Version2.4
2021-05-29T03:44:29Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
30-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOCCCn1c(nnc1SCc2cc(=O)[nH]c3c2c(c(s3)C(=O)[O-])C)c4ccncc4 C13253769
RHF
6-31G(d)
(6D,7F)
CCOCCCn1c(nnc1SCc2cc(=O)[nH]c3c2c(c(s3)C(=O)[O-])C)c4ccncc4
C01[X(C22H22N5O4S2)]
159
C1
547
CCOCCCn1c(SCc2cc(=O)[nH]c3c2c(C)c(s3)C(=O)[O-])nnc1c1ccncc1
CCOCCCn1c(SCc2cc(=O)[nH]c3c2c(C)c(s3)C(=O)[O-])nnc1c1ccncc1
CCOCCCn1c(SCC2=CC(=O)Nc3sc(C([O-])=O)c(C)c23)nnc1c4ccncc4
InChIKey=IZMQIBUYTIPWJI-UHFFFAOYSA-M
InChI=1S/C22H23N5O4S2/c1-3-31-10-4-9-27-19(14-5-7-23-8-6-14)25-26-22(27)32-12-15-11-16(28)24-20-17(15)13(2)18(33-20)21(29)30/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,24,28)(H,29,30)/p-1
InChI=1/C22H23N5O4S2/c1-3-31-10-4-9-27-19(14-5-7-23-8-6-14)25-26-22(27)32-12-15-11-16(28)24-20-17(15)13(2)18(33-20)21(29)30/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,24,28)(H,29,30)/p-1/fC22H22N5O4S2/h24H/q-1
CCOCCCn1c(nnc1SCc2cc(=O)[nH]c3c2c(c(s3)C(=O)[O-])C)c4ccncc4
C01[X(C22H22N5O4S2)]
159
C01
547
CCOCCCn1c(SCc2cc(=O)[nH]c3c2c(C)c(s3)C(=O)[O-])nnc1c1ccncc1
CCOCCCN1[C]([N][N][C]1[C]1[CH][CH][N][CH][CH]1)SC[C]1=[CH][C](=O)N[C]2[C]1[C](=C(S2)[C]([O])[O])C
CCOCCCN1[C]([N][N][C]1[C]2[CH][CH][N][CH][CH]2)SCC3=CC(=O)N[C]4SC(=C(C)[C]34)[C]([O])[O]
InChIKey=SQISUCCBRKHPIM-UHFFFAOYSA-N
InChI=1S/C22H22N5O4S2/c1-3-31-10-4-9-27-19(14-5-7-23-8-6-14)25-26-22(27)32-12-15-11-16(28)24-20-17(15)13(2)18(33-20)21(29)30/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,24,28)
InChI=1/C22H22N5O4S2/c1-3-31-10-4-9-27-19(14-5-7-23-8-6-14)25-26-22(27)32-12-15-11-16(28)24-20-17(15)13(2)18(33-20)21(29)30/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,24,28)/f/h24H
3826.7674220444
-2212.6695244
1-A
16137.5364
127
420
547
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10.00228
-1.4360 2.8350 -7.4462
8.0959
|XX|YY|ZZ|XY|XZ|YZ|
-276.9212 -223.6072 -279.9624 -19.4743 13.6559 -8.3613
|XX|YY|ZZ|XY|XZ|YZ|
-16.7576 36.5564 -19.7988 -19.4743 13.6559 -8.3613
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-197.3897 130.4540 -176.1214 51.5520 -22.6117 30.0682 -5.6895 0.0630 46.6351 12.7732
|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|
10.5636 19.5966 24.1488 41.9121 46.3933 51.0284 62.9212 71.5178 78.6057 83.5454 85.0403 90.0285 108.9616 110.9139 122.0166 149.9610 153.4740 166.1426 175.9132 200.4888 208.7636 245.3537 246.1432 266.3590 276.6796 278.9073 291.7201 301.2161 309.8737 317.9336 335.5245 351.3941 369.4548 371.2201 394.6315 447.5411 452.9055 471.8014 495.4715 503.2958 509.6353 525.4299 542.0596 572.6609 586.2277 609.5324 616.8795 642.5863 659.0869 662.9784 678.7947 731.7344 742.1106 761.9639 794.8445 802.5649 812.2854 822.2326 825.7962 827.7135 837.1555 855.3557 882.3905 887.8556 892.3345 947.9082 954.9148 957.7051 977.2185 979.1652 1008.8773 1034.3225 1042.9232 1072.9151 1081.9447 1092.4187 1105.7554 1109.8210 1143.0235 1165.1536 1166.2888 1168.7617 1170.3979 1174.2378 1178.1601 1198.7431 1210.5672 1244.3129 1253.0388 1255.3638 1264.7679 1270.1793 1296.7266 1300.1195 1300.9897 1337.7376 1353.6954 1363.4736 1373.6096 1384.5461 1405.2173 1425.3328 1426.6025 1431.4727 1440.4295 1447.9287 1482.6156 1506.7777 1525.8274 1536.9088 1554.4913 1560.6335 1563.4490 1564.9330 1574.5277 1591.4676 1603.5548 1618.7801 1627.8962 1629.4963 1637.6964 1641.0458 1645.7730 1648.6935 1662.3202 1664.8950 1672.8672 1674.0706 1677.5885 1691.8376 1729.1497 1757.7922 1766.3587 1793.9898 1823.6371 1906.1798 1929.7182 3162.0936 3176.0822 3194.2377 3196.7737 3204.6983 3208.4779 3226.3607 3271.1085 3271.9389 3285.1134 3291.2617 3299.2387 3308.9102 3356.1894 3359.2187 3367.5990 3374.8202 3388.3106 3388.4591 3392.5026 3403.5863 3857.2905
6.9363 5.7060 6.4820 5.2530 2.1513 7.9147 4.5003 4.4474 4.3900 8.6878 10.2276 8.2330 6.6854 6.6801 1.7485 5.3867 4.6094 3.4887 5.8730 8.9246 6.1667 1.4892 4.8068 2.8729 1.1725 4.3786 6.9275 4.5232 3.3245 3.5367 6.0216 5.7208 6.8175 6.7083 3.8865 2.8034 5.6466 8.7021 5.1371 11.5120 3.7407 6.6265 5.0307 5.9039 6.1778 4.9833 4.3949 3.9055 1.5853 5.7717 3.8642 6.9404 4.1588 6.2946 8.4438 6.9277 5.4541 1.7632 2.5637 2.5784 5.1831 4.2946 8.6844 1.0895 7.3556 1.4241 1.3224 1.8018 2.5380 2.0390 3.9868 1.2485 3.3584 5.6869 7.1567 7.2446 1.3932 3.3351 2.6040 1.8014 1.8471 2.8056 1.8115 2.5034 2.0289 2.2244 6.4060 2.8519 1.7306 2.4473 3.6153 3.2487 1.6861 2.5896 2.1398 1.7563 1.2420 3.3037 2.2962 2.7215 1.3212 1.4979 1.1939 1.4466 3.9788 1.0761 1.3349 11.0558 1.8578 1.2519 2.1231 1.6334 1.5127 1.8010 1.7017 2.2259 4.0919 1.4742 1.1299 1.0425 1.1799 2.3246 1.0969 1.2800 1.3085 1.1276 1.1683 3.2056 2.2406 1.0995 6.1729 6.4480 6.9731 8.0199 5.4721 12.3596 7.5356 1.0567 1.0591 1.1071 1.0590 1.1037 1.0379 1.0625 1.1016 1.1055 1.1046 1.0695 1.0803 1.0614 1.0903 1.1076 1.0987 1.0947 1.0968 1.0968 1.0937 1.0955 1.0785
0.0005 0.0013 0.0022 0.0054 0.0027 0.0121 0.0105 0.0134 0.0160 0.0357 0.0436 0.0393 0.0468 0.0484 0.0153 0.0714 0.0640 0.0567 0.1071 0.2114 0.1583 0.0528 0.1716 0.1201 0.0529 0.2007 0.3473 0.2418 0.1881 0.2106 0.3994 0.4162 0.5483 0.5447 0.3566 0.3308 0.6824 1.1413 0.7430 1.7181 0.5724 1.0779 0.8709 1.1407 1.2509 1.0908 0.9854 0.9501 0.4057 1.4947 1.0490 2.1895 1.3494 2.1532 3.1431 2.6291 2.1203 0.7023 1.0301 1.0408 2.1402 1.8513 3.9839 0.5060 3.4508 0.7539 0.7105 0.9737 1.4280 1.1518 2.3908 0.7870 2.1522 3.8571 4.9360 5.0938 1.0036 2.4203 2.0045 1.4409 1.4803 2.2580 1.4620 2.0337 1.6593 1.8833 5.5311 2.6016 1.6009 2.2724 3.4074 3.0881 1.6704 2.5790 2.1339 1.8518 1.3409 3.6186 2.5526 3.0738 1.5371 1.7930 1.4317 1.7465 4.8639 1.3293 1.7289 14.7889 2.5483 1.7423 3.0228 2.3439 2.1786 2.5987 2.4856 3.3217 6.1993 2.2760 1.7642 1.6309 1.8644 3.6884 1.7505 2.0500 2.1304 1.8416 1.9264 5.2930 3.7153 1.8541 10.8743 11.7385 12.8185 15.2076 10.7221 26.4596 16.5331 6.2250 6.2948 6.6554 6.3765 6.6783 6.2952 6.5162 6.9451 6.9730 7.0232 6.8258 6.9282 6.8469 7.2357 7.3641 7.3413 7.3460 7.4189 7.4193 7.4162 7.4769 9.4545
2.3901 2.4260 0.2046 0.7285 1.1173 1.9706 1.3742 0.8819 3.8686 17.8068 2.0090 2.5992 0.8437 2.4024 0.0209 7.3450 3.7423 5.4759 2.8048 0.0845 3.0611 2.4898 1.7012 0.5743 1.0886 1.7237 2.9398 0.4306 2.2236 14.3911 1.1081 0.8852 4.6025 3.3159 7.9542 0.0813 1.0831 12.9865 9.1193 6.6062 2.0263 7.7450 7.5545 2.7257 2.2335 22.5283 17.3872 16.5474 48.3648 11.9158 6.0713 2.1570 3.3623 19.1609 0.7425 9.2050 8.4012 2.6589 26.0165 30.1861 9.4107 9.2026 82.8967 0.4634 77.4974 23.9721 4.7041 47.4039 20.1335 8.3506 3.7652 5.0592 21.0867 27.6668 7.2306 12.2096 3.3666 1.5225 9.9783 6.1263 2.5194 2.2264 3.0013 5.6592 13.2178 3.5632 21.9176 4.4967 5.9856 4.4474 41.8360 26.0961 22.5921 165.5159 94.2386 14.0485 9.3514 14.7664 6.3377 3.9365 17.8646 2.3587 5.7237 9.8209 11.4285 0.6660 6.1533 589.6627 7.9169 32.8460 37.8633 22.5907 46.5435 6.9910 119.0908 17.4709 53.0802 5.5684 9.1445 2.5524 36.2086 19.0389 5.9252 8.8051 41.4939 14.3198 8.3395 97.6881 69.7881 0.7710 54.8124 119.9222 24.5697 13.1021 48.0402 688.7550 1315.0831 9.3864 81.8230 34.1189 51.0932 49.2481 32.7605 21.4891 50.8731 31.6994 49.9991 18.0173 31.8719 9.1234 52.9372 3.8086 2.0109 78.2264 25.2380 1.0625 5.7594 9.7297 75.9476
2.5432 0.8324 1.5958 0.1179 0.4677 2.7232 2.7786 0.9149 1.6467 1.5160 2.2152 2.6600 1.9745 1.9111 0.2754 2.3106 0.4384 0.1180 1.0892 0.2978 3.0509 0.3253 1.9439 0.9203 0.0875 1.0152 1.7419 1.0048 0.5830 2.3103 4.6616 0.9230 0.9509 2.0466 1.0865 0.4222 0.2703 1.3037 1.5932 3.6446 0.9094 2.6822 0.7449 0.7992 11.2011 4.2917 6.6495 1.3295 3.6983 4.1203 2.5081 9.1290 33.1152 6.6767 1.2498 2.3288 2.8008 1.4820 2.9648 0.9352 8.8569 1.4946 2.8568 0.3001 5.6409 0.7527 0.9141 5.5857 4.0823 10.5836 2.8924 1.7116 4.5418 0.5846 7.7201 33.4595 1.8209 9.9251 1.3167 2.5023 2.2364 5.0361 7.3717 18.1589 12.3935 15.2058 1.0427 16.2789 4.7155 4.6216 15.9481 6.7519 25.9991 3.6274 2.6194 2.9056 7.2158 53.5663 77.7959 1.8139 54.4195 6.4100 11.9673 5.8002 23.6236 12.2815 1.9089 26.8584 17.6469 0.6107 3.4433 10.9439 1.7251 10.4997 10.2129 21.9954 140.0530 3.1469 22.1011 19.1676 27.1226 96.4828 20.8954 22.4032 11.4146 12.3093 6.7224 54.4884 7.1646 7.9435 45.1310 17.1584 11.7912 22.6659 82.9117 3.2588 44.8690 4.6371 85.9203 35.2568 108.3233 54.9323 134.3931 49.5484 76.9945 32.6868 41.9589 97.9053 88.7866 41.5211 163.9880 43.2031 39.8738 52.4909 131.5233 26.9315 101.3817 94.6426 72.3883
0.7354 0.7493 0.6830 0.7496 0.6903 0.7357 0.7411 0.7258 0.7120 0.7146 0.7027 0.7168 0.4379 0.6102 0.6800 0.6817 0.7471 0.4708 0.7486 0.5846 0.4410 0.2546 0.3511 0.6129 0.7443 0.6059 0.7494 0.6903 0.5625 0.2107 0.2948 0.3676 0.1816 0.2193 0.4778 0.3968 0.5531 0.1618 0.5251 0.2841 0.5930 0.3448 0.6628 0.3374 0.0827 0.4079 0.3215 0.5393 0.6912 0.5040 0.4326 0.6893 0.2667 0.3160 0.3933 0.6780 0.2663 0.3884 0.5255 0.6164 0.3353 0.6921 0.3453 0.6876 0.2622 0.5835 0.6476 0.7305 0.2384 0.3638 0.7500 0.5684 0.2151 0.6139 0.2747 0.1396 0.7194 0.5925 0.7497 0.5852 0.7305 0.6466 0.0840 0.2187 0.5336 0.4116 0.3885 0.4835 0.5827 0.4788 0.3877 0.2978 0.4854 0.6997 0.5833 0.6328 0.4886 0.1962 0.2298 0.3511 0.2525 0.6439 0.7344 0.7411 0.5281 0.7454 0.7233 0.1533 0.3724 0.6214 0.5119 0.3672 0.6344 0.5966 0.2001 0.3055 0.2069 0.1607 0.5186 0.7500 0.5342 0.2259 0.5581 0.6288 0.3246 0.6252 0.6896 0.3639 0.6696 0.7455 0.2058 0.4569 0.3754 0.1237 0.4782 0.7484 0.2545 0.4945 0.1271 0.7452 0.1765 0.7286 0.0232 0.0802 0.7442 0.6170 0.7498 0.2811 0.2691 0.0618 0.3773 0.5975 0.7002 0.6294 0.1304 0.2934 0.3750 0.2024 0.2655
0.8475 0.8567 0.8116 0.8569 0.8168 0.8478 0.8513 0.8411 0.8318 0.8335 0.8254 0.8350 0.6091 0.7579 0.8096 0.8107 0.8552 0.6402 0.8562 0.7379 0.6121 0.4059 0.5197 0.7600 0.8534 0.7546 0.8567 0.8168 0.7200 0.3481 0.4554 0.5376 0.3074 0.3597 0.6466 0.5681 0.7122 0.2786 0.6886 0.4425 0.7445 0.5128 0.7972 0.5045 0.1528 0.5794 0.4866 0.7007 0.8174 0.6702 0.6040 0.8161 0.4211 0.4803 0.5645 0.8081 0.4205 0.5595 0.6890 0.7627 0.5022 0.8180 0.5134 0.8149 0.4155 0.7370 0.7861 0.8443 0.3850 0.5335 0.8571 0.7248 0.3541 0.7608 0.4310 0.2451 0.8368 0.7441 0.8569 0.7383 0.8443 0.7854 0.1550 0.3589 0.6958 0.5831 0.5596 0.6518 0.7363 0.6476 0.5587 0.4590 0.6535 0.8233 0.7368 0.7751 0.6565 0.3281 0.3737 0.5198 0.4032 0.7834 0.8469 0.8513 0.6911 0.8541 0.8394 0.2659 0.5428 0.7665 0.6771 0.5372 0.7763 0.7473 0.3335 0.4680 0.3428 0.2769 0.6830 0.8571 0.6964 0.3686 0.7164 0.7721 0.4901 0.7694 0.8163 0.5336 0.8021 0.8542 0.3413 0.6272 0.5458 0.2201 0.6470 0.8561 0.4057 0.6618 0.2256 0.8540 0.3001 0.8430 0.0454 0.1485 0.8534 0.7632 0.8570 0.4388 0.4240 0.1164 0.5479 0.7480 0.8237 0.7726 0.2308 0.4536 0.5454 0.3367 0.4196
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
6 6 8 6 6 6 7 6 7 7 6 16 6 6 6 6 8 7 1 6 6 6 6 16 6 8 8 6 6 6 6 7 6 6 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 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 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
13201.4255 22023.9177 23423.0683
0.99947 -0.03246 0.00376 0.03268 0.99363 -0.10787 -0.00023 0.10794 0.99416
1
0.00656 0.00393 0.00370
0.13671 0.08194 0.07705
15.20 28.20 34.74 60.30 66.75 73.42 90.53 102.90 113.10 120.20 122.35 129.53 156.77 159.58 175.55 215.76 220.81 239.04 253.10 288.46 300.36 353.01 354.15 383.23 398.08 401.29 419.72 433.38 445.84 457.44 482.74 505.58 531.56 534.10 567.79 643.91 651.63 678.82 712.87 724.13 733.25 755.98 779.90 823.93 843.45 876.98 887.55 924.54 948.28 953.88 976.63 1052.80 1067.73 1096.30 1143.60 1154.71 1168.70 1183.01 1188.14 1190.90 1204.48 1230.67 1269.56 1277.43 1283.87 1363.83 1373.91 1377.92 1406.00 1408.80 1451.55 1488.16 1500.53 1543.69 1556.68 1571.75 1590.94 1596.78 1644.56 1676.40 1678.03 1681.59 1683.94 1689.47 1695.11 1724.72 1741.74 1790.29 1802.84 1806.19 1819.72 1827.50 1865.70 1870.58 1871.83 1924.71 1947.67 1961.73 1976.32 1992.05 2021.79 2050.74 2052.56 2059.57 2072.46 2083.25 2133.15 2167.92 2195.33 2211.27 2236.57 2245.40 2249.45 2251.59 2265.39 2289.77 2307.16 2329.06 2342.18 2344.48 2356.28 2361.10 2367.90 2372.10 2391.71 2395.41 2406.88 2408.61 2413.68 2434.18 2487.86 2529.07 2541.40 2581.15 2623.81 2742.57 2776.43 4549.55 4569.67 4595.80 4599.44 4610.85 4616.28 4642.01 4706.40 4707.59 4726.55 4735.39 4746.87 4760.78 4828.81 4833.17 4845.22 4855.61 4875.02 4875.24 4881.05 4897.00 5549.78
0.457086
0.486197
0.487141
0.393141
-2212.212438
-2212.183328
-2212.182383
-2212.276383
3.152775D-04
MUNgauss
RevisionA2.1
retrievium
29-May-2021
DUDE CCOCCCn1c(nnc1SCc2cc(=O)[nH]c3c2c(c(s3)C(=O)[O-])C)c4ccncc4 C13253769
RHF
6-31G(d)
(6D,10F)
C1
484.111323
|X|Y|Z|
65.064724 57.142147 92.945412
70.174076
22
|36.858105|
|12.560865|36.858105|
|8.056185|13.651111|73.516695|
|5.208939|8.113489|24.226150|36.858105|
|4.039160|5.207493|14.303653|12.532774|36.858105|
|3.131117|3.923375|9.095820|7.586817|12.478581|36.858105|
|2.646626|3.118838|6.981999|4.987306|7.670540|13.013198|53.358707|
|2.439241|2.790707|6.114508|4.099685|5.830332|7.506242|19.115044|36.858105|
|2.151867|2.399449|5.126508|3.298813|4.408660|5.297080|11.916247|14.738572|53.358707|
|2.116267|2.364492|5.032684|3.253433|4.310271|5.294205|11.897399|8.918799|19.202804|53.358707|
|2.358080|2.704227|5.867014|3.962650|5.484857|7.484874|18.985987|8.907830|12.167795|20.141293|36.858105|
|2.293607|2.625744|5.537079|3.686494|4.610505|5.766704|9.311412|4.935652|6.751028|9.593414|10.816602|388.023441|
|1.963152|2.241319|4.532971|3.010218|3.495300|4.482307|6.904034|4.064891|5.662369|7.428234|6.717130|73.187794|36.858105|
|2.003821|2.321862|4.593590|3.092266|3.386901|4.314863|5.889312|3.463450|4.563110|5.461391|4.948750|48.981059|12.605811|36.858105|
|1.919676|2.196101|4.258541|2.784379|2.950483|3.508452|4.687261|2.843083|3.784730|4.464722|3.889763|38.981135|7.775822|14.098308|36.858105|
|1.924968|2.209262|4.171197|2.705925|2.735019|3.150418|4.020057|2.478469|3.238242|3.675996|3.159569|29.114149|4.990722|7.724220|13.107727|36.858105|
|1.814421|2.048993|3.810997|2.408876|2.406121|2.677025|3.437698|2.164307|2.852529|3.211083|2.696669|24.345022|3.958235|5.315941|8.042496|15.771172|73.516695|
|2.047269|2.398391|4.483544|2.974162|2.919521|3.411955|4.171847|2.561264|3.260273|3.606958|3.131175|27.118192|4.490639|6.923965|8.033152|13.840124|15.075863|53.358707|
|2.025013|2.363859|4.320410|2.819759|2.692511|3.049610|3.695251|2.309112|2.933383|3.194654|2.730285|22.957464|3.639269|5.082786|5.823109|9.429010|13.942704|26.004442|0.500000|
|2.143478|2.556497|4.861402|3.345830|3.327148|4.125928|4.939851|2.982254|3.713757|4.066582|3.599431|29.765494|5.036393|7.969541|6.980159|7.888519|9.669470|19.026908|0.257228|36.858105|
|2.105104|2.492987|4.892036|3.399799|3.610162|4.797355|6.073773|3.570107|4.478379|5.039394|4.577324|38.127356|7.351730|13.166954|7.873039|6.654901|8.324469|10.829875|0.160801|13.939837|36.858105|
|2.133559|2.544805|5.035436|3.568779|3.850982|5.445201|6.895018|4.150529|5.007477|5.337280|4.764104|33.592961|5.852102|7.153205|4.967012|4.423876|6.151681|7.128590|0.120519|8.153960|13.006796|36.858105|
|2.227803|2.700400|5.211436|3.726621|3.758616|5.027126|5.848559|3.650347|4.300474|4.395206|3.825437|26.577338|4.207220|5.091880|4.036232|3.945779|5.681032|6.790241|0.122588|7.709463|8.162393|14.154130|36.858105|
|2.243131|2.724791|5.054461|3.520201|3.321198|4.041141|4.621253|2.880919|3.486976|3.640859|3.152754|23.741369|3.705086|4.843427|4.285579|4.739646|6.810219|9.504679|0.183191|11.066384|7.360140|7.353372|10.831142|388.023441|
|2.246031|2.719563|5.180260|3.653566|3.604543|4.574368|5.327740|3.553738|4.103388|3.983614|3.335560|21.855434|3.275231|3.655943|3.052197|3.007289|4.548899|4.936101|0.094093|4.831429|4.956465|7.228841|12.411079|48.648952|36.858105|
|2.236479|2.678838|5.220799|3.661418|3.792571|4.894000|5.950390|4.173148|4.692676|4.372075|3.587020|22.081395|3.236120|3.406358|2.814255|2.687428|4.104740|4.221912|0.079842|3.976220|4.350547|6.378860|8.104973|34.833803|15.414535|73.516695|
|2.212064|2.670206|4.907045|3.364555|3.163511|3.748003|4.353988|2.937487|3.458579|3.372360|2.787681|18.795104|2.792195|3.155499|2.754104|2.814245|4.349234|4.678109|0.092765|4.366804|4.134473|5.272349|8.216857|47.733387|15.562164|15.164581|73.516695|
|1.974811|2.303900|4.611932|3.179581|3.610340|5.076656|7.469360|4.871967|6.063360|6.306764|5.264652|32.879048|5.813986|5.728962|4.102722|3.509890|5.112341|5.200693|0.091128|5.059139|7.228852|12.609080|7.596724|33.535159|5.929285|11.290668|7.752974|36.858105|
|2.491583|2.836905|6.131416|4.018998|5.318773|6.064191|10.234731|12.852717|10.613554|7.270651|5.307107|25.765225|3.164410|2.856374|2.410436|2.173968|3.419343|3.112306|0.058394|2.653837|3.045733|3.613971|3.406798|19.179138|3.583794|7.827581|5.343678|4.144805|36.858105|
|2.424730|2.661824|5.684285|3.486314|4.420355|4.470602|7.150421|7.694635|8.566503|6.070073|4.206163|21.752941|2.659852|2.404058|2.087815|1.900720|3.040476|2.690222|0.051052|2.235611|2.507424|2.862163|2.734847|16.114812|2.880075|6.062070|4.469481|3.205641|13.699758|36.858105|
|2.351636|2.546055|5.260244|3.144733|3.697215|3.651025|5.379073|5.098470|5.962309|4.612409|3.264357|18.024381|2.271721|2.106537|1.855713|1.719464|2.773485|2.452062|0.047075|2.026543|2.224026|2.539935|2.501587|14.943820|2.721270|5.730866|4.323082|2.797161|7.997714|13.798039|36.858105|
|2.333037|2.561996|5.169167|3.137992|3.520520|3.555304|4.980574|4.469172|5.121249|4.115223|2.995308|16.968491|2.195181|2.080956|1.831387|1.716689|2.764519|2.482178|0.047907|2.068993|2.246502|2.614154|2.647255|15.666769|3.000278|6.464564|4.796814|2.856815|6.849492|7.991580|14.400890|53.358707|
|2.390257|2.710498|5.488729|3.495829|3.918004|4.194704|5.733129|5.061814|5.491706|4.438406|3.320406|18.630928|2.445130|2.342583|2.028764|1.901016|3.027138|2.786369|0.053517|2.371393|2.592621|3.124560|3.211459|18.291124|3.779257|8.636871|5.868365|3.437846|8.013495|7.065462|8.435768|19.640821|36.858105|
|2.468997|2.862703|5.992409|4.018891|4.838924|5.698555|8.121522|7.568592|7.272598|5.674938|4.339630|22.930392|2.972767|2.802888|2.363005|2.173945|3.409145|3.187015|0.060233|2.767258|3.123237|3.879311|3.855145|20.957778|4.389851|10.413176|6.424814|4.402012|13.736155|7.987326|7.033315|10.832967|13.720595|36.858105|
|17.540467|8.845953|10.230598|4.249672|3.355487|2.732142|3.178127|2.165499|2.626491|2.588763|2.103855|14.701930|1.806917|1.861402|1.799218|1.826082|3.086534|2.651466|0.054120|2.021883|1.961248|1.981368|2.087024|15.184541|2.114153|3.707377|3.761162|1.828032|2.217562|2.158906|2.119026|2.894419|2.179830|2.226577|0.500000|
|17.566379|8.860269|12.896102|4.824334|3.949747|3.054411|3.574157|2.402992|2.924141|2.914486|2.386273|16.779519|1.989845|2.018097|1.950827|1.948407|3.284260|2.780356|0.055955|2.112835|2.083804|2.079687|2.136464|15.356328|2.114019|3.739353|3.671002|1.929052|2.402083|2.346379|2.241185|2.976754|2.230535|2.333207|0.300228|0.500000|
|17.568694|8.863092|12.899347|4.827619|3.963213|3.057108|3.585035|2.485745|2.979984|2.882983|2.327450|15.712301|1.892494|1.906840|1.811321|1.797601|3.004479|2.592726|0.052045|2.011118|2.001335|2.056537|2.139426|14.992338|2.187953|3.939528|3.810183|1.936583|2.594799|2.581288|2.540756|3.415580|2.522363|2.560032|0.300253|0.301093|0.500000|
|8.844696|17.481536|16.558640|7.278490|4.749189|3.785222|4.079143|2.629804|3.113845|3.128339|2.654125|18.987802|2.298717|2.430100|2.333073|2.390457|3.960206|3.556322|0.072316|2.741280|2.611423|2.604748|2.775668|20.698564|2.730157|4.663691|4.812785|2.306420|2.610475|2.417333|2.293329|3.146353|2.470914|2.641392|0.212469|0.211809|0.173318|0.500000|
|8.844593|17.490873|16.562153|7.288270|4.772199|3.790058|4.095108|2.739056|3.181308|3.089475|2.573955|17.482928|2.152365|2.242917|2.105018|2.127307|3.496402|3.187274|0.064425|2.529600|2.454506|2.559625|2.781949|19.832251|2.894665|5.069253|5.138818|2.319181|2.862775|2.675973|2.616605|3.677532|2.885853|2.984115|0.212472|0.173299|0.211845|0.301733|0.500000|
|4.754464|7.252794|16.550617|17.481635|8.825848|6.942671|6.296790|3.688886|4.169551|4.260822|3.879591|27.611306|3.200208|3.412222|3.118274|3.092220|4.863940|4.697486|0.091126|3.845144|3.777512|3.796857|3.983660|28.386105|3.714230|6.325172|6.151098|3.228766|3.481353|3.009388|2.717394|3.704348|3.041220|3.501496|0.112414|0.126482|0.116564|0.218460|0.176690|0.500000|
|4.769168|7.308262|16.539082|17.499440|8.839449|6.901130|6.304203|3.980018|4.309122|4.140471|3.618633|23.400510|2.828013|2.938948|2.624660|2.576936|4.072667|3.934665|0.076783|3.319576|3.340015|3.655250|4.003660|26.329722|4.169009|7.462354|6.901723|3.254912|4.129504|3.536084|3.291529|4.653039|3.923730|4.422098|0.112884|0.116785|0.126598|0.178434|0.220771|0.301624|0.500000|
|3.985249|4.870059|13.016370|8.933898|17.569037|8.819937|9.495858|6.249249|6.265205|5.714706|4.953543|27.989487|3.088134|2.937011|2.572948|2.387145|3.779460|3.445844|0.065430|2.867016|3.115693|3.402095|3.345325|20.702984|3.355017|6.504851|5.266303|3.338165|6.350626|5.492013|4.524441|5.698852|4.536135|5.512080|0.091589|0.106526|0.114473|0.117275|0.128109|0.173921|0.213607|0.500000|
|3.986313|4.857869|13.069592|8.909594|17.549133|8.845500|9.449907|5.275397|5.862701|6.044527|5.686148|36.113599|3.580341|3.394450|3.020958|2.768351|4.371361|3.907012|0.073346|3.170007|3.444565|3.498601|3.317893|21.557476|3.091791|5.690681|4.891572|3.297715|4.537498|3.975732|3.304337|4.175488|3.301067|3.970951|0.091469|0.114097|0.107247|0.126658|0.117486|0.211622|0.173824|0.302581|0.500000|
|3.007634|3.779794|8.384846|6.864772|8.844001|17.678461|12.634703|5.707834|6.170656|6.689529|7.207433|48.563389|5.285724|5.392128|4.285328|3.814825|5.600624|5.684150|0.101010|5.156465|6.083571|6.355567|5.642436|33.681595|4.632131|8.193637|6.806293|5.306009|4.606062|3.597942|3.032377|4.056514|3.462842|4.454312|0.073901|0.082549|0.079551|0.106196|0.100035|0.206221|0.168520|0.173448|0.213484|0.500000|
|3.008407|3.798449|8.373658|6.928906|8.771192|17.665737|12.503271|6.852629|6.543664|6.179684|5.807393|32.687211|4.009566|4.004401|3.254109|2.994012|4.528107|4.547279|0.083912|4.164330|4.753609|5.958624|5.951589|31.377566|5.853292|11.702294|8.119825|5.542768|6.404962|4.527312|3.841982|5.354957|4.946926|7.002798|0.074074|0.079504|0.082253|0.101074|0.106888|0.173299|0.207017|0.207981|0.172942|0.305389|0.500000|
|1.892745|2.156587|4.366460|2.904086|3.413824|4.487320|7.335730|4.515638|6.447822|8.401208|7.070553|56.155821|17.720269|8.719142|5.727464|4.120229|5.962802|5.328609|0.090363|4.572074|6.735275|6.303472|4.368757|25.556031|3.468037|6.274118|5.142400|7.405039|3.466110|2.863687|2.429489|3.200269|2.642258|3.259678|0.048420|0.052840|0.051200|0.060654|0.058211|0.083672|0.077323|0.085924|0.094605|0.138889|0.115319|0.500000|
|1.812382|2.034264|4.066881|2.626387|3.002130|3.637044|5.579277|3.464999|4.993385|6.515874|5.369255|56.854064|17.639619|8.916273|7.421086|4.738751|7.014025|5.470561|0.092601|4.208483|5.523268|4.487175|3.449088|22.503631|2.782517|4.888842|4.323173|4.537737|2.764309|2.394457|2.065177|2.702251|2.174861|2.583415|0.046595|0.051376|0.048577|0.058040|0.054096|0.077297|0.068451|0.074985|0.086871|0.115255|0.091223|0.303319|0.500000|
|1.826127|2.054891|3.986507|2.548858|2.727680|3.150768|4.329988|2.675101|3.646206|4.364216|3.698590|38.039165|7.187162|8.983141|17.743745|8.888670|12.957757|7.805336|0.128065|5.014205|5.585875|4.000085|3.322138|24.569564|2.630446|4.401931|4.253701|3.536122|2.261298|1.990329|1.766798|2.350952|1.888638|2.182591|0.047558|0.052017|0.047996|0.060385|0.054342|0.078274|0.066185|0.066865|0.079154|0.103778|0.080253|0.146470|0.226454|0.500000|
|1.788969|2.054451|4.060837|2.724198|3.052108|4.037851|6.046873|4.074826|5.414888|5.801959|4.598411|30.553740|5.983433|5.791404|4.209223|3.533381|5.179027|5.066260|0.088600|4.717902|6.649065|8.919925|5.924323|29.801351|4.725453|8.663436|6.639315|17.512450|3.488946|2.820602|2.488498|3.431920|2.947766|3.613743|0.046316|0.048849|0.048702|0.057435|0.057195|0.077418|0.076649|0.079038|0.079623|0.118677|0.117645|0.223425|0.135485|0.102121|0.500000|
|1.944727|2.264950|4.494395|3.077056|3.432794|4.665555|6.681708|4.693785|5.705982|5.538275|4.431424|26.818663|4.386515|4.374672|3.370636|3.012572|4.503019|4.527255|0.081924|4.303944|5.463073|8.972017|7.346210|31.491770|6.922645|14.871840|8.661609|17.692547|4.329201|3.326420|2.971632|4.251942|3.875997|4.936862|0.050195|0.052237|0.053392|0.062354|0.064340|0.085050|0.090086|0.090717|0.085300|0.128155|0.150828|0.147156|0.100602|0.082201|0.300073|0.500000|
|2.056060|2.390004|4.898121|3.381332|4.062171|5.949264|10.048566|6.459268|8.056622|8.513074|7.210878|39.384484|6.459228|5.563564|3.990728|3.320898|4.891478|4.760030|0.083687|4.426419|6.216994|8.724613|5.897909|28.683320|4.931004|9.845170|6.681520|17.625341|4.971106|3.711763|3.107418|4.199677|3.682646|4.938632|0.052316|0.056124|0.056324|0.065791|0.066109|0.093621|0.094160|0.104864|0.103764|0.165552|0.170934|0.242936|0.136498|0.098337|0.302510|0.303707|0.500000|
|2.356067|2.537697|5.433326|3.250971|4.163886|4.099888|6.782069|7.102993|9.057144|6.422263|4.257809|22.041146|2.636174|2.341175|2.052281|1.855489|2.985465|2.589144|0.049084|2.121984|2.383040|2.649022|2.493007|14.991118|2.557025|5.234055|4.005463|2.952236|8.876718|17.749501|8.903497|7.751266|5.054667|5.658406|0.058140|0.064394|0.069659|0.064328|0.069561|0.078957|0.088731|0.141031|0.109725|0.094048|0.109793|0.078214|0.066841|0.055026|0.073608|0.082993|0.095629|0.500000|
|2.241489|2.366515|4.816741|2.792381|3.212079|3.097457|4.535693|4.135132|5.118454|4.088668|2.863144|16.252916|2.050278|1.902429|1.698217|1.579923|2.570643|2.237917|0.043182|1.825641|1.986121|2.226468|2.193198|13.389702|2.362478|4.857227|3.817826|2.428112|5.663436|8.926829|17.695418|12.699765|5.918505|5.033356|0.056407|0.059640|0.067912|0.059184|0.067219|0.067681|0.080181|0.107495|0.082043|0.073288|0.088724|0.060426|0.052462|0.045267|0.061081|0.070950|0.074227|0.214210|0.500000|
|2.302194|2.618545|5.144511|3.272605|3.484373|3.746509|4.936485|4.105621|4.606285|3.879221|2.935457|17.091734|2.296404|2.247068|1.958588|1.859781|2.968352|2.755116|0.053337|2.349527|2.525688|3.063997|3.257825|18.618738|4.028505|9.294767|6.403231|3.308969|5.681765|5.051526|5.914109|12.690368|17.719197|8.943934|0.059151|0.059162|0.067068|0.066836|0.078902|0.080502|0.104522|0.107901|0.081968|0.088877|0.125035|0.068665|0.056906|0.050392|0.079302|0.105937|0.094767|0.109255|0.129742|0.500000|
|2.422869|2.863724|5.910455|4.116993|4.797585|6.218546|8.346933|6.812975|6.723785|5.599680|4.461702|24.177907|3.247416|3.133335|2.591381|2.388673|3.697625|3.564528|0.066948|3.185311|3.632471|4.796002|4.863070|24.688138|5.782867|15.364448|7.908730|5.475544|8.773880|5.627668|5.037735|7.762039|8.950589|17.707950|0.061167|0.063543|0.068512|0.074856|0.083353|0.102754|0.128270|0.140380|0.108448|0.138650|0.237509|0.099795|0.076941|0.065366|0.118466|0.179964|0.164717|0.123219|0.108954|0.217575|0.500000|
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