH][CH][CH][CH]5
InChIKey=CMQBNAGHTWJCLG-PFBHQMPISA-N
InChI=1S/C23H25N2O6PS/c26-32(27)24-25-15-20-14-23(33(28,29)31-22-9-5-2-6-10-22)19(11-17-7-3-1-4-8-17)12-18(20)13-21(25)16-30-32/h1-10,12,14,18,20-21,25H,11,13,15-16H2,(H,24,26)/t18-,20-,21-,32-/m0/s1
InChI=1/C23H25N2O6PS/c26-32(27)24-25-15-20-14-23(33(28,29)31-22-9-5-2-6-10-22)19(11-17-7-3-1-4-8-17)12-18(20)13-21(25)16-30-32/h1-10,12,14,18,20-21,25H,11,13,15-16H2,(H,24,26)/t18-,20-,21-,32-/m0/s1/f/h24H/t18-,20-,21-
3913.3798387148
-2181.7515157
1-A
18915.5318
128
425
553
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10.74351
-8.5233 3.9459 6.8921
11.6498
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-329.2014 -187.1413 -206.5112 9.8240 21.5765 -0.5669
|XX|YY|ZZ|XY|XZ|YZ|
-88.2501 53.8100 34.4401 9.8240 21.5765 -0.5669
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-729.2631 91.7616 21.9030 -30.0169 35.1737 156.1859 19.6406 9.5083 -19.2636 -23.0912
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168
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14.3812 17.3232 21.8513 28.3112 39.1693 52.7814 66.8035 68.5148 102.6565 115.4806 127.3268 131.8119 170.4760 185.5291 202.4679 225.6140 231.4477 247.2119 269.3609 287.9689 295.1345 306.8766 339.5261 353.1554 361.7987 383.9272 385.3057 395.5883 437.0551 455.0579 456.7803 465.6831 475.2845 479.2567 487.2433 513.7962 527.1600 532.0000 539.1442 544.8650 562.8302 580.6510 604.0286 626.2064 639.2960 650.3100 670.0930 680.1807 680.8635 704.3774 737.9271 760.5508 766.8136 773.9057 790.8209 798.0636 804.7262 823.9046 833.3098 848.8044 878.2622 885.8284 900.5543 935.5797 949.4543 956.4326 973.3633 976.4742 999.9108 1010.3010 1024.1952 1047.9695 1051.5075 1078.6621 1085.6082 1090.9286 1095.0722 1102.0746 1104.5819 1108.7846 1127.1886 1127.4437 1128.6853 1130.1530 1132.2729 1163.1526 1175.6933 1178.1216 1185.5378 1186.9823 1203.1323 1206.7324 1216.3803 1219.1052 1223.8578 1237.0283 1250.6665 1264.2862 1281.3516 1286.3595 1293.5679 1302.5333 1308.9814 1316.5782 1322.7489 1329.4358 1337.7046 1358.5654 1360.1461 1391.3601 1418.7821 1421.6129 1433.5547 1457.8113 1467.3330 1468.1795 1472.2725 1485.3020 1492.7575 1500.6003 1501.5703 1518.2993 1530.5597 1541.7274 1544.7859 1566.0730 1581.1191 1621.5661 1622.0881 1625.0915 1634.5351 1644.8553 1648.9777 1662.1703 1667.0282 1672.3851 1674.3408 1786.2807 1796.6911 1800.9725 1810.1459 1814.3983 1866.6835 3145.9005 3169.5821 3210.6951 3227.5813 3246.9977 3254.3169 3261.0843 3264.6705 3305.5904 3307.2077 3336.5404 3350.5135 3355.0703 3362.2374 3367.2217 3373.0481 3379.8743 3386.0673 3392.6070 3401.4619 3404.1011 3406.2152 3425.2511 3536.6851 3764.4033
6.7441 4.9711 5.8227 5.0600 4.7816 4.5715 5.4597 5.8596 8.4242 5.9675 6.8587 4.6178 5.3506 4.9795 4.9168 7.7820 8.1131 3.8812 4.3970 3.7065 6.3151 4.3463 7.6045 5.5838 5.5064 2.8081 2.8109 5.2693 4.0021 4.9305 2.9341 2.9751 5.3436 2.9228 3.8748 3.8302 3.5381 3.4686 4.8672 4.5763 6.3707 6.3743 5.9054 6.0318 6.0996 4.1018 5.8349 6.5750 6.2894 6.9348 4.2039 4.8520 2.3782 2.6059 4.5409 2.6530 2.4598 3.7802 2.7125 2.4047 2.0794 2.2910 2.1338 1.8057 1.2437 1.2541 6.2295 1.6191 1.5127 1.6388 1.5672 1.4634 1.5889 5.1189 1.4606 5.3201 5.5905 1.4219 1.3901 3.9222 1.8668 1.4538 1.3445 3.6968 2.3845 2.8364 2.9120 1.6764 2.9587 2.0220 4.9811 2.8712 2.5511 2.2914 2.2650 3.9639 2.3824 3.5443 2.4829 1.4411 2.0935 2.0144 1.3397 1.5782 1.7093 3.3993 1.5634 1.2947 1.3532 1.2438 1.1933 1.2259 1.2588 1.2747 1.3583 1.3635 1.3572 1.6815 3.2830 2.9138 2.1503 1.7513 1.4886 1.6110 1.5568 1.3287 1.6235 2.1104 2.1567 1.1850 1.1078 1.1027 1.0948 1.1195 2.2012 2.1098 1.1715 5.1999 5.7774 5.3519 5.3470 7.7804 7.5418 1.0824 1.0843 1.0646 1.0716 1.0882 1.0602 1.0868 1.0783 1.1095 1.0944 1.1061 1.0872 1.0917 1.0896 1.0878 1.0941 1.0920 1.0977 1.0957 1.0969 1.0933 1.0947 1.0957 1.0797 1.0763
0.0008 0.0009 0.0016 0.0024 0.0043 0.0075 0.0144 0.0162 0.0523 0.0469 0.0655 0.0473 0.0916 0.1010 0.1188 0.2334 0.2561 0.1398 0.1880 0.1811 0.3241 0.2412 0.5165 0.4103 0.4247 0.2439 0.2459 0.4858 0.4504 0.6016 0.3607 0.3801 0.7112 0.3955 0.5420 0.5957 0.5793 0.5784 0.8336 0.8005 1.1890 1.2662 1.2694 1.3936 1.4688 1.0220 1.5437 1.7922 1.7178 2.0272 1.3487 1.6536 0.8239 0.9196 1.6732 0.9955 0.9385 1.5119 1.1098 1.0207 0.9450 1.0592 1.0196 0.9312 0.6606 0.6759 3.4774 0.9096 0.8911 0.9855 0.9686 0.9469 1.0351 3.5091 1.0142 3.7305 3.9499 1.0175 0.9993 2.8410 1.3974 1.0888 1.0091 2.7819 1.8011 2.2609 2.3715 1.3709 2.4501 1.6785 4.2481 2.4634 2.2239 2.0064 1.9988 3.5739 2.1956 3.3379 2.4019 1.4050 2.0639 2.0136 1.3524 1.6118 1.7621 3.5398 1.6483 1.4079 1.4750 1.4187 1.4153 1.4598 1.5242 1.5961 1.7231 1.7316 1.7333 2.1857 4.3102 3.8659 2.8565 2.3786 2.0545 2.2561 2.1889 1.9199 2.3913 3.2695 3.3434 1.8439 1.7438 1.7578 1.7539 1.8223 3.6040 3.4767 1.9351 9.7756 10.9884 10.2276 10.3225 15.0911 15.4833 6.3115 6.4178 6.4661 6.5769 6.7596 6.6152 6.8093 6.7715 7.1426 7.0526 7.2551 7.1910 7.2401 7.2573 7.2668 7.3339 7.3495 7.4150 7.4301 7.4775 7.4645 7.4832 7.5738 7.9566 8.9863
1.1274 0.2984 0.3204 3.0509 2.2059 0.6933 3.4235 6.3408 6.7502 0.8945 1.5464 4.3706 1.2571 4.8325 1.5729 7.5203 2.5621 2.7388 2.9752 3.7828 1.7271 1.3570 2.9397 6.5372 1.6821 1.9374 2.5442 0.6227 5.4035 7.1815 0.6062 0.1069 38.4753 0.3209 13.4551 10.9126 11.9256 9.5128 21.4799 11.0232 31.0614 25.4317 73.3744 36.9555 16.2788 6.1653 16.9611 13.5461 1.5350 272.7586 14.6805 40.5738 29.5667 41.1162 64.5548 68.9626 108.6491 35.7117 47.1916 29.3901 95.4931 27.1871 68.3141 11.6236 2.4979 2.1086 266.3673 43.1598 21.7770 9.5491 7.8589 33.4033 6.8938 39.6031 2.0583 0.2637 2.3984 0.5326 0.7377 19.1876 11.5399 2.0970 3.0378 3.5582 2.6517 8.3058 13.9133 2.1893 112.7948 17.3097 39.0683 80.2846 32.9295 2.8735 0.7492 44.7054 36.9396 53.0165 108.9203 53.9746 153.4290 2.6290 1.6878 19.6742 27.8683 90.1833 7.9940 3.0558 7.4488 18.4438 8.6747 0.3840 1.6768 5.1599 7.3102 4.0490 40.2413 74.2716 405.2695 141.9775 162.4591 16.2238 19.2553 0.6939 4.2170 41.9865 8.3657 10.0536 5.1746 36.3039 0.0146 7.1067 11.1381 7.4398 93.6803 13.0213 24.3236 1.2457 10.4571 28.1154 3.8300 9.9362 15.8136 13.4858 14.6282 10.5250 21.7999 2.3020 34.0697 10.8026 20.5421 22.9648 6.6276 3.2721 9.5125 7.9078 4.3364 0.5474 37.7413 12.1464 33.0512 25.7045 4.9789 2.9128 6.4169 0.1439 155.7270 14.8112
2.5751 3.2100 1.0753 4.3790 2.2780 5.7474 2.2880 1.7612 1.4875 2.3318 1.8766 1.2108 1.7472 2.5132 3.7219 1.6200 4.3387 1.7405 2.4997 1.7428 1.2829 1.2715 2.4318 2.3004 3.0312 0.2503 0.5022 2.4881 1.4042 0.1771 0.1304 0.2605 2.5474 2.7832 0.7817 1.6289 1.8292 2.6402 0.8208 1.2492 0.9144 2.0831 2.6356 1.4176 2.2345 2.1187 3.4142 2.8253 5.1419 1.1388 3.3411 6.6047 0.4495 2.4612 10.9689 4.3037 1.1830 6.2559 2.6906 2.9531 4.8794 5.0596 8.0862 2.3693 2.3401 2.6907 4.0755 5.0168 2.8830 3.7524 1.0096 4.0468 3.2978 3.3899 2.4246 27.3123 24.6940 2.2860 1.9830 5.0850 4.6826 1.8364 0.9852 1.7252 11.1956 3.4303 1.2126 0.1868 4.8269 2.7185 15.2517 4.2451 1.9870 4.2874 4.5469 7.1987 3.9142 1.3737 4.7995 5.4627 2.3376 5.2316 8.9562 6.8151 16.1641 19.2232 1.6206 2.9501 4.4144 5.8107 3.5042 6.2199 11.3687 2.7179 1.3189 3.1232 0.8862 2.7335 0.5811 2.4452 2.8073 3.3781 4.1520 5.3461 2.4559 2.5925 4.7582 0.4703 0.8148 14.1446 1.1018 14.0564 2.8208 12.4326 0.6841 0.8657 2.2002 9.4983 8.9972 18.5854 30.7803 57.4151 16.2756 92.3179 19.0170 44.8754 69.5787 39.9053 82.7153 16.4634 74.0226 55.6379 46.0950 44.0436 37.3206 59.9726 92.5485 47.9744 59.0976 94.4226 206.8490 93.7235 140.9059 36.3292 107.6883 78.9683 20.2720 37.9190
0.7316 0.7005 0.7467 0.7420 0.7304 0.7487 0.7283 0.6933 0.7498 0.7158 0.4957 0.6489 0.6651 0.6814 0.4479 0.4430 0.3395 0.5821 0.6337 0.7490 0.3517 0.3812 0.2417 0.6588 0.7494 0.6937 0.7215 0.4701 0.5804 0.7365 0.3775 0.2897 0.3639 0.6676 0.7498 0.7499 0.2120 0.3124 0.6178 0.6095 0.7483 0.7500 0.3868 0.7006 0.3355 0.5118 0.5726 0.6971 0.7181 0.4619 0.0492 0.0805 0.3237 0.3589 0.0240 0.3660 0.6937 0.1743 0.2897 0.4337 0.0486 0.1572 0.0766 0.4411 0.7376 0.7458 0.7497 0.5215 0.7490 0.6327 0.6259 0.7315 0.5091 0.6331 0.6942 0.1186 0.1039 0.0905 0.1252 0.4592 0.1080 0.2723 0.1596 0.5845 0.0976 0.4521 0.2211 0.7344 0.2435 0.4234 0.2488 0.6289 0.7368 0.6268 0.3764 0.4265 0.2307 0.7494 0.5951 0.3557 0.5971 0.2774 0.5300 0.7095 0.4740 0.0842 0.7386 0.7072 0.5302 0.7121 0.7447 0.7371 0.7342 0.7020 0.5302 0.7397 0.5865 0.5526 0.3058 0.7479 0.5971 0.0959 0.2665 0.6053 0.5824 0.4595 0.6779 0.5162 0.6696 0.7383 0.6530 0.7364 0.7154 0.7494 0.5265 0.5233 0.5315 0.7431 0.7495 0.5841 0.7492 0.0394 0.5839 0.2291 0.2605 0.0736 0.1291 0.5574 0.1125 0.7227 0.0684 0.6626 0.4029 0.5021 0.7318 0.2894 0.6416 0.7349 0.7249 0.7498 0.1422 0.1972 0.1242 0.2510 0.1392 0.1801 0.1488 0.2558
0.8450 0.8239 0.8550 0.8519 0.8442 0.8563 0.8428 0.8189 0.8570 0.8343 0.6629 0.7871 0.7989 0.8105 0.6187 0.6140 0.5069 0.7358 0.7758 0.8565 0.5203 0.5520 0.3893 0.7943 0.8568 0.8192 0.8382 0.6396 0.7345 0.8483 0.5481 0.4493 0.5337 0.8007 0.8570 0.8571 0.3499 0.4761 0.7638 0.7574 0.8561 0.8571 0.5578 0.8240 0.5024 0.6771 0.7282 0.8215 0.8360 0.6319 0.0938 0.1491 0.4891 0.5282 0.0468 0.5359 0.8191 0.2969 0.4492 0.6050 0.0926 0.2717 0.1423 0.6121 0.8490 0.8544 0.8569 0.6855 0.8565 0.7750 0.7699 0.8449 0.6747 0.7753 0.8195 0.2120 0.1883 0.1660 0.2226 0.6294 0.1949 0.4280 0.2752 0.7377 0.1779 0.6227 0.3621 0.8468 0.3916 0.5949 0.3984 0.7721 0.8484 0.7706 0.5470 0.5980 0.3750 0.8567 0.7462 0.5247 0.7477 0.4343 0.6928 0.8300 0.6432 0.1552 0.8496 0.8285 0.6929 0.8319 0.8537 0.8487 0.8467 0.8249 0.6930 0.8504 0.7394 0.7118 0.4684 0.8558 0.7477 0.1750 0.4209 0.7542 0.7361 0.6296 0.8081 0.6809 0.8021 0.8495 0.7901 0.8482 0.8341 0.8567 0.6899 0.6871 0.6941 0.8526 0.8568 0.7374 0.8566 0.0758 0.7373 0.3728 0.4133 0.1371 0.2286 0.7158 0.2023 0.8390 0.1280 0.7970 0.5744 0.6686 0.8451 0.4489 0.7817 0.8472 0.8405 0.8570 0.2490 0.3295 0.2210 0.4013 0.2444 0.3052 0.2591 0.4074
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
6 6 6 6 6 6 6 6 6 6 1 6 6 1 6 8 15 8 7 7 1 6 6 1 6 6 16 8 8 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 1
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 31.97207 15.99491 15.99491 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 1.00783
12901.9983 24119.4497 32929.4533
0.99994 0.01063 0.00338 -0.01063 0.99994 -0.00033 -0.00338 0.00030 0.99999
1
0.00671 0.00359 0.00263
0.13988 0.07483 0.05481
20.69 24.92 31.44 40.73 56.36 75.94 96.12 98.58 147.70 166.15 183.19 189.65 245.28 266.93 291.31 324.61 333.00 355.68 387.55 414.32 424.63 441.53 488.50 508.11 520.55 552.39 554.37 569.16 628.82 654.73 657.20 670.01 683.83 689.54 701.03 739.24 758.47 765.43 775.71 783.94 809.79 835.43 869.06 900.97 919.80 935.65 964.11 978.63 979.61 1013.44 1061.71 1094.26 1103.27 1113.48 1137.81 1148.24 1157.82 1185.41 1198.95 1221.24 1263.62 1274.51 1295.70 1346.09 1366.05 1376.09 1400.45 1404.93 1438.65 1453.60 1473.59 1507.79 1512.88 1551.95 1561.95 1569.60 1575.56 1585.64 1589.25 1595.29 1621.77 1622.14 1623.93 1626.04 1629.09 1673.52 1691.56 1695.05 1705.72 1707.80 1731.04 1736.22 1750.10 1754.02 1760.86 1779.81 1799.43 1819.03 1843.58 1850.78 1861.16 1874.05 1883.33 1894.26 1903.14 1912.76 1924.66 1954.67 1956.95 2001.86 2041.31 2045.38 2062.57 2097.47 2111.16 2112.38 2118.27 2137.02 2147.75 2159.03 2160.42 2184.49 2202.13 2218.20 2222.60 2253.23 2274.88 2333.07 2333.82 2338.14 2351.73 2366.58 2372.51 2391.49 2398.48 2406.19 2409.00 2570.06 2585.04 2591.20 2604.40 2610.51 2685.74 4526.25 4560.32 4619.47 4643.77 4671.71 4682.24 4691.97 4697.13 4756.01 4758.33 4800.54 4820.64 4827.20 4837.51 4844.68 4853.06 4862.89 4871.80 4881.20 4893.95 4897.74 4900.78 4928.17 5088.50 5416.14
0.500207
0.526044
0.526988
0.440605
-2181.251309
-2181.225472
-2181.224527
-2181.310911
2.897334D-04
MUNgauss
RevisionA2.0
retrievium
27-Dec-2020
DUDE c1ccc(cc1)CC2=C[C@H]3C[C@H]4CO[P@@](=O)(N[NH+]4C[C@@H]3C=C2S(=O)(=O)Oc5ccccc5)[O-] C39468788
RHF
6-31G(d)
(6D,10F)
C1
488.117097
|X|Y|Z|
107.749019 77.531629 35.978225
66.984963
29
|36.858105|
|13.736505|36.858105|
|7.939445|13.772914|36.858105|
|6.818439|7.888109|13.685728|36.858105|
|7.925928|6.886574|7.974345|13.727797|36.858105|
|13.774306|7.963072|6.902870|7.900081|13.729632|36.858105|
|4.411126|4.997178|7.518041|12.489478|7.513806|4.994636|36.858105|
|3.707014|4.293704|6.085686|7.478981|5.241423|3.962440|12.541964|36.858105|
|3.270563|3.921022|5.374048|5.578731|4.063657|3.313914|7.668993|14.335661|36.858105|
|2.764243|3.239060|4.056249|4.043655|3.215297|2.758937|4.893100|7.664040|12.616459|36.858105|
|2.454759|2.793261|3.417313|3.533597|2.911643|2.495141|4.388052|6.501328|8.960283|17.439398|0.500000|
|2.535361|3.010861|3.616575|3.386998|2.748335|2.451567|3.823818|5.065199|7.488170|12.467159|0.247324|36.858105|
|2.181565|2.515704|2.884862|2.735742|2.320437|2.114136|3.005244|3.819060|4.890313|7.515396|0.191626|12.464427|36.858105|
|2.012853|2.281202|2.614336|2.546937|2.188033|1.980626|2.857076|3.615684|4.519227|6.798296|0.204650|8.811535|17.565639|0.500000|
|2.000933|2.304413|2.565788|2.382905|2.051923|1.910029|2.542646|3.043089|3.751445|4.884476|0.125907|7.511781|12.384430|0.245270|36.858105|
|1.792813|2.024718|2.208599|2.074568|1.827250|1.718427|2.190410|2.579357|3.034829|3.836153|0.102862|5.047409|7.809714|0.193496|13.682567|73.516695|
|1.818733|2.036319|2.186961|2.052454|1.830351|1.738806|2.125295|2.504200|2.848589|3.572694|0.094210|4.319918|6.206348|0.151198|7.422876|20.649533|332.344906|
|2.024551|2.297896|2.440584|2.233682|1.980736|1.901660|2.258871|2.647130|3.005198|3.681314|0.092348|4.492779|5.788853|0.129752|6.763805|13.500860|80.689402|73.516695|
|1.936583|2.158682|2.367058|2.272652|2.017475|1.883219|2.402184|2.941286|3.335873|4.475189|0.120787|5.026153|7.745327|0.200172|6.511895|13.391646|67.384908|13.590405|53.358707|
|2.230607|2.540985|2.860189|2.721541|2.349792|2.162259|2.908172|3.715691|4.406901|6.533131|0.163157|7.633875|12.608538|0.255956|7.615893|11.925141|46.241694|12.710621|18.105025|53.358707|
|2.353476|2.710555|3.003347|2.778820|2.398206|2.240360|2.876514|3.593825|4.204976|5.749476|0.135703|6.918224|9.223982|0.182148|7.239336|11.279106|48.021129|16.899512|13.583181|25.449617|0.500000|
|2.383328|2.677052|3.063762|3.023278|2.617442|2.363097|3.290217|4.420993|4.972694|7.584039|0.194738|6.505797|7.563200|0.192865|4.940247|7.924610|30.409690|8.596150|10.858035|17.447256|0.256353|36.858105|
|2.872001|3.307021|3.992947|3.975138|3.277552|2.864280|4.442089|6.713837|7.702054|12.450897|0.247781|7.636365|6.479368|0.158909|4.398939|6.597931|23.760082|7.165710|6.939990|10.488666|0.194055|12.511640|36.858105|
|3.222178|3.817966|4.571183|4.285215|3.489833|3.117121|4.446092|6.274583|7.001423|8.892373|0.174528|7.017471|5.810771|0.134176|4.308255|6.433095|23.750276|7.677838|6.465339|9.550074|0.207858|8.909814|17.454149|0.500000|
|2.992317|3.303466|3.998324|4.341682|3.697329|3.126668|4.989654|7.735248|6.781685|7.715943|0.194876|4.989508|4.384144|0.116810|3.286206|5.168100|18.748413|5.551075|5.286832|6.785109|0.128506|7.567491|12.648245|0.250682|36.858105|
|3.356293|3.678587|4.686571|5.624046|4.635557|3.652761|7.205575|12.734375|7.942401|6.826220|0.174734|4.474402|3.713114|0.099680|2.906605|4.528615|15.985073|4.751020|4.260918|5.301419|0.102821|5.114914|7.800154|0.185669|14.367686|36.858105|
|3.092908|3.154450|3.761857|4.741071|4.534312|3.569507|5.708831|6.660816|4.766569|4.258890|0.118357|3.186165|2.814109|0.077648|2.311829|3.725099|13.256161|3.883343|3.461827|4.029289|0.078499|3.727725|4.691038|0.118000|7.214270|10.763295|388.023441|
|2.672881|2.703707|3.084675|3.623870|3.547073|2.998835|4.059688|4.777020|3.852524|3.781635|0.107305|2.925342|2.715000|0.075764|2.236273|3.688436|13.401192|3.880432|3.562977|4.027496|0.077857|3.819209|4.422906|0.109956|6.780675|7.339166|95.215993|73.516695|
|3.608852|3.507690|4.113019|5.567470|5.994622|4.473662|6.112771|5.819648|4.158361|3.546205|0.095408|2.798080|2.454051|0.066724|2.079318|3.353968|11.938380|3.547566|3.020494|3.480585|0.069497|3.072779|3.812753|0.102360|5.171459|7.222633|95.583684|13.739665|73.516695|
|2.667803|2.740047|3.274853|4.081209|3.848244|3.049729|5.355175|5.921154|4.546202|4.011220|0.118827|3.046255|2.687268|0.076200|2.222679|3.576630|12.410453|3.565218|3.209223|3.687164|0.070597|3.291592|3.978774|0.097786|5.358508|7.301860|85.128199|13.768812|14.246203|73.516695|
|2.275877|2.366223|2.784216|3.277614|3.045765|2.519961|4.174387|4.868562|4.189229|4.000434|0.127014|3.068661|2.787539|0.081626|2.286104|3.711796|12.767860|3.585239|3.348721|3.788741|0.070818|3.386796|3.879216|0.092075|4.976200|5.853950|51.688231|11.493741|9.156223|24.322417|36.858105|
|2.028256|2.080320|2.377013|2.731055|2.613448|2.232884|3.265787|3.711125|3.305249|3.304971|0.103767|2.650470|2.507709|0.073984|2.090042|3.473756|12.116864|3.367517|3.182814|3.485089|0.065143|3.103783|3.348213|0.080543|4.207387|4.517447|40.928864|11.126358|7.690361|14.071341|13.793902|36.858105|
|1.792150|1.850006|2.092947|2.340776|2.224574|1.938623|2.757975|3.132106|2.938853|3.042527|0.097661|2.524073|2.454944|0.074104|2.064573|3.476444|12.029032|3.279934|3.156245|3.375552|0.062387|2.937023|3.025855|0.072676|3.564000|3.636906|29.461216|7.994893|5.878369|9.254422|8.010632|13.751261|36.858105|
|1.742525|1.823314|2.077506|2.294564|2.137531|1.863003|2.742982|3.144894|3.072095|3.226244|0.107315|2.708946|2.639740|0.081577|2.214547|3.707646|12.534954|3.377308|3.278287|3.513858|0.064146|2.987008|3.057121|0.072757|3.426891|3.480149|25.961932|6.639924|5.276773|8.178668|6.927283|7.915035|13.741974|36.858105|
|1.894232|2.008428|2.335001|2.594247|2.359013|2.023032|3.222206|3.761760|3.738491|3.853276|0.133051|3.152784|2.963505|0.091807|2.445996|3.991451|13.232296|3.591531|3.451549|3.816357|0.069418|3.228548|3.439326|0.080846|3.801849|3.992347|28.197524|6.720368|5.696581|9.303450|7.994047|6.849407|7.939354|13.748774|36.858105|
|2.181935|2.316700|2.756009|3.165343|2.842338|2.366535|4.142202|4.938439|4.619316|4.453410|0.150795|3.421848|3.066292|0.091858|2.494309|3.994836|13.370121|3.713073|3.492427|3.985739|0.073422|3.462285|3.948729|0.092347|4.627932|5.277572|37.772227|8.284166|7.299959|14.277771|13.795733|7.890301|6.869477|7.930901|13.746657|36.858105|
|1.609142|1.771993|1.881248|1.786058|1.619688|1.548005|1.845751|2.134320|2.370804|2.875049|0.078000|3.304579|4.395652|0.116874|5.040080|13.401501|82.241023|12.789095|9.902440|6.808690|0.138378|3.821375|3.048973|0.083696|2.544213|2.201256|13.419964|3.436837|3.037265|3.168406|1.847417|1.784665|1.794541|1.865205|1.933176|1.923288|73.516695|
|17.716206|8.901268|5.644924|4.923524|5.637544|8.910753|3.531788|3.080921|2.788983|2.431429|0.060552|2.274221|1.995989|0.051237|1.858356|2.992725|10.738727|3.407727|2.459882|2.791181|0.060384|2.166138|2.540208|0.078927|2.619999|2.860518|19.067943|4.238140|5.477041|4.156720|2.028680|1.836597|1.638764|1.592278|1.714437|1.946534|2.725063|0.500000|
|8.904328|17.710972|8.930320|5.626468|4.958576|5.654088|4.082532|3.715614|3.580713|3.072069|0.073380|2.976341|2.512735|0.062619|2.355042|3.679497|13.030462|4.247878|2.944255|3.447275|0.076263|2.596861|3.130251|0.101672|3.013506|3.230346|19.573451|4.306170|5.278626|4.311853|2.144961|1.906172|1.719031|1.705541|1.871428|2.123383|3.217624|0.214448|0.500000|
|5.654204|8.957336|17.703724|8.896189|5.656936|4.966500|6.981154|6.414889|6.427472|4.720562|0.106449|4.345788|3.308214|0.081683|2.938877|4.383756|15.017896|4.803321|3.517005|4.345353|0.093669|3.334793|4.416135|0.142622|4.125892|4.676060|25.241114|5.253002|6.518675|5.635806|2.775560|2.358406|2.105225|2.123517|2.413802|2.825447|3.616752|0.124320|0.216583|0.500000|
|5.649782|4.961822|5.661863|8.928129|17.751349|8.931170|6.978194|4.943392|3.771087|3.032660|0.078418|2.561099|2.193081|0.058323|1.931387|3.083103|10.846926|3.292505|2.624327|3.024012|0.062145|2.502222|3.085458|0.088449|3.597958|4.600368|35.645309|6.796460|13.118966|7.689813|3.301325|2.829307|2.366875|2.244081|2.463312|3.000846|2.753878|0.124205|0.107666|0.124229|0.500000|
|8.919616|5.653524|4.967404|5.635716|8.928213|17.715790|4.081046|3.348434|2.836777|2.424776|0.061961|2.168448|1.905836|0.050020|1.732931|2.804031|10.015410|3.093824|2.356955|2.665167|0.056126|2.139216|2.530642|0.075425|2.784926|3.201381|23.363932|5.035515|7.410997|5.045948|2.359883|2.128646|1.851580|1.765041|1.893126|2.193543|2.563175|0.214638|0.124155|0.107751|0.216128|0.500000|
|3.978791|4.183310|5.588228|8.896272|7.320081|4.778549|17.632706|8.839125|5.812394|4.149977|0.109222|3.274081|2.680228|0.072276|2.282230|3.560053|12.198389|3.639321|3.013681|3.565050|0.071238|2.993123|3.873332|0.104820|4.578730|6.677411|46.119031|7.769791|13.399138|11.618349|4.685611|3.598450|2.956428|2.887846|3.372321|4.449610|3.057518|0.090563|0.096197|0.140573|0.225173|0.113812|0.500000|
|4.000077|4.636232|6.781150|8.906520|5.921322|4.330038|17.556410|9.020793|7.425302|4.679194|0.117964|3.852199|2.976844|0.078820|2.563246|3.886242|12.991426|3.910201|3.142450|3.786732|0.076309|3.039420|3.972565|0.110052|4.167704|5.470275|31.664806|6.006852|8.218357|8.036893|3.765232|2.974813|2.587088|2.639211|3.147822|3.949240|3.211302|0.091002|0.109165|0.191851|0.152632|0.100178|0.304676|0.500000|
|3.239459|3.962473|5.448802|5.364346|3.883725|3.220829|7.109848|9.136027|17.693156|8.545469|0.188780|7.040879|4.531293|0.115733|3.701513|5.246297|16.874096|5.081859|4.120481|5.293274|0.105069|4.080261|5.608070|0.151516|4.910705|5.605750|27.690020|5.698403|6.374584|6.861793|3.591201|2.891237|2.623163|2.778944|3.379663|4.037765|4.014394|0.077024|0.102216|0.192770|0.098894|0.076432|0.148659|0.227831|0.500000|
|2.386988|2.819018|3.379330|3.191277|2.600826|2.317070|3.668826|4.609118|6.769059|8.806291|0.213874|17.552252|8.948070|0.214746|6.898919|8.309360|23.640769|6.795398|5.667669|7.584096|0.141846|4.879844|5.525959|0.142189|4.121219|3.919791|20.776419|4.722797|4.628057|5.159257|2.953037|2.539158|2.448419|2.681838|3.175942|3.394258|5.348850|0.059668|0.077523|0.112798|0.067777|0.057185|0.088055|0.107248|0.201874|0.500000|
|2.768227|3.385456|4.040560|3.581485|2.873619|2.606296|3.841250|4.876596|6.876567|8.839550|0.173899|17.520749|8.855910|0.173355|7.003408|8.484993|26.625704|8.572921|6.284641|9.242631|0.199519|5.682816|6.876907|0.208337|4.614333|4.215908|21.546473|4.921087|4.877514|5.022103|2.764532|2.407503|2.268588|2.389097|2.732537|2.994487|5.737663|0.068978|0.095122|0.140279|0.072771|0.063392|0.089520|0.107454|0.189908|0.303362|0.500000|
|1.909215|2.192337|2.450194|2.291592|1.973867|1.830751|2.475651|2.913256|3.614341|4.513883|0.120555|6.792058|8.954039|0.219423|17.599296|16.860794|34.084338|8.801908|6.749904|7.604426|0.144923|4.113577|3.838856|0.102921|2.989129|2.725074|15.635340|3.745872|3.534102|3.841016|2.237013|2.036876|2.028558|2.208094|2.463485|2.484348|7.468548|0.049252|0.062078|0.078031|0.051842|0.046234|0.062000|0.070632|0.102367|0.204074|0.169760|0.500000|
|2.126042|2.482805|2.736100|2.474896|2.121680|1.996175|2.579446|3.039831|3.728271|4.622344|0.113400|7.066757|8.822282|0.173713|17.607115|16.599056|42.321357|13.550128|7.562576|9.105955|0.205243|4.545865|4.271651|0.123496|3.194549|2.858877|16.119977|3.866907|3.684009|3.821948|2.168212|1.976031|1.927289|2.040843|2.250524|2.334117|8.212726|0.055008|0.071705|0.088168|0.054809|0.050050|0.063601|0.072317|0.103927|0.176411|0.217891|0.300800|0.500000|
|1.819870|2.013123|2.219301|2.163885|1.928632|1.788157|2.325610|2.843133|3.220339|4.319624|0.123498|4.733446|7.279404|0.222971|6.007320|12.583195|50.600947|10.028405|25.839354|13.011268|0.192400|7.094130|4.677846|0.115845|3.716995|3.034738|17.831601|4.613877|3.853309|4.223969|2.535400|2.430395|2.458939|2.592290|2.712005|2.678678|11.768502|0.047130|0.055630|0.066983|0.051698|0.045875|0.060181|0.062422|0.081366|0.113415|0.115505|0.136253|0.135014|0.500000|
|2.173153|2.403917|2.750876|2.782465|2.439890|2.187344|3.108499|4.130957|4.590815|6.843245|0.208214|5.727228|6.850898|0.206458|4.553133|7.536976|27.702438|7.288232|9.931254|12.467934|0.180839|17.591947|8.792223|0.173441|6.833003|4.842530|26.405273|6.916766|5.316542|6.074935|3.691392|3.436721|3.341022|3.451753|3.695888|3.836599|6.524599|0.055013|0.064368|0.082296|0.065969|0.055547|0.080443|0.080479|0.105751|0.128373|0.131959|0.109990|0.111503|0.212744|0.500000|
|2.348601|2.596165|2.891256|2.848304|2.530026|2.324592|2.998990|3.863631|4.097586|5.486437|0.141730|4.893018|5.588930|0.143510|4.175274|7.096848|29.488468|8.549783|10.261445|12.566635|0.227580|17.642975|8.720787|0.212682|6.737921|4.608530|25.404737|6.788924|5.316253|5.445731|3.108564|2.936374|2.767511|2.739685|2.872562|3.067850|6.827044|0.059901|0.070193|0.085406|0.067286|0.058990|0.076828|0.076135|0.095662|0.107675|0.127860|0.097114|0.110372|0.177732|0.301403|0.500000|
|2.721910|2.916108|3.378360|3.662688|3.296664|2.862484|4.050138|5.526808|4.921169|5.615007|0.152605|4.086093|3.869092|0.105568|2.986795|4.871367|18.147661|5.290994|5.196321|6.241899|0.117800|7.062148|8.472325|0.187267|17.740745|9.121893|49.429609|14.462250|8.737017|8.985781|4.859904|4.437081|3.752034|3.469836|3.657496|4.290308|4.481974|0.067440|0.074542|0.094759|0.090953|0.072552|0.108090|0.095699|0.107018|0.096067|0.105675|0.075323|0.080105|0.102455|0.188291|0.198043|0.500000|
|2.041882|2.062317|2.323998|2.680493|2.633115|2.268928|3.107067|3.444148|3.012325|2.988428|0.090764|2.428852|2.308629|0.067113|1.946570|3.258327|11.527781|3.230348|3.007626|3.267278|0.061902|2.909777|3.129049|0.076942|3.992049|4.273031|42.194462|12.692795|8.159909|12.840429|8.941807|17.772681|8.867553|5.627292|4.944192|5.637377|3.034177|0.051581|0.052333|0.063129|0.080106|0.060801|0.095881|0.077515|0.073488|0.064112|0.062364|0.052347|0.051601|0.063132|0.087647|0.078483|0.120895|0.500000|
|1.662069|1.703451|1.899521|2.103802|2.025412|1.792145|2.416775|2.702042|2.548754|2.655253|0.083532|2.257535|2.232880|0.067158|1.907513|3.258084|11.381686|3.092703|2.964651|3.106480|0.057772|2.672028|2.690045|0.065629|3.121862|3.124797|25.382354|7.130260|5.236004|7.475256|5.682729|8.946796|17.727987|8.911003|5.646210|4.951011|3.058872|0.042570|0.044196|0.052878|0.059772|0.047956|0.071596|0.063092|0.063841|0.060712|0.056949|0.051943|0.049570|0.064223|0.083941|0.071358|0.093123|0.214176|0.500000|
|1.593142|1.666723|1.878981|2.044798|1.911675|1.688984|2.398698|2.716393|2.706571|2.879256|0.094773|2.504076|2.494021|0.077806|2.130468|3.616645|12.172491|3.241450|3.150385|3.304006|0.060307|2.739512|2.729084|0.065730|2.961202|2.951317|21.609617|5.575010|4.523397|6.493574|4.980730|5.638156|8.913684|17.725059|8.914051|5.643212|3.263253|0.040735|0.043669|0.053545|0.055372|0.044617|0.069374|0.064847|0.069182|0.069440|0.061501|0.059403|0.054237|0.069962|0.088072|0.070264|0.083618|0.123816|0.214873|0.500000|
|1.813794|1.939044|2.250635|2.457036|2.214242|1.915006|3.032822|3.504365|3.642066|3.788850|0.131865|3.224083|3.039399|0.095695|2.538562|4.123990|13.368413|3.598462|3.435942|3.785128|0.068663|3.090092|3.253560|0.077200|3.414918|3.544242|23.973031|5.658773|5.012361|7.522956|5.673000|4.940145|5.644273|8.907534|17.721378|8.931318|3.474262|0.045750|0.050620|0.065465|0.063467|0.049654|0.086376|0.084668|0.094347|0.093006|0.076816|0.072407|0.064289|0.075587|0.097851|0.075577|0.089790|0.107382|0.124088|0.214693|0.500000|
|2.347112|2.529755|3.081991|3.564358|3.098415|2.537918|4.939042|5.906428|5.621754|5.013572|0.167609|3.791437|3.238227|0.095515|2.631649|4.123133|13.607102|3.821092|3.504167|4.088741|0.075951|3.478715|4.142378|0.097903|4.678694|5.610557|36.662896|7.526313|7.403724|13.155975|8.955367|5.639617|4.952447|5.629860|8.857125|17.741341|3.438267|0.057602|0.064123|0.088908|0.089868|0.064447|0.145010|0.135223|0.138368|0.106727|0.091939|0.073457|0.068891|0.073835|0.103950|0.084291|0.114125|0.124476|0.107530|0.123778|0.213573|0.500000|
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