Version2.1
2021-01-18T20:04:03Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
24-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE COCCN1C(=O)[C@@H]2[C@H](N[C@]3([C@@H]2C1=O)c4cc(ccc4NC3=O)Cl)Cc5ccc(cc5)O C16022178
RHF
6-31G(d)
(6D,7F)
COCCN1C(=O)[C@@H]2[C@H](N[C@]3([C@@H]2C1=O)c4cc(ccc4NC3=O)Cl)Cc5ccc(cc5)O
C01[X(C23H22Cl1N3O5)]
156
C1
528
COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@@H]2Cc2ccc(cc2)O)C(=O)Nc2c1cc(Cl)cc2
COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@@H]2Cc2ccc(cc2)O)C(=O)Nc2c1cc(Cl)cc2
COCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]4([C@@H]2C1=O)C(=O)Nc5ccc(Cl)cc45
InChIKey=WUTDGAAKTSBXDV-GBPOLFSSSA-N
InChI=1S/C23H22ClN3O5/c1-32-9-8-27-20(29)18-17(10-12-2-5-14(28)6-3-12)26-23(19(18)21(27)30)15-11-13(24)4-7-16(15)25-22(23)31/h2-7,11,17-19,26,28H,8-10H2,1H3,(H,25,31)/t17-,18-,19+,23+/m1/s1
InChI=1/C23H22ClN3O5/c1-32-9-8-27-20(29)18-17(10-12-2-5-14(28)6-3-12)26-23(19(18)21(27)30)15-11-13(24)4-7-16(15)25-22(23)31/h2-7,11,17-19,26,28H,8-10H2,1H3,(H,25,31)/t17-,18-,19+,23+/m1/s1/f/h25H
COCCN1C(=O)[C@@H]2[C@H](N[C@]3([C@@H]2C1=O)c4cc(ccc4NC3=O)Cl)Cc5ccc(cc5)O
C01[X(C23H22Cl1N3O5)]
156
C01
528
COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@@H]2Cc2ccc(cc2)O)C(=O)Nc2c1cc(Cl)cc2
COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@@H]2C[C]2[CH][CH][C]([CH][CH]2)O)C(=O)N[C]2[C]1[CH][C]([CH][CH]2)Cl
COCCN1C(=O)[C@@H]2[C@@H](C[C]3[CH][CH][C](O)[CH][CH]3)N[C@@]4([C]5[CH][C](Cl)[CH][CH][C]5NC4=O)[C@@H]2C1=O
InChIKey=WUTDGAAKTSBXDV-GBPOLFSSSA-N
InChI=1S/C23H22ClN3O5/c1-32-9-8-27-20(29)18-17(10-12-2-5-14(28)6-3-12)26-23(19(18)21(27)30)15-11-13(24)4-7-16(15)25-22(23)31/h2-7,11,17-19,26,28H,8-10H2,1H3,(H,25,31)/t17-,18-,19+,23+/m1/s1
InChI=1/C23H22ClN3O5/c1-32-9-8-27-20(29)18-17(10-12-2-5-14(28)6-3-12)26-23(19(18)21(27)30)15-11-13(24)4-7-16(15)25-22(23)31/h2-7,11,17-19,26,28H,8-10H2,1H3,(H,25,31)/t17-,18-,19+,23+/m1/s1/f/h25H
3458.8004334470
-1880.975904
1-A
15648.1726
119
409
528
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11.17726
-0.9126 -2.0008 1.6723
2.7628
|XX|YY|ZZ|XY|XZ|YZ|
-197.5526 -195.5485 -179.5503 14.1112 5.8483 -6.4091
|XX|YY|ZZ|XY|XZ|YZ|
-6.6688 -4.6647 11.3335 14.1112 5.8483 -6.4091
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-63.6612 92.2431 34.6072 26.7176 -67.9393 23.2318 61.7528 -15.8850 73.1424 -20.0353
|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|
12.2377 21.9161 31.4438 36.0603 39.3370 49.8878 63.2195 66.4699 83.7477 98.3559 110.0870 123.6670 131.3320 154.5347 175.4669 178.1388 192.3148 216.4491 230.5585 249.2568 275.9132 290.2289 312.3360 315.6838 326.6798 347.1455 348.8514 372.8233 384.7579 389.1572 406.5696 432.9804 439.1867 461.2735 465.4717 478.7231 500.8893 527.6836 535.4744 549.1862 571.8872 601.7097 602.3732 625.4661 643.4441 664.1864 700.1708 705.0321 721.5375 752.7194 766.4318 789.9041 796.3941 823.7892 832.0927 835.8100 848.2562 864.3079 892.9721 917.1479 917.8607 922.2674 931.4084 935.9706 945.3435 963.0621 980.0216 1028.2578 1048.6873 1056.5861 1066.8980 1075.5435 1085.2797 1096.3624 1103.0999 1111.5379 1135.2729 1145.9930 1161.7983 1173.5400 1190.0808 1195.1689 1198.1844 1221.1308 1239.7692 1243.3680 1247.8382 1264.1091 1278.4248 1290.8475 1297.4401 1300.9173 1313.6169 1320.7727 1322.9832 1334.1083 1360.7420 1377.0570 1380.6974 1383.7110 1393.8907 1406.0774 1407.2739 1413.4588 1430.1836 1440.8330 1452.7226 1479.2088 1486.3085 1508.8348 1517.7868 1534.7710 1544.3836 1554.9680 1566.7285 1586.4332 1597.9366 1604.3059 1606.1709 1622.1385 1632.8612 1636.9465 1645.4511 1653.3342 1654.2736 1678.5184 1696.8734 1791.8424 1796.5922 1824.7354 1825.3297 1978.9967 2001.7150 2051.6778 3167.1449 3181.3148 3212.8947 3234.4015 3235.4125 3243.1280 3255.6004 3261.0468 3275.1172 3292.9518 3307.4638 3338.4925 3341.6306 3356.9356 3369.6867 3381.0693 3393.6997 3400.2545 3404.5974 3783.5835 3889.1766 4117.3951
5.8765 7.0798 4.9534 4.7117 6.2719 4.3493 7.4065 5.0477 5.3244 5.4112 2.5456 6.1273 5.5266 7.1923 7.6160 5.9699 4.8058 4.4751 1.8900 4.5471 4.6215 5.6475 4.4605 1.2144 3.7969 2.5155 2.6010 4.5668 10.5403 4.9825 4.7123 5.5138 5.4427 3.1573 3.0422 1.7301 2.4915 3.0832 5.3057 3.0990 2.9482 3.1134 7.6270 2.9903 4.2831 6.4402 4.6296 6.6815 5.2440 5.4230 5.9608 4.6697 3.4619 4.2037 4.2430 6.9220 4.2834 4.2127 4.4317 2.1020 3.1519 1.7669 1.4551 2.5310 1.6960 3.5986 2.4660 1.4567 2.1899 2.8853 1.4444 1.3768 2.5319 1.3522 3.1546 2.7132 2.5488 2.7926 2.5005 2.6500 3.3247 1.9120 3.8075 2.7488 2.1147 2.1802 2.1741 4.7690 3.2837 2.0940 1.1565 1.4616 2.3666 1.8947 1.7124 1.9196 2.0441 1.7320 1.5596 1.7227 1.4207 2.6832 2.0574 1.2823 1.5502 2.1547 2.1230 1.4316 1.3409 1.6786 1.5935 1.4631 1.9642 1.5741 3.5153 1.5477 1.8464 2.7597 2.2803 1.1486 1.1044 1.1903 1.0498 1.3147 1.9126 1.1054 2.6701 5.7276 6.7381 5.6410 6.6288 12.5524 10.8413 12.1172 1.0605 1.0500 1.0611 1.0963 1.0884 1.0961 1.0913 1.0986 1.0637 1.0871 1.1005 1.1058 1.0900 1.0907 1.0945 1.0915 1.0949 1.0935 1.0956 1.0761 1.0804 1.0668
0.0005 0.0020 0.0029 0.0036 0.0057 0.0064 0.0174 0.0131 0.0220 0.0308 0.0182 0.0552 0.0562 0.1012 0.1382 0.1116 0.1047 0.1235 0.0592 0.1664 0.2073 0.2803 0.2564 0.0713 0.2387 0.1786 0.1865 0.3740 0.9193 0.4446 0.4589 0.6090 0.6185 0.3958 0.3884 0.2336 0.3683 0.5058 0.8963 0.5507 0.5681 0.6641 1.6305 0.6892 1.0448 1.6739 1.3372 1.9568 1.6085 1.8103 2.0630 1.7167 1.2937 1.6808 1.7309 2.8490 1.8159 1.8542 2.0821 1.0418 1.5645 0.8855 0.7437 1.3064 0.8930 1.9665 1.3955 0.9075 1.4190 1.8978 0.9687 0.9384 1.7570 0.9576 2.2616 1.9751 1.9355 2.1608 1.9885 2.1503 2.7743 1.6091 3.2206 2.4150 1.9151 1.9859 1.9946 4.4900 3.1620 2.0558 1.1471 1.4574 2.4061 1.9474 1.7659 2.0130 2.2300 1.9350 1.7517 1.9434 1.6263 3.1256 2.4006 1.5094 1.8682 2.6355 2.6398 1.8455 1.7453 2.2516 2.1628 2.0305 2.7602 2.2424 5.0839 2.2950 2.7778 4.1849 3.4660 1.7808 1.7349 1.8792 1.6747 2.1173 3.0837 1.8350 4.5298 10.8349 12.8141 11.0663 13.0126 28.9646 25.5939 30.0518 6.2677 6.2608 6.4534 6.7574 6.7125 6.7923 6.8148 6.8836 6.7225 6.9455 7.0929 7.2613 7.1712 7.2418 7.3225 7.3513 7.4297 7.4488 7.4821 9.0764 9.6284 10.6553
0.0618 0.1838 0.7583 0.6764 0.3140 0.5384 1.6688 2.1184 0.2835 3.1411 8.7327 0.6754 2.2123 4.3144 0.3406 0.4952 0.4472 2.5929 2.8739 7.5663 4.8670 15.2289 7.2389 102.6894 31.8187 4.7086 5.5651 13.5409 2.1964 0.5743 8.3940 16.7188 12.6785 8.6560 1.6362 53.0314 23.8505 39.8017 5.2020 52.5038 18.3465 13.0800 20.6376 3.0514 10.7309 0.3074 22.8174 0.6199 24.0100 11.2136 39.7907 3.3329 20.5722 11.2444 6.9298 14.3833 35.7583 24.7310 16.6676 23.9272 12.8834 5.7397 46.8251 1.3930 37.3922 4.2019 1.3929 7.1610 8.5299 1.7187 0.1648 0.0679 3.6122 0.1903 34.9884 1.2449 0.7959 26.5947 14.9922 14.8386 5.6635 20.0209 3.8573 31.9972 44.7197 53.6390 21.0431 75.0442 60.0974 76.3025 20.1587 34.1560 130.8299 40.8736 52.2299 89.7895 8.8944 35.6489 22.6302 21.3208 18.2993 86.3539 86.5506 17.5095 39.3641 2.9987 135.0028 29.2064 13.8912 128.6338 6.2022 98.3391 10.1143 1.5755 283.0972 68.7706 98.4775 51.8977 16.3289 43.1446 3.4194 1.5680 6.1485 60.3214 116.9599 1.9555 123.6245 21.1308 4.2549 62.4336 71.1410 681.2799 649.1269 67.4308 39.5170 131.7193 24.8088 21.0031 5.4213 81.1181 13.1349 21.8263 34.5756 6.4661 43.8220 4.8961 25.0034 11.3721 15.4254 7.6138 8.5877 0.9515 5.0269 6.5049 86.6519 90.2848
0.5585 2.7892 4.8684 5.3682 3.0965 1.1873 1.7354 0.4399 1.0828 0.4703 0.3596 0.6129 0.8859 1.3926 0.5000 1.4929 0.7942 2.2236 0.9733 1.0032 0.5055 1.9015 1.8438 1.3106 1.8341 0.2575 0.7237 2.5081 8.8925 1.5180 1.9635 0.2192 2.7874 0.0842 0.0374 0.8038 0.2346 1.1819 2.9595 1.9846 1.4151 1.5158 2.5791 1.6599 0.4554 3.2553 2.1443 5.4790 3.5102 13.0928 1.7478 2.3858 1.9588 4.2166 4.6696 1.7385 1.0723 2.1909 3.5196 5.7105 20.5024 11.6522 0.9896 5.0987 2.8208 6.0450 8.9123 0.9867 2.2335 3.0406 2.1538 1.3224 3.5560 0.3320 2.5784 0.2060 0.5951 5.1477 2.4557 9.4643 0.9253 1.4145 1.1277 4.4279 2.5675 1.0268 8.3446 3.4134 11.6123 8.9293 3.4400 4.8931 2.0631 18.0784 2.6318 1.9063 25.4790 3.6091 1.6130 2.7848 3.9359 2.5527 7.0966 7.2285 1.7563 8.3804 5.1285 15.1923 3.1456 6.6661 6.3057 2.3267 17.0813 11.8511 3.5485 2.8024 0.9991 2.6891 3.3088 10.1754 10.9404 8.3504 20.6629 11.2751 5.4867 11.0741 0.6063 5.8391 15.4332 48.7128 30.1145 0.6122 16.6458 18.2100 35.2839 231.1072 62.7222 22.3196 37.5352 55.0690 52.3816 27.9646 98.8724 56.7621 60.0498 42.2902 71.7268 50.3425 72.9621 74.2764 132.8312 35.9093 164.2497 62.9304 94.5399 96.6851
0.7479 0.7475 0.7405 0.7437 0.7488 0.7484 0.7371 0.6857 0.6055 0.7086 0.7487 0.6537 0.7444 0.3106 0.7496 0.7452 0.5940 0.4682 0.5410 0.5525 0.6787 0.3079 0.2212 0.7359 0.7009 0.5588 0.2360 0.2759 0.3130 0.6333 0.7421 0.6008 0.7242 0.7357 0.6570 0.6587 0.3724 0.6514 0.7332 0.4680 0.4595 0.0578 0.7348 0.3316 0.6818 0.1801 0.4582 0.7450 0.1871 0.0586 0.7441 0.7247 0.6071 0.2604 0.2364 0.1107 0.2240 0.2929 0.1527 0.3041 0.0554 0.1539 0.7425 0.7385 0.7137 0.3568 0.0912 0.6630 0.7419 0.2383 0.4755 0.6433 0.2740 0.6545 0.2555 0.7466 0.6815 0.5559 0.6398 0.1297 0.3724 0.5738 0.5136 0.4482 0.1390 0.2358 0.7301 0.5385 0.6687 0.6019 0.4294 0.7500 0.6982 0.1433 0.6124 0.6782 0.1195 0.7500 0.3265 0.7438 0.2908 0.1576 0.1226 0.7265 0.5470 0.2477 0.6307 0.5877 0.7070 0.6790 0.4741 0.7475 0.2596 0.7424 0.5797 0.4422 0.3414 0.2263 0.3604 0.7498 0.7424 0.6482 0.7053 0.6063 0.2369 0.7498 0.6209 0.7500 0.5853 0.4738 0.7221 0.7495 0.3052 0.3996 0.4756 0.1693 0.0588 0.5325 0.4060 0.6165 0.2609 0.7473 0.1262 0.1768 0.5745 0.7196 0.4522 0.5052 0.1600 0.5031 0.2309 0.3143 0.2124 0.2797 0.2146 0.2919
0.8558 0.8555 0.8509 0.8530 0.8563 0.8561 0.8487 0.8135 0.7543 0.8295 0.8563 0.7906 0.8535 0.4740 0.8569 0.8540 0.7453 0.6378 0.7022 0.7117 0.8086 0.4708 0.3623 0.8479 0.8242 0.7169 0.3818 0.4325 0.4768 0.7755 0.8519 0.7506 0.8400 0.8477 0.7930 0.7942 0.5427 0.7889 0.8461 0.6376 0.6297 0.1094 0.8471 0.4981 0.8108 0.3053 0.6284 0.8539 0.3152 0.1108 0.8533 0.8403 0.7555 0.4132 0.3824 0.1994 0.3660 0.4531 0.2649 0.4663 0.1050 0.2668 0.8522 0.8496 0.8329 0.5259 0.1671 0.7973 0.8518 0.3848 0.6446 0.7829 0.4301 0.7912 0.4070 0.8549 0.8106 0.7146 0.7803 0.2297 0.5427 0.7292 0.6787 0.6190 0.2441 0.3816 0.8440 0.7001 0.8015 0.7515 0.6008 0.8571 0.8223 0.2507 0.7596 0.8082 0.2134 0.8571 0.4923 0.8531 0.4506 0.2722 0.2184 0.8416 0.7072 0.3971 0.7736 0.7403 0.8283 0.8088 0.6433 0.8555 0.4122 0.8522 0.7340 0.6132 0.5090 0.3691 0.5298 0.8570 0.8522 0.7866 0.8272 0.7549 0.3830 0.8570 0.7661 0.8571 0.7384 0.6429 0.8386 0.8568 0.4677 0.5710 0.6446 0.2895 0.1110 0.6950 0.5775 0.7628 0.4139 0.8554 0.2241 0.3005 0.7297 0.8369 0.6228 0.6713 0.2758 0.6694 0.3752 0.4783 0.3504 0.4372 0.3534 0.4519
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
6 8 6 6 7 6 8 6 1 6 1 7 6 6 1 6 8 6 6 6 6 6 6 7 6 8 17 6 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
12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 34.96885 12.00000 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
14772.8634 16652.8619 26021.3457
0.99474 0.10213 0.00837 -0.10213 0.99477 0.00058 -0.00827 -0.00143 0.99996
1
0.00586 0.00520 0.00333
0.12217 0.10837 0.06936
17.61 31.53 45.24 51.88 56.60 71.78 90.96 95.64 120.49 141.51 158.39 177.93 188.96 222.34 252.46 256.30 276.70 311.42 331.72 358.62 396.98 417.57 449.38 454.20 470.02 499.46 501.92 536.41 553.58 559.91 584.96 622.96 631.89 663.67 669.71 688.78 720.67 759.22 770.43 790.16 822.82 865.73 866.68 899.91 925.77 955.62 1007.39 1014.38 1038.13 1083.00 1102.72 1136.50 1145.83 1185.25 1197.20 1202.54 1220.45 1243.55 1284.79 1319.57 1320.60 1326.94 1340.09 1346.65 1360.14 1385.63 1410.03 1479.43 1508.83 1520.19 1535.03 1547.47 1561.48 1577.42 1587.11 1599.26 1633.40 1648.83 1671.57 1688.46 1712.26 1719.58 1723.92 1756.93 1783.75 1788.93 1795.36 1818.77 1839.37 1857.24 1866.73 1871.73 1890.00 1900.30 1903.48 1919.48 1957.80 1981.28 1986.52 1990.85 2005.50 2023.03 2024.75 2033.65 2057.72 2073.04 2090.14 2128.25 2138.47 2170.88 2183.76 2208.19 2222.02 2237.25 2254.17 2282.52 2299.07 2308.24 2310.92 2333.90 2349.32 2355.20 2367.44 2378.78 2380.13 2415.01 2441.42 2578.06 2584.90 2625.39 2626.24 2847.33 2880.02 2951.91 4556.82 4577.20 4622.64 4653.58 4655.04 4666.14 4684.08 4691.92 4712.16 4737.82 4758.70 4803.35 4807.86 4829.88 4848.23 4864.60 4882.78 4892.21 4898.46 5443.73 5595.66 5924.01
0.459036
0.485489
0.486434
0.398691
-1880.516868
-1880.490415
-1880.489470
-1880.577213
2.942915D-04
MUNgauss
RevisionA2.0
retrievium
18-Jan-2021
DUDE COCCN1C(=O)[C@@H]2[C@H](N[C@]3([C@@H]2C1=O)c4cc(ccc4NC3=O)Cl)Cc5ccc(cc5)O C16022178
RHF
6-31G(d)
(6D,10F)
C1
455.124799
|X|Y|Z|
80.480787 86.863828 40.319947
65.566758
23
|36.858105|
|13.676139|73.516695|
|8.145458|24.365781|36.858105|
|5.227382|14.317119|12.549949|36.858105|
|4.582043|11.439135|7.686334|13.085950|53.358707|
|3.910624|8.665868|5.901774|7.677057|18.832855|36.858105|
|3.706652|7.834365|5.691988|6.697316|11.388765|15.987564|73.516695|
|3.298756|6.942028|4.222532|5.080597|11.039812|12.582490|13.980569|36.858105|
|2.817361|5.848206|3.601612|4.393609|8.601480|9.009525|12.228524|17.579613|0.500000|
|3.171896|6.242070|3.659700|3.943576|7.375603|7.387641|10.810878|12.363514|0.243274|36.858105|
|3.622204|6.955021|4.083139|4.140405|7.448475|7.343760|11.509502|8.824560|0.177451|17.564688|0.500000|
|3.001415|5.840534|3.229602|3.455992|6.278787|5.308871|7.697642|8.190860|0.180756|13.025969|0.249911|53.358707|
|3.408252|6.876435|3.631418|3.961491|7.435398|5.507358|7.513842|7.763836|0.163663|8.011200|0.189819|17.872755|36.858105|
|3.437356|7.421029|4.162069|5.070350|11.053886|7.914287|9.488361|12.445922|0.242368|7.744692|0.176029|11.160918|12.244560|36.858105|
|2.939980|6.249457|3.512218|4.318890|8.449717|5.992466|7.859823|8.687648|0.223808|5.970243|0.134660|9.063096|8.812358|17.626706|0.500000|
|4.206175|10.092937|5.588273|7.615740|18.817414|8.260296|9.848203|7.867192|0.169636|5.389915|0.142457|7.129438|7.269602|12.526725|0.249714|36.858105|
|4.191137|10.118440|5.118021|6.574717|11.340608|5.535187|7.494903|5.326291|0.125517|4.129178|0.111164|5.788394|5.914598|7.872604|0.194818|16.037543|73.516695|
|2.911544|5.741764|2.966706|3.212846|5.544025|3.929949|5.691307|5.040095|0.121608|5.089068|0.124969|10.431739|12.594842|7.344918|0.200904|5.405015|9.145361|36.858105|
|2.422149|4.747138|2.515270|2.760444|4.633113|3.350526|4.989742|4.289475|0.112120|4.254963|0.102082|8.129300|7.274183|5.715894|0.180729|4.315024|7.430447|13.869899|36.858105|
|2.192252|4.225084|2.213355|2.389515|3.837761|2.727726|4.175344|3.283572|0.086977|3.269752|0.081769|5.784024|4.967607|4.144770|0.127687|3.474198|6.290273|8.034086|13.706461|36.858105|
|2.270366|4.310565|2.202648|2.325693|3.646537|2.537985|3.917001|2.936526|0.076166|2.948581|0.076445|5.083686|4.482985|3.681248|0.107713|3.283821|6.153126|6.911586|7.888271|13.795167|36.858105|
|2.659329|5.012991|2.486523|2.575349|4.038981|2.761581|4.228560|3.142791|0.078835|3.186162|0.084765|5.518451|5.170991|4.013927|0.111131|3.685858|7.003492|7.888969|6.783149|7.916267|13.694568|36.858105|
|3.103045|5.959617|2.939173|3.058965|5.003946|3.415455|5.081032|3.995341|0.096237|4.082280|0.108201|7.472570|8.046948|5.408988|0.141727|4.753645|8.720998|13.714836|7.943796|6.965377|8.036759|13.842131|36.858105|
|3.916651|7.384690|3.477155|3.461344|5.618815|3.769958|5.606514|4.192771|0.096840|4.370981|0.123770|7.511943|8.092639|5.460258|0.130230|5.196982|9.370849|8.386287|5.337480|4.630660|5.130810|7.617636|13.655374|53.358707|
|4.367141|8.528811|4.147295|4.154717|7.258958|5.008839|7.147186|5.699409|0.121983|6.106728|0.178711|10.327356|12.288000|7.398422|0.155318|6.653257|10.497378|8.040774|5.108503|4.089082|4.120221|5.259330|8.331373|19.062350|36.858105|
|5.480150|10.302141|4.956819|4.583966|7.725513|5.436895|8.024703|5.530556|0.117042|6.081311|0.205187|8.559749|7.777538|6.128239|0.128690|6.136985|9.406893|5.391071|3.910300|3.257777|3.287842|4.032399|5.544950|11.372683|15.957389|73.516695|
|1.836830|3.519613|1.881361|2.037929|3.200641|2.309546|3.621851|2.732883|0.075345|2.704169|0.067613|4.505691|3.574943|3.237375|0.101493|2.779878|5.003692|4.787959|7.028639|10.914560|7.037772|4.752743|4.251971|4.426865|3.009163|4.511439|448.794386|
|2.595686|4.980487|2.973575|3.179606|5.480216|5.367446|9.072876|7.415756|0.203941|12.454300|0.246983|10.466309|5.115651|5.093272|0.125392|3.890455|5.631096|3.895056|3.568999|2.852251|2.546147|2.656107|3.208581|4.500478|4.155840|7.411963|19.992852|36.858105|
|2.399349|4.436656|2.587732|2.654058|4.346272|3.939939|6.863148|4.855291|0.129518|7.490398|0.191340|8.485614|4.270151|3.884407|0.097451|3.134996|4.745692|3.478336|3.214559|2.663466|2.421429|2.528862|2.988352|4.209645|3.735870|6.732603|18.858913|12.578674|36.858105|
|2.446954|4.405724|2.581913|2.557010|4.040250|3.612428|6.591795|4.049148|0.105618|5.753473|0.172788|6.470296|3.602196|3.306572|0.082060|2.834075|4.350114|2.969389|2.703630|2.309274|2.159703|2.289530|2.673014|3.886525|3.416138|6.477052|16.400495|7.523852|13.659001|36.858105|
|2.205770|3.891828|2.242990|2.192140|3.374060|2.887673|5.239869|3.171017|0.083486|4.190219|0.124522|5.194128|3.036346|2.741809|0.069377|2.403361|3.789552|2.626620|2.426025|2.130066|2.018253|2.131192|2.428390|3.508504|2.958721|5.556394|15.323583|5.000529|7.863125|13.808086|36.858105|
|1.991784|3.529607|2.006340|1.984562|3.059717|2.563702|4.544216|2.884536|0.077057|3.731632|0.105419|4.973962|2.908812|2.579652|0.066668|2.234986|3.571447|2.615904|2.474639|2.198236|2.071791|2.154275|2.413862|3.394785|2.780793|5.039367|16.023088|4.415074|6.802545|7.957193|13.716134|36.858105|
|1.963557|3.540287|2.005866|2.025197|3.179896|2.667399|4.620849|3.129683|0.084800|4.093848|0.109064|5.724353|3.222531|2.821363|0.074009|2.369201|3.773898|2.940011|2.844606|2.494639|2.297681|2.348191|2.635774|3.600130|2.941354|5.150493|18.276922|4.994582|7.870366|6.907665|7.947397|13.772107|36.858105|
|2.131001|3.919582|2.241026|2.305884|3.724751|3.213218|5.482307|3.971349|0.108482|5.524682|0.137668|7.598367|3.927863|3.452573|0.090105|2.781936|4.330628|3.446008|3.321246|2.794162|2.511256|2.564195|2.957150|4.013908|3.392761|5.866614|20.164320|7.526538|13.743135|8.009072|6.897637|7.943881|13.723208|36.858105|
|1.813556|3.177411|1.794644|1.760856|2.664082|2.185087|3.887072|2.403400|0.064406|2.971207|0.084577|4.024360|2.465168|2.200714|0.057406|1.949698|3.167110|2.276234|2.171578|1.977256|1.889757|1.959310|2.148875|3.016633|2.406895|4.364121|14.602054|3.362046|4.588071|5.277708|8.125387|14.084509|7.932926|5.212956|73.516695|
|17.543435|16.490573|7.207745|4.817825|6.142050|4.106055|7.051216|3.483700|0.081628|3.492728|0.115360|4.414612|3.572470|3.505553|0.082000|4.078173|6.881916|2.973780|2.457687|2.201888|2.263639|2.649272|3.133203|5.456375|4.659241|11.208856|14.789175|2.843658|2.661314|2.767988|2.484253|2.206832|2.149347|2.329050|3.552484|0.500000|
|17.622072|16.915139|5.873217|4.368375|5.474838|3.436466|5.673615|3.045510|0.072718|2.964934|0.092378|3.970541|3.376585|3.289571|0.079247|3.958324|7.320786|2.985639|2.470563|2.271322|2.403014|2.869906|3.307187|5.796076|4.453692|9.518600|15.146337|2.432527|2.278208|2.305169|2.107397|1.932148|1.914170|2.061271|3.150189|0.300161|0.500000|
|17.492342|16.462246|7.231773|4.685210|5.339292|3.423874|5.978568|2.876689|0.069991|2.758443|0.086399|3.524783|2.870880|2.938150|0.071462|3.537444|6.302349|2.502507|2.135049|1.954250|2.018410|2.321188|2.641702|4.363668|3.499101|7.475304|13.391786|2.331115|2.169750|2.233165|2.033840|1.836840|1.799064|1.935376|3.001827|0.298813|0.299886|0.500000|
|7.484070|16.524853|17.536728|8.875584|9.695261|6.462720|12.037853|4.490992|0.104909|4.058729|0.131889|4.670872|3.700456|4.136838|0.095335|5.102847|7.868493|2.945565|2.492354|2.174674|2.149433|2.420445|2.882755|4.671539|4.229596|9.446923|14.866673|3.298308|2.876188|2.930075|2.510583|2.199912|2.173458|2.433502|3.472065|0.222014|0.149259|0.183879|0.500000|
|7.036148|16.554046|17.470085|8.927546|7.643661|4.628133|8.378831|3.469701|0.085509|3.060669|0.093437|3.717056|3.010119|3.401610|0.082774|4.364124|7.423307|2.547337|2.210960|1.979337|1.976917|2.206135|2.540447|4.000856|3.367733|6.938362|13.740751|2.591469|2.292751|2.310115|2.038364|1.829941|1.818547|2.006841|2.943079|0.167391|0.145313|0.207586|0.300965|0.500000|
|4.272203|10.290149|8.901802|17.615322|12.590851|7.206563|12.847420|4.711733|0.119796|3.667420|0.105655|4.273299|3.438196|4.381316|0.107708|5.819631|8.956292|2.833840|2.505572|2.180896|2.101424|2.282446|2.662662|3.999088|3.475758|6.746224|15.264560|3.099826|2.574465|2.492577|2.133979|1.924741|1.958070|2.227586|3.040684|0.112731|0.100208|0.112174|0.209264|0.221560|0.500000|
|4.869051|13.330641|8.900756|17.648066|12.620188|5.747309|8.819170|4.357417|0.107764|3.432543|0.097718|4.300888|3.723866|4.716749|0.117023|7.364271|13.372468|3.165599|2.749017|2.419121|2.375464|2.625906|3.065232|4.639240|3.897886|7.307853|16.592265|2.809042|2.381938|2.278329|1.985557|1.825620|1.874294|2.117326|2.905068|0.118695|0.119075|0.123034|0.174428|0.209003|0.300051|0.500000|
|2.896711|5.440561|2.961590|3.054229|5.266511|4.349324|6.655318|5.879179|0.137052|9.203831|0.220763|25.900873|9.237889|5.871359|0.139301|4.282471|6.496083|6.799581|5.410172|4.091308|3.705636|4.070612|5.387616|7.509190|7.110389|10.803404|25.708752|6.765792|6.641513|5.163415|4.279099|4.189140|4.869296|6.313706|5.947731|0.088181|0.079179|0.069645|0.088090|0.070470|0.077407|0.078060|0.500000|
|2.273019|4.475167|2.434361|2.713071|4.592355|3.432044|5.135590|4.555816|0.125300|4.457845|0.102845|8.278396|6.531033|5.741876|0.193955|4.152825|6.898319|8.913234|17.743768|8.879926|5.625512|4.907352|5.638710|5.882634|4.436981|6.341457|53.632427|3.895513|3.421336|2.799200|2.484340|2.543682|2.978942|3.569601|3.929986|0.064357|0.063393|0.056192|0.067510|0.059711|0.069672|0.074343|0.147199|0.500000|
|2.060998|3.873267|1.985241|2.082451|3.195095|2.226021|3.489565|2.523425|0.066284|2.531168|0.066282|4.214909|3.579806|3.063096|0.089590|2.807564|5.296834|4.974598|5.633890|8.954614|17.748391|8.907547|5.689777|5.613090|3.383772|4.994049|53.984794|2.236774|2.151350|1.942184|1.837720|1.895970|2.087794|2.243048|3.116699|0.056828|0.060793|0.051517|0.053712|0.050122|0.052728|0.059384|0.086082|0.124093|0.500000|
|2.653289|4.893455|2.390917|2.425162|3.694743|2.508554|3.902349|2.764755|0.069487|2.809843|0.076524|4.670354|4.223891|3.415425|0.093137|3.280924|6.330240|5.611482|4.906209|5.635658|8.879192|17.730424|8.879194|9.183795|4.616633|6.642215|31.517460|2.373450|2.289911|2.117761|1.996343|2.012519|2.157150|2.312047|3.298697|0.072852|0.081237|0.064673|0.064377|0.059543|0.059733|0.069085|0.097068|0.106767|0.214284|0.500000|
|4.177194|7.508389|3.411753|3.270578|5.042784|3.349702|5.125140|3.552767|0.083585|3.693155|0.107577|5.958598|5.755539|4.376853|0.106521|4.442821|8.285920|5.900707|4.260081|3.932244|4.528793|6.675938|8.923875|26.054849|9.209126|13.027415|23.228180|2.898413|2.765362|2.624973|2.413977|2.329691|2.424162|2.639361|3.742776|0.117321|0.132883|0.094512|0.092842|0.081303|0.077204|0.090325|0.124219|0.098701|0.106353|0.189361|0.500000|
|2.589213|4.980416|3.073428|3.292154|5.542777|5.684973|10.587998|6.865912|0.198110|8.944669|0.214886|7.652161|4.265029|4.540212|0.112257|3.712668|5.371790|3.313187|3.049599|2.501596|2.264390|2.365816|2.814062|4.003629|3.657835|6.765991|17.812050|17.541487|8.896122|7.036449|4.697668|3.972796|4.225925|5.709760|5.538613|0.078851|0.066302|0.065448|0.096272|0.075099|0.091802|0.079392|0.139571|0.091593|0.055924|0.059562|0.073083|0.500000|
|2.352046|4.555427|2.703230|2.962888|5.091243|4.784845|7.891360|6.874994|0.217311|8.908530|0.174672|9.649345|4.894152|5.026736|0.132705|3.736465|5.486448|3.936917|3.803783|3.008330|2.610981|2.650941|3.152147|4.244479|3.781582|6.465691|21.558537|17.549891|8.895581|5.623022|4.192578|3.969197|4.732380|7.187130|5.518669|0.070129|0.061878|0.059063|0.081071|0.066162|0.080767|0.074299|0.167994|0.121025|0.063760|0.065138|0.075581|0.302375|0.500000|
|2.646794|4.754590|2.847140|2.780348|4.344794|3.970069|7.577517|4.198994|0.108071|5.738082|0.186322|6.016809|3.505345|3.333311|0.081465|2.942582|4.478094|2.834906|2.548892|2.182071|2.057624|2.200896|2.579144|3.825492|3.413547|6.720730|15.452289|6.986269|8.901210|17.695635|8.983548|5.663319|4.968367|5.673193|7.587698|0.084266|0.067986|0.067378|0.092065|0.070711|0.075928|0.067627|0.127657|0.072851|0.051481|0.056922|0.072396|0.208385|0.142187|0.500000|
|2.172793|3.774684|2.178830|2.094771|3.156050|2.665807|4.915390|2.826263|0.074248|3.580866|0.109012|4.428081|2.700523|2.470171|0.062513|2.224544|3.540989|2.355593|2.170163|1.932047|1.853980|1.967539|2.220926|3.244045|2.705692|5.170495|13.951726|4.075031|5.603553|8.886597|17.735530|8.950175|5.662463|4.966291|13.285714|0.068327|0.057522|0.056234|0.068048|0.055577|0.056862|0.052721|0.099697|0.061188|0.047253|0.051811|0.063021|0.111036|0.096416|0.215363|0.500000|
|1.805184|3.254371|1.830790|1.855169|2.890836|2.378573|4.092885|2.780167|0.076061|3.482339|0.091857|5.050342|2.947562|2.580259|0.068946|2.180387|3.523399|2.796551|2.777215|2.488771|2.288427|2.300091|2.525115|3.379148|2.685837|4.626726|18.620407|4.078596|5.617915|4.967336|5.642691|8.908189|17.683451|8.900209|12.708979|0.054321|0.049300|0.046119|0.054453|0.046386|0.049807|0.048222|0.118076|0.080847|0.058332|0.058805|0.063498|0.097460|0.112504|0.107740|0.124343|0.500000|
|2.049902|3.819379|2.175097|2.279816|3.716011|3.165541|5.283302|4.043129|0.113601|5.343239|0.125624|7.929986|4.098758|3.613700|0.097340|2.839122|4.438355|3.721215|3.742433|3.105330|2.708671|2.699654|3.093161|4.051277|3.371724|5.635818|22.720301|6.973848|8.927902|5.669967|4.963983|5.660062|8.952453|17.705709|7.486212|0.061349|0.055406|0.051677|0.064601|0.054116|0.061104|0.058780|0.175219|0.115802|0.066900|0.066621|0.073109|0.145120|0.217360|0.124328|0.107738|0.216329|0.500000|
|1.709081|3.007072|1.690486|1.670123|2.528199|2.055839|3.625110|2.279706|0.061522|2.779639|0.077702|3.856243|2.378842|2.117315|0.055841|1.869410|3.056568|2.241419|2.170470|1.995427|1.902310|1.951171|2.115181|2.924228|2.300089|4.105183|14.903099|3.125680|4.144042|4.434521|6.051796|9.997910|7.772533|4.977641|35.766119|0.051850|0.046671|0.044216|0.050634|0.043387|0.045020|0.043360|0.088975|0.061499|0.049271|0.051288|0.056629|0.079701|0.082296|0.101140|0.152108|0.229550|0.116824|0.500000|
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