Version2.1
2020-12-26T14:23:43Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
10-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)[N+](=O)[O-] C22065234
RHF
6-31G(d)
(6D,7F)
c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)[N+](=O)[O-]
C01[X(C21H23N1O11)]
162
C1
541
OC[C@H]1O[C@@H](Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)[N+](=O)[O-])O)[C@H]([C@H]([C@@H]1O)O)O
OC[C@H]1O[C@@H](Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)[N+](=O)[O-])O)[C@H]([C@H]([C@@H]1O)O)O
OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc3ccc(cc3)[N+]([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIKey=UZMKMTNQYIJXTD-BVJIBDCISA-N
InChI=1S/C21H23NO11/c23-9-16-18(27)19(28)20(29)21(33-16)32-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(5-2-10)22(30)31/h1-2,4-5,7-8,16,18-21,23-24,26-29H,3,6,9H2/t16-,18-,19+,20+,21-/m1/s1
InChI=1/C21H23NO11/c23-9-16-18(27)19(28)20(29)21(33-16)32-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(5-2-10)22(30)31/h1-2,4-5,7-8,16,18-21,23-24,26-29H,3,6,9H2/t16-,18-,19+,20+,21-/m1/s1
c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)[N+](=O)[O-]
C01[X(C21H23N1O11)]
162
C01
541
OC[C@H]1O[C@@H](Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)[N+](=O)[O-])O)[C@H]([C@H]([C@@H]1O)O)O
OC[C@H]1O[C@@H](O[C]2[CH][C]([CH][C]([C]2C(=O)CC[C]2[CH][CH][C]([CH][CH]2)[N]([O])[O])O)O)[C@H]([C@H]([C@@H]1O)O)O
[O]N([O])[C]1[CH][CH][C]([CH][CH]1)CCC(=O)[C]2[C](O)[CH][C](O)[CH][C]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O
InChIKey=UZMKMTNQYIJXTD-BVJIBDCISA-N
InChI=1S/C21H23NO11/c23-9-16-18(27)19(28)20(29)21(33-16)32-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(5-2-10)22(30)31/h1-2,4-5,7-8,16,18-21,23-24,26-29H,3,6,9H2/t16-,18-,19+,20+,21-/m1/s1
InChI=1/C21H23NO11/c23-9-16-18(27)19(28)20(29)21(33-16)32-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(5-2-10)22(30)31/h1-2,4-5,7-8,16,18-21,23-24,26-29H,3,6,9H2/t16-,18-,19+,20+,21-/m1/s1
3388.9250147538
-1686.4057214
1-A
23906.6992
122
419
541
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10.69208
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7.2220
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-240.2548 -180.3981 -195.6836 4.1385 14.4956 0.8988
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-34.8093 25.0474 9.7619 4.1385 14.4956 0.8988
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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|
6.5852 12.3108 18.8029 24.7902 33.3435 38.1222 51.1753 60.9703 65.2818 81.1634 84.6299 110.8353 133.2300 138.8224 141.1472 174.3530 191.6276 201.6511 224.9151 237.8051 241.5685 246.8214 254.8296 264.7700 270.2164 288.4872 301.2684 321.9536 334.5631 355.6890 367.8972 375.2716 384.7537 394.3932 414.9404 421.6992 433.4583 437.2494 447.1354 460.2154 483.5015 490.0095 512.7351 529.1628 546.5937 568.7384 579.1209 580.9213 599.5428 628.3460 632.6474 663.0287 684.7227 693.5576 694.2578 701.8010 717.8080 740.7565 783.2419 796.0163 820.5525 836.3853 854.5500 866.8681 888.6404 902.2656 921.6602 929.7918 952.2990 963.2566 965.4603 976.6264 986.1288 1035.3939 1072.2588 1107.3271 1112.5858 1114.6804 1117.0409 1118.5293 1122.6541 1138.1162 1150.5743 1167.3067 1201.5301 1203.1870 1203.7663 1224.6278 1233.4815 1240.9027 1243.1118 1252.8140 1261.3982 1271.4584 1285.7626 1306.8728 1308.3803 1320.6277 1322.6016 1327.5262 1340.7261 1346.7819 1350.6566 1364.5207 1382.9876 1386.7961 1399.8238 1406.8666 1428.2184 1431.2989 1438.3919 1449.6136 1462.9448 1468.3268 1498.0505 1505.7129 1529.6383 1535.1489 1555.4422 1564.1977 1573.1409 1577.4788 1577.6598 1585.7303 1610.3546 1612.0339 1634.7735 1637.3512 1638.5866 1642.2761 1669.0775 1678.6940 1688.7604 1769.3065 1801.8159 1805.4643 1816.1316 1862.4488 1978.6033 3184.0540 3195.4051 3198.2924 3212.3156 3214.7171 3221.2216 3243.4582 3247.5497 3272.8145 3285.1910 3310.3321 3371.2748 3372.1040 3378.7695 3424.8293 3436.2441 3436.4134 4044.0063 4064.9337 4082.3349 4100.0889 4111.7054 4116.1510
6.7610 5.1733 7.1331 6.8944 6.5446 5.6545 6.3464 7.0532 7.7990 4.0630 5.2623 6.5392 5.2847 5.7436 5.9016 5.5227 7.0239 3.2055 4.5980 3.2355 5.1875 2.7933 2.9738 2.7609 5.2429 5.6216 5.0783 5.0880 5.5443 1.6708 2.5385 5.2619 3.1314 4.5643 1.1265 1.4546 7.0600 4.8252 2.7123 2.9714 5.0441 1.6106 1.7168 1.5716 2.7406 3.4788 6.9371 5.4057 3.2121 4.6010 4.5960 4.0992 4.6549 4.0171 6.6837 5.2720 2.8539 4.1949 3.6105 4.3715 3.0951 5.8192 3.8328 2.0004 5.0980 1.7259 3.5691 1.7818 1.2459 3.1019 5.9466 2.3561 2.5667 2.4156 4.3454 2.1971 1.7447 2.3593 1.3650 2.7269 2.8490 3.7124 3.2480 3.6484 2.8080 1.7095 3.1878 2.8291 2.6849 2.3446 3.0106 2.3137 2.3205 3.5231 3.3289 1.4114 1.6325 1.5135 2.4124 3.1419 2.1555 1.2351 1.9867 1.7232 1.2528 1.7125 1.3012 1.2128 1.3312 1.2926 1.4848 1.5655 1.2614 1.2902 1.4150 1.3196 1.8343 2.8113 1.7598 1.4655 1.4091 2.3189 1.6287 1.4396 1.6961 1.0903 2.5506 3.8348 2.3092 1.2696 1.0917 2.4453 3.4790 7.3145 6.0245 5.4811 6.5121 11.9209 12.3151 1.0840 1.0843 1.0743 1.0731 1.0832 1.0770 1.0628 1.0878 1.1047 1.1018 1.0913 1.0919 1.0919 1.0934 1.0931 1.0945 1.0942 1.0669 1.0660 1.0663 1.0668 1.0668 1.0670
0.0002 0.0005 0.0015 0.0025 0.0043 0.0048 0.0098 0.0154 0.0196 0.0158 0.0222 0.0473 0.0553 0.0652 0.0693 0.0989 0.1520 0.0768 0.1370 0.1078 0.1784 0.1003 0.1138 0.1140 0.2256 0.2757 0.2716 0.3107 0.3656 0.1245 0.2024 0.4366 0.2731 0.4183 0.1143 0.1524 0.7815 0.5435 0.3195 0.3708 0.6948 0.2279 0.2659 0.2593 0.4824 0.6630 1.3708 1.0748 0.6803 1.0703 1.0838 1.0617 1.2859 1.1385 1.8980 1.5299 0.8664 1.3562 1.3050 1.6320 1.2278 2.3984 1.6491 0.8857 2.3719 0.8278 1.7863 0.9076 0.6657 1.6957 3.2658 1.3241 1.4706 1.5258 2.9436 1.5873 1.2725 1.7272 1.0035 2.0101 2.1156 2.8332 2.5333 2.9290 2.3885 1.4581 2.7216 2.4998 2.4068 2.1271 2.7411 2.1396 2.1754 3.3557 3.2424 1.4203 1.6465 1.5552 2.4863 3.2624 2.2829 1.3199 2.1354 1.8903 1.4118 1.9405 1.5022 1.4143 1.5999 1.5602 1.8099 1.9383 1.5906 1.6389 1.8710 1.7628 2.5287 3.9035 2.5085 2.1127 2.0546 3.3998 2.3885 2.1328 2.5915 1.6694 4.0162 6.0572 3.6530 2.0174 1.7918 4.0600 5.8458 13.4908 11.5237 10.5268 12.6552 24.3628 28.4058 6.4748 6.5231 6.4745 6.5241 6.5954 6.5842 6.5875 6.7597 6.9719 7.0060 7.0462 7.3118 7.3151 7.3543 7.5543 7.6144 7.6132 10.2804 10.3781 10.4701 10.5665 10.6262 10.6511
0.0308 0.0605 0.4979 0.7407 0.7268 0.9940 1.6211 0.3189 1.2182 3.7508 1.2134 7.0255 0.6252 1.0817 2.0840 2.9252 1.6230 11.2694 8.1952 44.6253 3.7261 36.2060 25.6635 26.6364 1.1941 1.9349 9.3455 12.3606 7.7584 49.6035 39.6725 6.9548 2.7914 20.4353 128.4430 56.3947 12.7167 12.8512 27.9385 0.0146 6.2425 119.4220 39.6865 168.0065 51.9645 10.5004 2.2593 6.3938 9.6857 0.8440 42.5497 8.7456 14.6340 4.3180 0.9032 7.3730 6.6239 17.5675 9.5146 17.0013 5.6216 53.2513 33.9452 9.6549 36.0636 49.0300 12.6046 56.4625 0.0314 44.7387 39.1844 31.5490 23.8971 40.4503 67.3029 23.6274 7.3616 1.8900 1.0781 33.9890 0.5840 4.6489 4.9064 72.1580 38.8386 0.2089 3.0515 335.0284 56.7755 14.6094 28.5229 8.9615 52.7034 144.6852 466.4172 6.5366 78.0701 27.3038 16.6183 158.5244 77.4420 62.1082 10.5660 138.0708 98.8901 99.3747 181.3789 33.7879 51.7454 0.8288 116.8194 44.2739 1.2475 0.2547 249.1724 63.8398 27.0090 74.6859 54.8458 13.4242 20.4192 1.2306 8.7970 20.3240 67.8705 10.7964 264.3466 298.3798 27.9402 84.5864 3.3874 0.2253 110.2065 76.6047 199.3313 76.8597 533.6622 411.3045 285.8229 10.0251 19.0159 12.2243 3.8217 68.2357 41.4093 17.9187 80.0385 53.1860 8.5494 5.4047 14.1164 8.8694 4.4987 3.8709 1.0359 0.1051 196.8681 79.3417 86.8604 117.9126 115.8932 61.3455
1.2591 6.2210 1.2558 1.8513 2.3995 1.7779 0.3703 0.1977 1.1516 0.7238 0.4978 0.7439 0.2045 0.2252 0.2848 0.1997 0.4452 0.5492 1.1839 1.8874 0.7043 2.2599 2.4558 1.5031 0.9136 1.2681 0.3836 2.5241 1.8268 2.4809 1.0731 0.5013 1.2687 1.6956 1.8628 2.5736 1.0651 3.1881 0.2815 0.0071 0.2463 0.7474 1.6986 2.2011 4.6022 3.0471 0.7271 5.2723 1.8324 1.6614 3.7452 0.0798 1.7965 1.1693 7.0686 1.7715 0.3511 1.5926 1.7073 6.8999 0.4053 1.0029 4.9545 1.1104 1.7111 1.5844 17.0394 2.8661 2.5839 16.1138 11.4174 7.3287 0.8840 2.9335 15.4970 3.0109 1.9306 3.6827 0.1033 8.6371 5.2638 18.9698 14.2147 1.4486 3.3323 0.3452 9.2357 2.2708 12.5660 3.6831 58.8881 3.3811 2.0731 7.1242 6.3522 1.8492 1.7150 2.7216 9.0355 9.1606 6.0830 4.1999 0.7398 3.5289 6.0884 2.8421 6.0508 2.3927 8.3261 3.9019 5.6532 25.7527 2.0463 1.8129 4.4987 7.2831 4.5775 8.2971 3.0559 8.0092 3.6071 0.5037 1.4591 1.3048 4.9327 28.7495 15.2563 162.0035 24.2621 17.3027 9.6501 21.9405 3.6748 1.3807 6.7168 187.4800 63.3165 0.2923 15.7276 3.6016 92.5956 44.2699 23.1455 50.0615 123.2399 62.6123 55.0565 74.0221 53.2966 8.6751 49.5476 77.4947 112.4332 80.1915 107.5405 34.0685 69.4322 32.3748 77.8126 79.7559 84.7374 124.5331
0.7440 0.7500 0.7492 0.7302 0.7397 0.7150 0.5761 0.6312 0.7427 0.4913 0.6783 0.7484 0.2149 0.5604 0.5258 0.4085 0.2785 0.4059 0.3595 0.6677 0.5181 0.7481 0.5345 0.7156 0.6054 0.5987 0.3490 0.6152 0.2827 0.7356 0.6093 0.2977 0.6283 0.3445 0.7404 0.6064 0.4437 0.3399 0.7034 0.6635 0.7499 0.7191 0.5288 0.5150 0.2339 0.2250 0.6719 0.4319 0.4225 0.1755 0.1521 0.2517 0.3332 0.5153 0.7489 0.1027 0.5022 0.5078 0.2524 0.1192 0.5201 0.6916 0.3074 0.7458 0.7445 0.7496 0.1558 0.2714 0.7497 0.0782 0.1296 0.2921 0.6762 0.3947 0.4243 0.4704 0.4774 0.7272 0.6268 0.2076 0.1978 0.2535 0.3145 0.5875 0.6901 0.7426 0.3577 0.4397 0.5604 0.5446 0.2163 0.7382 0.6865 0.7068 0.1505 0.7498 0.6226 0.6799 0.1634 0.2031 0.7189 0.7500 0.7477 0.4514 0.6535 0.6439 0.6627 0.5081 0.6234 0.7372 0.7026 0.3304 0.6267 0.6564 0.5809 0.6901 0.1250 0.3640 0.3803 0.7491 0.7142 0.6647 0.6316 0.7040 0.7131 0.5437 0.1990 0.2623 0.2723 0.2289 0.7241 0.3021 0.1901 0.7498 0.6058 0.4586 0.6431 0.7494 0.4462 0.7492 0.2833 0.2370 0.2098 0.4394 0.1060 0.0899 0.2120 0.4912 0.6373 0.1402 0.7491 0.1618 0.2822 0.2482 0.1450 0.6936 0.2617 0.2413 0.2953 0.3005 0.2885 0.3045
0.8532 0.8571 0.8566 0.8440 0.8503 0.8338 0.7311 0.7739 0.8524 0.6589 0.8083 0.8561 0.3538 0.7183 0.6892 0.5800 0.4356 0.5775 0.5289 0.8007 0.6825 0.8559 0.6966 0.8342 0.7542 0.7490 0.5174 0.7618 0.4408 0.8477 0.7572 0.4588 0.7717 0.5125 0.8509 0.7550 0.6147 0.5073 0.8259 0.7977 0.8571 0.8366 0.6918 0.6799 0.3791 0.3674 0.8037 0.6032 0.5940 0.2986 0.2641 0.4022 0.4998 0.6801 0.8564 0.1863 0.6686 0.6736 0.4030 0.2130 0.6843 0.8177 0.4703 0.8544 0.8535 0.8569 0.2695 0.4269 0.8569 0.1451 0.2295 0.4522 0.8069 0.5660 0.5958 0.6399 0.6463 0.8420 0.7706 0.3438 0.3303 0.4044 0.4785 0.7402 0.8167 0.8523 0.5269 0.6108 0.7183 0.7052 0.3557 0.8494 0.8141 0.8282 0.2616 0.8570 0.7674 0.8095 0.2809 0.3377 0.8364 0.8571 0.8556 0.6221 0.7905 0.7834 0.7972 0.6738 0.7680 0.8487 0.8254 0.4967 0.7706 0.7926 0.7349 0.8167 0.2222 0.5337 0.5511 0.8566 0.8333 0.7986 0.7742 0.8263 0.8325 0.7044 0.3319 0.4156 0.4281 0.3726 0.8400 0.4640 0.3195 0.8570 0.7545 0.6288 0.7828 0.8568 0.6171 0.8566 0.4416 0.3832 0.3469 0.6106 0.1916 0.1649 0.3499 0.6588 0.7785 0.2460 0.8566 0.2785 0.4402 0.3976 0.2533 0.8191 0.4148 0.3888 0.4560 0.4621 0.4479 0.4668
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
6 6 6 6 6 6 6 6 6 8 6 6 6 6 6 6 8 6 1 6 1 6 1 6 1 6 1 8 6 8 8 8 8 8 8 7 8 8 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 15.99491 12.00000 15.99491 15.99491 15.99491 15.99491 15.99491 15.99491 14.00307 15.99491 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
8616.3740 37159.0992 43483.6468
0.99999 0.00408 0.00314 -0.00408 0.99999 0.00023 -0.00314 -0.00025 1.00000
1
0.01005 0.00233 0.00199
0.20945 0.04857 0.04150
9.47 17.71 27.05 35.67 47.97 54.85 73.63 87.72 93.93 116.78 121.76 159.47 191.69 199.73 203.08 250.86 275.71 290.13 323.60 342.15 347.56 355.12 366.64 380.95 388.78 415.07 433.46 463.22 481.36 511.76 529.32 539.93 553.57 567.44 597.01 606.73 623.65 629.10 643.33 662.15 695.65 705.01 737.71 761.35 786.43 818.29 833.23 835.82 862.61 904.05 910.24 953.95 985.16 997.87 998.88 1009.74 1032.77 1065.78 1126.91 1145.29 1180.59 1203.37 1229.51 1247.23 1278.56 1298.16 1326.06 1337.76 1370.15 1385.91 1389.08 1405.15 1418.82 1489.70 1542.74 1593.20 1600.76 1603.78 1607.17 1609.31 1615.25 1637.50 1655.42 1679.49 1728.73 1731.12 1731.95 1761.97 1774.70 1785.38 1788.56 1802.52 1814.87 1829.35 1849.93 1880.30 1882.47 1900.09 1902.93 1910.01 1929.01 1937.72 1943.29 1963.24 1989.81 1995.29 2014.03 2024.17 2054.89 2059.32 2069.53 2085.67 2104.85 2112.59 2155.36 2166.39 2200.81 2208.74 2237.93 2250.53 2263.40 2269.64 2269.90 2281.51 2316.94 2319.36 2352.07 2355.78 2357.56 2362.87 2401.43 2415.27 2429.75 2545.64 2592.41 2597.66 2613.01 2679.65 2846.77 4581.14 4597.48 4601.63 4621.81 4625.26 4634.62 4666.61 4672.50 4708.85 4726.66 4762.83 4850.51 4851.71 4861.30 4927.57 4943.99 4944.23 5818.42 5848.53 5873.57 5899.11 5915.83 5922.22
0.472798
0.502132
0.503076
0.407117
-1685.932923
-1685.903590
-1685.902646
-1685.998604
3.218447D-04
MUNgauss
RevisionA2.0
retrievium
26-Dec-2020
DUDE c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)[N+](=O)[O-] C22065234
RHF
6-31G(d)
(6D,10F)
C1
465.127111
|X|Y|Z|
64.170669 27.831318 137.891872
62.681061
22
|36.858105|
|13.784894|36.858105|
|8.009955|13.778304|36.858105|
|6.869026|7.886292|13.772087|36.858105|
|7.957626|6.868773|8.009851|13.791663|36.858105|
|13.686160|7.884196|6.886590|7.884355|13.679341|36.858105|
|7.543632|5.010219|4.452572|5.011250|7.544642|12.595973|36.858105|
|5.653785|4.165584|3.785044|4.196067|5.729011|7.561609|12.430549|36.858105|
|4.045169|3.178032|2.924708|3.188489|4.066060|4.910823|7.496277|12.545689|36.858105|
|3.764607|2.969539|2.719040|2.938224|3.701438|4.476396|6.903375|8.055259|15.937802|73.516695|
|3.239037|2.690322|2.522404|2.722159|3.294248|3.730914|4.848907|7.357469|12.650184|14.353578|36.858105|
|2.940810|2.526317|2.444260|2.685390|3.197801|3.414656|4.140127|5.948478|7.477722|9.699157|13.663886|36.858105|
|2.468104|2.182390|2.123186|2.295943|2.634297|2.765702|3.195739|4.215978|4.982830|7.224103|7.840932|13.765066|36.858105|
|2.276739|2.018289|1.934982|2.049687|2.321582|2.482171|2.863655|3.662370|4.434789|6.767612|6.827549|7.994925|13.769017|36.858105|
|2.394641|2.089559|1.964434|2.056298|2.345265|2.581233|3.049573|3.899856|5.007812|7.835472|7.819586|6.868361|7.885314|13.732395|36.858105|
|2.819300|2.386121|2.212273|2.325341|2.721178|3.087417|3.839828|5.155013|7.571194|11.344593|13.608886|7.989096|6.883647|8.000249|13.766561|36.858105|
|2.895622|2.421691|2.198049|2.270931|2.649358|3.092091|3.891692|4.878795|7.002652|12.236808|8.227805|5.316705|4.633033|5.237115|7.942826|14.149363|73.516695|
|2.520643|2.160893|1.958185|1.990262|2.262442|2.606253|3.123659|3.678839|4.666235|8.428864|5.252288|3.979994|3.766802|4.474195|6.624836|7.901204|24.462338|36.858105|
|2.473028|2.146422|1.942048|1.955944|2.195471|2.516092|2.928940|3.486502|4.171594|7.152874|4.816136|3.828445|3.743086|4.545990|6.614794|7.012349|16.646709|17.487116|0.500000|
|2.590949|2.210055|1.971732|1.977851|2.239275|2.621273|3.130384|3.459457|4.189771|8.084770|4.167620|3.238025|2.987104|3.333720|4.380462|5.258662|14.651305|12.475125|0.244201|36.858105|
|2.890446|2.442161|2.137686|2.115234|2.390128|2.854660|3.375976|3.706610|4.274985|8.029362|4.091418|3.183613|2.892300|3.152076|4.020758|4.895113|12.895937|8.893828|0.218800|17.521203|0.500000|
|2.186190|1.916384|1.724824|1.718195|1.906573|2.183657|2.514577|2.712404|3.144968|5.979154|3.189542|2.636729|2.522057|2.842415|3.583351|3.907508|9.251542|7.624893|0.186315|12.496235|0.245945|36.858105|
|2.133711|1.889697|1.697914|1.678250|1.844241|2.104804|2.377563|2.585659|2.919541|5.376077|3.008471|2.532280|2.456683|2.788058|3.477458|3.675433|8.320748|6.775105|0.194296|8.886373|0.219769|17.558669|0.500000|
|1.930768|1.709904|1.565823|1.577101|1.746686|1.960940|2.254536|2.444741|2.878625|5.472605|3.020079|2.560818|2.514595|2.893354|3.629473|3.746670|8.325274|6.672404|0.160037|7.552231|0.153232|12.471015|0.249051|36.858105|
|1.919694|1.694472|1.558112|1.579503|1.758272|1.969264|2.286512|2.446637|2.919443|5.710078|3.009340|2.547497|2.473380|2.798337|3.461200|3.651109|8.073352|5.893477|0.134052|6.806681|0.138655|8.887806|0.175209|17.527870|0.500000|
|1.929199|1.710240|1.578579|1.601934|1.778693|1.981314|2.282872|2.558202|3.064195|5.640440|3.414189|2.917098|2.956391|3.578092|4.688084|4.498445|9.552580|8.128889|0.202011|6.606630|0.138901|7.652141|0.192458|12.499883|0.247666|36.858105|
|1.906407|1.702000|1.567898|1.580380|1.741153|1.937295|2.198736|2.480744|2.895518|5.188444|3.255569|2.826324|2.907397|3.556164|4.601319|4.264162|8.760754|7.400021|0.222865|5.932977|0.135071|6.996230|0.208728|8.879906|0.174351|17.494685|0.500000|
|2.172246|1.894153|1.746570|1.789760|2.019832|2.269151|2.687160|3.099090|3.918629|7.219723|4.531081|3.672634|3.648080|4.494232|6.523613|6.581672|14.998978|13.790810|0.260555|7.920758|0.159444|6.765010|0.162448|8.021833|0.202538|13.515899|0.257594|73.516695|
|1.712788|1.535310|1.436340|1.467574|1.620908|1.773647|2.024979|2.251222|2.674518|4.913902|3.007279|2.685570|2.799523|3.394573|4.170374|3.797609|7.356303|5.250007|0.134770|4.437847|0.100338|4.925580|0.127197|7.481273|0.190779|12.604300|0.249887|14.367365|36.858105|
|1.679412|1.513623|1.426032|1.462414|1.610784|1.746426|1.979292|2.239337|2.642997|4.711944|3.087952|2.849501|3.102149|3.930465|4.711136|3.923825|7.050367|4.766139|0.130323|3.782347|0.089473|3.933766|0.106736|5.094394|0.129756|8.080281|0.210980|12.093456|13.553025|73.516695|
|1.719816|1.546663|1.422551|1.424846|1.557953|1.730633|1.947382|2.086373|2.383254|4.468491|2.492894|2.181441|2.172486|2.479804|2.982644|2.989664|6.269249|4.631030|0.121933|5.086949|0.116929|7.933318|0.205924|13.619086|0.257608|8.013736|0.202075|9.425723|6.482994|8.177986|73.516695|
|2.126610|1.875000|1.681375|1.663320|1.833508|2.100286|2.390490|2.484378|2.803917|5.431108|2.735636|2.299063|2.177324|2.384827|2.885556|3.170394|7.191349|5.091810|0.127584|7.881696|0.192890|13.615457|0.264994|7.921951|0.200323|5.108521|0.131400|8.295131|3.852185|5.579742|11.866514|73.516695|
|2.612517|2.208852|1.982476|2.011062|2.303497|2.696865|3.309018|3.513651|4.386106|9.298099|4.100087|3.177031|2.862809|3.094054|3.921483|4.836685|12.763243|7.903371|0.158236|13.639916|0.258268|8.123575|0.161406|6.416044|0.195983|5.383337|0.126415|11.673073|4.063839|6.075009|7.967039|12.556037|73.516695|
|1.980185|1.789866|1.728785|1.819720|2.020401|2.128475|2.389121|2.928328|3.379975|5.355760|4.611954|5.306514|8.187278|14.204958|8.008355|5.261211|7.095095|3.706053|0.107101|2.862125|0.075093|2.557041|0.070685|2.662239|0.071056|3.313592|0.093376|6.910287|3.297440|7.148264|4.181824|3.849638|4.710097|73.516695|
|3.125418|2.701628|2.688738|3.063712|3.721979|3.788480|4.498649|6.296936|6.713640|8.930409|8.119739|14.131860|8.036507|5.261620|4.622496|5.279942|7.265605|3.198522|0.085509|2.760507|0.076597|2.290209|0.061123|2.212190|0.061681|2.444371|0.065811|5.274194|2.277261|4.236514|3.407107|3.649229|4.927800|7.210682|73.516695|
|5.136061|7.783538|13.089333|7.782098|5.136309|4.512476|3.322415|2.958453|2.400579|4.004391|2.136887|2.097710|1.867633|1.717155|1.731774|1.911923|3.373083|1.721384|0.047746|1.733147|0.051911|1.543809|0.042482|1.410605|0.038901|1.420848|0.039380|2.759512|1.302527|2.304915|2.303917|2.687752|3.081207|2.771579|4.063812|53.358707|
|4.681226|7.083455|8.383135|5.422674|4.097106|3.892953|2.986622|2.694136|2.227096|3.740979|1.999221|1.945582|1.750059|1.630580|1.655814|1.819325|3.241618|1.675549|0.046736|1.700704|0.051241|1.527542|0.042276|1.388551|0.038137|1.391394|0.038735|2.680410|1.271979|2.245356|2.280576|2.674082|3.002672|2.646011|3.697708|21.709125|73.516695|
|4.097159|5.423520|8.383340|7.083259|4.681919|3.893102|2.986874|2.701475|2.230335|3.723560|2.010671|2.006514|1.799730|1.645040|1.641273|1.795397|3.136761|1.601945|0.044365|1.600756|0.047449|1.433427|0.039389|1.323185|0.036585|1.338307|0.037037|2.595498|1.237402|2.198222|2.167264|2.490939|2.855705|2.672646|3.931750|21.708301|16.020170|73.516695|
|17.716037|8.966552|5.683775|4.949870|5.651120|8.905362|6.997373|5.509352|4.142912|6.996142|3.303728|2.906067|2.454072|2.310988|2.483912|2.954159|5.566943|2.750270|0.074978|2.896271|0.092074|2.420810|0.065694|2.094042|0.057570|2.069395|0.056897|4.135789|1.811257|3.130050|3.301842|4.210577|5.152963|3.564813|5.301616|5.674340|7.171858|6.052507|0.500000|
|8.888234|17.785301|8.939244|5.635524|4.955234|5.616608|4.081552|3.540265|2.820710|4.736996|2.441158|2.286674|2.010955|1.887580|1.963625|2.217741|4.042470|2.069033|0.057553|2.136999|0.066037|1.878001|0.051852|1.666758|0.045649|1.656878|0.046069|3.224458|1.484807|2.596791|2.701917|3.291276|3.760556|3.004224|4.265175|9.784337|14.172214|8.831682|0.214950|0.500000|
|4.955381|5.635865|8.937544|17.785448|8.890468|5.616416|4.082290|3.573109|2.833461|4.666378|2.483274|2.503675|2.173798|1.933329|1.915560|2.133349|3.670195|1.822479|0.049805|1.799986|0.052940|1.579965|0.042906|1.465327|0.040829|1.493232|0.040921|2.950905|1.381194|2.457064|2.366696|2.719219|3.256546|3.083946|5.130511|9.783454|8.831159|14.172884|0.107564|0.124358|0.500000|
|5.651622|4.949686|5.683073|8.967233|17.715477|8.904139|7.001078|5.637035|4.184230|6.774335|3.411173|3.398132|2.770624|2.397023|2.388811|2.762986|4.696911|2.237252|0.059839|2.187167|0.063800|1.863694|0.049796|1.730326|0.048683|1.773705|0.047941|3.600276|1.631855|2.893582|2.738447|3.171603|4.039420|3.700984|7.340870|5.673984|6.052077|7.171911|0.124117|0.107561|0.214941|0.500000|
|7.155288|4.732649|3.997945|4.209929|5.659964|8.902481|17.599077|8.852251|6.900896|12.881473|4.519467|3.703992|2.945006|2.732624|2.996631|3.807075|7.292427|3.336235|0.085715|3.496137|0.106756|2.766887|0.071930|2.428197|0.068643|2.406366|0.064048|5.019086|2.104123|3.597138|3.703912|4.744766|6.705187|4.077257|6.765448|4.185103|5.062906|4.863732|0.215072|0.112022|0.096864|0.143489|0.500000|
|5.684549|4.220190|3.999442|4.722567|7.115462|8.906880|17.575683|8.868000|6.879304|12.256101|4.576223|4.037361|3.121832|2.767334|2.905389|3.604743|6.397763|2.905381|0.074693|2.898339|0.084351|2.363047|0.061496|2.163644|0.061790|2.190720|0.058000|4.579322|1.975779|3.430482|3.330510|4.015470|5.596055|4.130065|8.082206|4.186411|4.868786|5.060241|0.144343|0.097140|0.111689|0.212523|0.304923|0.500000|
|5.065287|4.000416|3.850173|4.468754|6.121775|6.913438|8.781529|17.620269|8.897650|10.830236|6.845947|6.595831|4.565507|3.739334|3.756477|4.683758|7.397294|3.235568|0.086707|2.976476|0.087022|2.408465|0.064388|2.217505|0.061553|2.351751|0.063744|5.005977|2.112388|3.798087|3.409943|3.920059|5.327791|5.348817|14.506695|4.125073|4.815428|5.020033|0.129163|0.093682|0.108072|0.178060|0.173260|0.209786|0.500000|
|5.977108|4.398816|3.825942|4.005541|5.093151|6.865670|8.787125|17.490942|9.047673|11.365071|6.705419|5.397874|4.067656|3.663722|3.974512|5.185519|8.950379|3.884344|0.105835|3.652365|0.112780|2.850270|0.076891|2.513660|0.068577|2.633847|0.072257|5.621695|2.278648|4.039401|3.824735|4.603823|6.290657|5.244186|9.422926|4.103354|4.979217|4.807052|0.171495|0.106176|0.094063|0.130919|0.211219|0.173285|0.305309|0.500000|
|2.285512|2.058892|2.035656|2.213525|2.500561|2.556612|2.867920|3.642515|4.056707|6.059656|5.591698|8.859896|17.727339|8.940471|5.631736|4.958711|6.530100|3.117180|0.086739|2.557392|0.069167|2.213743|0.060247|2.220196|0.060804|2.576844|0.070805|5.449848|2.492841|4.935429|3.475979|3.450419|4.388858|13.316736|12.837258|2.465709|3.009142|3.137090|0.062370|0.052770|0.059078|0.073667|0.072891|0.078737|0.112644|0.097349|0.500000|
|2.183548|1.924455|1.803220|1.867287|2.101689|2.311707|2.688973|3.296078|4.090266|6.742598|5.592643|4.957107|5.631811|8.908904|17.787277|8.892880|12.649417|7.306227|0.211785|4.612248|0.113781|3.952446|0.107831|4.170327|0.107309|5.888197|0.164153|14.489217|5.207692|11.091631|6.066556|5.485779|7.078551|12.847999|6.525528|2.185617|2.751928|2.704883|0.063451|0.050796|0.048455|0.059054|0.074772|0.071264|0.087334|0.094351|0.124217|0.500000|
|1.591079|1.437721|1.345611|1.367707|1.498395|1.633998|1.842560|2.019123|2.346059|4.314669|2.582467|2.334826|2.425809|2.874156|3.407154|3.152796|6.109164|4.284422|0.113617|3.893272|0.090482|4.597225|0.122040|7.009861|0.175436|8.961303|0.212107|10.298119|17.577511|16.434774|13.244918|6.695762|6.366476|5.047013|3.588638|1.671955|2.141932|2.076047|0.046772|0.038851|0.035839|0.041764|0.053320|0.049934|0.052767|0.056970|0.060985|0.114095|0.500000|
|1.713114|1.530660|1.437292|1.477928|1.640660|1.790573|2.062407|2.274072|2.739526|5.136252|3.046351|2.716105|2.796576|3.319452|4.019914|3.772540|7.288957|4.899886|0.119345|4.268889|0.095905|4.539931|0.112030|6.711158|0.201045|8.947492|0.175669|13.350838|17.538419|16.422711|9.941533|6.593472|7.478411|5.648409|4.123484|1.769634|2.248229|2.201038|0.050122|0.040927|0.038696|0.046178|0.059548|0.056570|0.059245|0.062909|0.069258|0.132736|0.299595|0.500000|
|1.567234|1.420948|1.347342|1.385429|1.520304|1.633900|1.840691|2.064349|2.414488|4.314780|2.795775|2.638393|2.893407|3.586311|4.067438|3.424434|6.041846|3.901207|0.105990|3.227501|0.077653|3.356675|0.090763|4.273245|0.113213|5.967212|0.155457|9.335244|9.836509|35.772350|7.152139|4.951218|5.348139|6.718945|3.985189|1.674722|2.128851|2.095379|0.045368|0.038084|0.036558|0.042849|0.052021|0.050241|0.055189|0.057726|0.073386|0.140968|0.226661|0.229464|0.500000|
|1.710118|1.540822|1.412370|1.408178|1.535161|1.709218|1.914152|2.020657|2.281412|4.310503|2.336928|2.044465|2.013958|2.259103|2.682628|2.742336|5.775495|4.127832|0.108459|4.837258|0.114793|7.690832|0.197190|9.923649|0.224050|5.955729|0.153863|7.920753|4.956868|6.666257|35.664051|13.939854|7.812645|3.793920|3.232326|1.754412|2.275929|2.151373|0.051525|0.042235|0.036507|0.042006|0.057330|0.051125|0.051415|0.057895|0.050584|0.083187|0.153346|0.126122|0.093388|0.500000|
|2.203653|1.927110|1.728496|1.718570|1.908134|2.194146|2.530507|2.590888|2.955584|5.889617|2.818295|2.348726|2.194796|2.374569|2.862903|3.215237|7.358779|4.946532|0.118580|7.797367|0.187081|9.925874|0.191112|6.950799|0.202958|4.703440|0.116507|8.112361|3.670905|5.329778|9.937482|35.616702|15.359567|3.798198|3.752248|2.104121|2.722849|2.547624|0.068172|0.052543|0.043832|0.051726|0.079418|0.066946|0.063393|0.073928|0.054281|0.083566|0.097996|0.102010|0.074639|0.175754|0.500000|
|2.865147|2.378501|2.136842|2.192439|2.557903|3.026701|3.866754|4.145489|5.492099|12.543678|4.882331|3.623970|3.156368|3.339488|4.233824|5.585625|15.170779|7.566709|0.151528|9.813543|0.222183|5.972645|0.131163|5.082461|0.153655|4.715090|0.112878|10.930760|3.728086|5.800805|6.652932|9.341333|35.554895|4.955061|5.605278|2.511420|3.168712|3.039358|0.087861|0.062413|0.055204|0.070518|0.123383|0.102552|0.095964|0.113092|0.074711|0.114298|0.090156|0.108611|0.080481|0.100860|0.170188|0.500000|
|1.889185|1.709785|1.640853|1.712397|1.892619|2.008319|2.252384|2.716787|3.146426|5.100468|4.165468|4.455279|6.080447|10.044011|7.881420|5.030354|7.122430|3.916278|0.114828|2.981381|0.077201|2.717204|0.075625|2.884677|0.076046|3.708563|0.106039|7.569605|3.759519|8.608906|4.551872|4.038681|4.833112|35.713547|6.185564|2.021587|2.536477|2.539001|0.053608|0.045148|0.045256|0.053796|0.060929|0.060668|0.076047|0.076701|0.152314|0.233900|0.089090|0.098237|0.125188|0.063738|0.061726|0.078139|0.500000|
|2.793260|2.481787|2.510969|2.860245|3.363095|3.316242|3.750441|4.876660|5.037958|7.182746|6.047686|10.020044|7.933741|5.048171|4.186193|4.447601|6.225149|2.851537|0.077212|2.467922|0.068227|2.093889|0.056266|2.045000|0.056905|2.268130|0.061437|4.800940|2.148752|4.046551|3.189762|3.348974|4.381493|7.297586|35.738667|2.962148|3.520939|3.792060|0.073665|0.061717|0.076481|0.103989|0.089629|0.105997|0.170624|0.119714|0.234598|0.094457|0.053235|0.060672|0.060089|0.047242|0.053542|0.076506|0.096115|0.500000|
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