Version2.4
2021-06-07T04:46:47Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
28-Mar-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1ccc(o1)[C@@H]2C(=C(C(=O)N2c3nc(c(s3)C(=O)OCC=C)C)[O-])C(=O)c4cc5ccccc5o4 C33370795
RHF
6-31G(d)
(6D,7F)
Cc1ccc(o1)[C@@H]2C(=C(C(=O)N2c3nc(c(s3)C(=O)OCC=C)C)[O-])C(=O)c4cc5ccccc5o4
C01[X(C26H19N2O7S1)]
159
C1
582
C=CCOC(=O)c1sc(nc1C)N1[C@H](c2ccc(o2)C)C(=C(C1=O)[O-])C(=O)c1cc2c(o1)cccc2
C=CCOC(=O)c1sc(nc1C)N1[C@H](c2ccc(o2)C)C(=C(C1=O)[O-])C(=O)c1cc2c(o1)cccc2
Cc1oc(cc1)[C@H]2N(C(=O)C(=C2C(=O)c3oc4ccccc4c3)[O-])c5sc(c(C)n5)C(=O)OCC=C
InChIKey=RMVMZUNCSORBHJ-HXUWFJFHSA-M
InChI=1S/C26H20N2O7S/c1-4-11-33-25(32)23-14(3)27-26(36-23)28-20(17-10-9-13(2)34-17)19(22(30)24(28)31)21(29)18-12-15-7-5-6-8-16(15)35-18/h4-10,12,20,30H,1,11H2,2-3H3/p-1/t20-/m1/s1
InChI=1/C26H20N2O7S/c1-4-11-33-25(32)23-14(3)27-26(36-23)28-20(17-10-9-13(2)34-17)19(22(30)24(28)31)21(29)18-12-15-7-5-6-8-16(15)35-18/h4-10,12,20,30H,1,11H2,2-3H3/p-1/t20-/m1/s1/fC26H19N2O7S/h30h/q-1
Cc1ccc(o1)[C@@H]2C(=C(C(=O)N2c3nc(c(s3)C(=O)OCC=C)C)[O-])C(=O)c4cc5ccccc5o4
C01[X(C26H19N2O7S1)]
159
C01
582
C=CCOC(=O)c1sc(nc1C)N1[C@H](c2ccc(o2)C)C(=C(C1=O)[O-])C(=O)c1cc2c(o1)cccc2
C=CCOC(=O)[C]1[C]([N][C](S1)N1C(=O)[C]([C]([C](=O)C2=[CH][C]3[C]([CH][CH][CH][CH]3)O2)[C@H]1C1=[CH][CH]=C(O1)C)=O)C
C[C]1[N][C](S[C]1C(=O)OCC=C)N2[C@@H]([C](C(=O)C2=O)C(=O)C3=C[C]4[CH][CH][CH][CH][C]4O3)c5oc(C)cc5
InChIKey=QSKCMRVAGSNVFH-HXUWFJFHSA-N
InChI=1S/C26H19N2O7S/c1-4-11-33-25(32)23-14(3)27-26(36-23)28-20(17-10-9-13(2)34-17)19(22(30)24(28)31)21(29)18-12-15-7-5-6-8-16(15)35-18/h4-10,12,20H,1,11H2,2-3H3/t20-/m1/s1
InChI=1/C26H19N2O7S/c1-4-11-33-25(32)23-14(3)27-26(36-23)28-20(17-10-9-13(2)34-17)19(22(30)24(28)31)21(29)18-12-15-7-5-6-8-16(15)35-18/h4-10,12,20H,1,11H2,2-3H3/t20-/m1/s1
3972.5597956185
-2026.0922868
1-A
19233.4619
131
451
582
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9.15329
6.0858 15.0493 6.3515
17.4316
|XX|YY|ZZ|XY|XZ|YZ|
-274.9830 -268.7883 -219.8639 -18.8136 -14.7916 -23.9752
|XX|YY|ZZ|XY|XZ|YZ|
-20.4379 -14.2433 34.6812 -18.8136 -14.7916 -23.9752
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-14.2769 279.9732 35.9545 128.1062 111.2702 76.8552 46.5745 4.0024 111.3136 42.6189
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-16205.8349 -9433.5633 -2510.4006 -333.0319 -185.0573 -130.0508 -377.1194 -79.0443 -57.3126 -4111.1637 -3024.5589 -2009.6213 -64.0864 -139.5676 56.7894
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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|
9.0130 18.6810 23.2520 26.6516 35.3200 37.5351 43.7261 56.0592 58.6092 70.2313 79.4509 83.8118 87.4335 94.3230 97.6682 122.2433 129.7526 156.7145 161.6133 178.4208 190.7641 201.3677 221.8015 234.0106 250.4256 262.5887 279.9319 291.8541 295.1346 319.9610 333.7833 350.8063 374.7681 384.0060 386.1625 391.2428 424.1746 434.3686 458.4603 464.6302 481.1725 512.1813 551.5155 557.5714 561.6610 613.3119 634.4903 636.4839 667.2644 670.0134 681.0104 689.4834 693.2434 705.7819 713.4628 729.0745 759.3852 768.7031 828.8829 832.7803 842.4943 845.8125 853.8350 860.7343 864.5535 884.7999 894.7900 901.0940 909.2775 914.1839 954.7659 959.5250 962.9216 974.0263 1017.5829 1023.0555 1047.6199 1055.2796 1066.1770 1075.8960 1080.9813 1086.8975 1091.2004 1103.7098 1110.2147 1124.0828 1131.6622 1138.5063 1147.4848 1159.4259 1174.8138 1175.6267 1209.6315 1222.1093 1230.3715 1248.0411 1276.0434 1283.5387 1291.3715 1310.5981 1324.0352 1333.7327 1355.3884 1366.0028 1371.2719 1379.7405 1393.1091 1398.3550 1413.9008 1421.3588 1437.6248 1456.9087 1461.4060 1481.4352 1515.9476 1535.4914 1542.7950 1547.7353 1562.2064 1570.9691 1606.1857 1614.0876 1618.6994 1626.9116 1635.4659 1638.7256 1639.8319 1642.4957 1658.0237 1748.6020 1760.9030 1766.2680 1787.7382 1808.8211 1812.6768 1824.1828 1886.1303 1949.8169 1956.0952 2047.9092 3205.6067 3220.2683 3248.3201 3261.1552 3271.1177 3281.0207 3285.2275 3299.4776 3328.0410 3346.5406 3354.1404 3362.9450 3365.6204 3375.7540 3389.9757 3408.4854 3424.3747 3450.6935 3470.6301
5.2093 5.6520 5.1598 5.2174 5.4623 4.7531 4.2153 6.1832 6.1066 3.8523 4.0415 4.5280 10.4295 1.3226 3.1763 6.2620 5.6603 1.3569 2.5444 5.9795 5.0492 5.9343 4.7707 5.4105 5.4371 5.2579 4.3658 5.0031 5.0577 7.1075 7.3879 7.2623 7.4549 4.8427 7.2537 5.6881 4.7639 6.0228 4.6212 4.7279 3.2385 5.6121 4.4508 9.9052 7.8219 5.2663 7.9795 3.5861 5.5628 6.9134 5.8491 3.7391 3.7897 2.2229 3.6761 7.1519 8.6018 8.4391 4.2722 2.9249 1.6108 5.2933 5.9540 9.3195 4.4733 6.8404 2.1753 2.1645 5.7678 5.6642 1.4708 1.6286 5.6522 1.5752 1.6083 5.3620 3.0924 1.3722 4.7127 1.4925 3.3923 1.6248 1.2786 1.8075 2.1250 2.2204 2.1480 3.1944 1.4769 2.6518 1.4865 1.5809 2.5449 1.6644 2.0088 5.8621 2.2414 2.0343 6.0963 3.8114 1.4555 4.7192 3.8627 3.7212 7.6833 2.6199 1.1042 3.5941 2.5772 3.0066 1.5228 2.0919 1.7773 4.7321 2.4055 1.4276 2.0626 2.3459 2.0339 1.5022 1.2605 1.3365 1.0440 2.6525 1.0465 1.1149 2.5740 3.8285 1.0938 6.5735 7.3554 7.5192 7.2956 6.7487 9.8122 6.2346 4.3864 12.3606 12.8173 13.1163 1.0365 1.0418 1.0599 1.1027 1.1011 1.0856 1.1028 1.1069 1.0612 1.0866 1.0957 1.0913 1.0988 1.0960 1.0966 1.1159 1.0966 1.1003 1.0983
0.0002 0.0012 0.0016 0.0022 0.0040 0.0039 0.0047 0.0114 0.0124 0.0112 0.0150 0.0187 0.0470 0.0069 0.0179 0.0551 0.0561 0.0196 0.0392 0.1122 0.1083 0.1418 0.1383 0.1746 0.2009 0.2136 0.2016 0.2511 0.2596 0.4287 0.4850 0.5266 0.6169 0.4207 0.6373 0.5130 0.5050 0.6695 0.5723 0.6014 0.4418 0.8674 0.7976 1.8143 1.4538 1.1671 1.8927 0.8559 1.4593 1.8286 1.5983 1.0473 1.0731 0.6524 1.1025 2.2398 2.9226 2.9381 1.7294 1.1951 0.6736 2.2311 2.5574 4.0680 1.9700 3.1552 1.0261 1.0355 2.8097 2.7890 0.7900 0.8834 3.0878 0.8805 0.9812 3.3066 1.9997 0.9003 3.1563 1.0179 2.3355 1.1309 0.8970 1.2973 1.5432 1.6530 1.6207 2.4396 1.1458 2.1003 1.2088 1.2874 2.1939 1.4646 1.7917 5.3798 2.1503 1.9746 5.9899 3.8572 1.5033 4.9460 4.1808 4.0911 8.5123 2.9386 1.2626 4.1407 3.0355 3.5787 1.8544 2.6161 2.2365 6.1189 3.2571 1.9832 2.8926 3.3109 2.9245 2.1843 1.9160 2.0515 1.6117 4.1366 1.6493 1.7640 4.0781 6.0853 1.7717 11.8421 13.4378 13.8209 13.7379 13.0096 18.9959 12.2235 9.1940 27.6872 28.8952 32.4102 6.2756 6.3652 6.5893 6.9093 6.9420 6.8857 7.0128 7.0998 6.9250 7.1699 7.2625 7.2713 7.3333 7.3589 7.4246 7.6380 7.5761 7.7189 7.7948
0.2271 0.2072 0.4378 0.2253 0.1726 0.3031 0.0369 1.7154 1.7911 0.8402 1.6845 3.1334 0.1622 0.3220 0.1801 0.4515 0.1909 0.1404 0.7710 1.7084 2.0396 5.9658 2.5990 2.7494 2.7446 1.9097 2.4525 3.3199 0.8659 3.2018 0.6868 2.5468 1.2395 32.0925 4.8921 1.7427 2.4956 7.6154 6.8714 2.8502 3.3679 6.8353 2.3033 21.8019 28.3673 5.3704 3.1413 0.2200 3.3574 4.0534 12.2277 2.2026 1.6624 9.3037 1.4433 14.8176 4.8198 23.3958 1.7370 3.9595 115.8174 16.4498 26.2127 27.7557 16.7306 19.9831 94.4733 7.8858 17.0945 28.0956 10.8609 3.0374 6.1686 3.8910 3.8528 3.1905 10.5804 5.3081 17.2143 49.6648 6.2587 21.1755 0.0147 28.2276 4.7535 56.5700 61.4691 97.3520 47.3450 3.5369 0.9244 3.6610 210.4370 40.4908 129.8019 217.3070 78.0391 4.6740 36.5390 51.5287 5.5510 34.5352 57.9126 171.9493 59.0708 158.2300 5.6876 205.2006 16.0038 1039.7723 249.1977 5.0148 51.7293 294.3688 226.9132 5.7088 384.4704 644.4245 449.4552 67.6629 36.2129 225.8741 4.0483 10.9354 4.3939 9.8055 14.4533 600.0282 5.2580 197.4145 20.4789 56.9542 65.2979 25.8632 305.4931 8.4219 3.1825 545.9022 625.7093 462.5195 42.1999 22.5145 29.8416 22.9551 17.8017 23.9136 26.7317 19.4894 20.3226 4.4600 6.2046 26.4511 4.6411 58.3110 15.2953 23.4020 18.3949 3.7360 0.7591
0.2116 1.0506 6.7323 2.1272 4.3245 1.3084 0.2739 2.5488 5.2040 4.6916 4.3285 0.8908 0.4198 1.5427 0.6732 4.0255 3.7499 0.6230 0.9467 0.7669 1.6216 0.3146 0.6111 1.0465 1.9257 3.4229 0.7290 0.8333 1.9309 0.5644 2.1629 2.7611 1.1806 2.7191 0.4370 0.4339 4.6721 1.7027 4.6497 2.5452 0.3004 1.4156 1.9222 1.1180 0.4430 17.1770 1.5758 0.2092 1.6869 12.0779 7.4097 5.1655 2.7626 8.8807 3.1665 1.4810 4.0355 1.5755 7.8459 2.4965 2.3433 1.9318 2.4553 1.4361 3.9121 16.5138 2.3377 0.7548 6.7157 5.6521 6.0956 11.3093 16.3408 5.1473 4.2343 12.9316 1.3813 0.5594 5.1982 2.4077 2.0764 2.3338 1.1772 3.7079 28.2857 0.8926 11.0775 6.4053 2.2018 49.9343 0.1782 2.5711 4.3446 26.5988 11.9690 4.9577 74.4823 3.0890 4.1208 5.9550 7.7015 29.8736 4.8951 93.8133 1.5170 30.6869 18.7700 29.0166 50.0630 175.0619 85.5622 28.0536 5.8424 113.5720 12.0850 9.2821 28.2640 66.0199 40.0500 12.3168 7.1889 97.4289 19.3063 39.8165 15.6663 25.4775 22.0877 295.9783 5.6427 68.9726 102.9323 474.1444 180.3263 219.5071 75.1462 6.7432 44.7420 49.1857 69.0565 69.0466 146.0430 162.7199 94.4268 76.4744 94.0684 40.5291 72.1209 46.8240 66.8574 66.6307 85.1036 124.8497 41.9981 176.3415 151.0363 69.2727 78.3286 55.5789 68.1597
0.5975 0.7019 0.7340 0.6994 0.7457 0.7073 0.7445 0.7268 0.7468 0.7500 0.7138 0.7442 0.6979 0.7151 0.5806 0.7439 0.7500 0.7498 0.6439 0.7376 0.3590 0.3823 0.5225 0.7467 0.6624 0.2949 0.4268 0.7235 0.6687 0.5400 0.7500 0.6845 0.4457 0.6225 0.6003 0.5856 0.1396 0.7496 0.2409 0.7439 0.4183 0.1154 0.1900 0.2972 0.7328 0.1943 0.7500 0.7489 0.6702 0.6217 0.5927 0.2449 0.4584 0.6993 0.5431 0.5244 0.5401 0.7463 0.6886 0.5957 0.6452 0.5265 0.4617 0.6937 0.3525 0.0743 0.1837 0.0896 0.2194 0.2035 0.5612 0.6805 0.2982 0.5679 0.3840 0.1596 0.2240 0.7336 0.4424 0.5068 0.1562 0.2626 0.7089 0.2763 0.1363 0.7484 0.1982 0.2797 0.3649 0.3244 0.7018 0.7500 0.3709 0.5705 0.4593 0.6159 0.1761 0.7172 0.7204 0.4105 0.1926 0.5083 0.1057 0.2255 0.7499 0.2790 0.6298 0.2426 0.6633 0.4845 0.3030 0.6547 0.7278 0.4543 0.3871 0.4603 0.7238 0.7055 0.2309 0.7442 0.7405 0.2571 0.7478 0.2488 0.7500 0.7497 0.7478 0.3071 0.7482 0.3334 0.4619 0.2247 0.2473 0.4564 0.6053 0.7167 0.1921 0.4464 0.2696 0.1771 0.0256 0.0796 0.0796 0.7438 0.7465 0.1108 0.7426 0.7362 0.1310 0.7334 0.2633 0.7245 0.6790 0.1731 0.1308 0.6091 0.4616 0.1643 0.3046
0.7480 0.8248 0.8466 0.8231 0.8543 0.8286 0.8535 0.8418 0.8550 0.8571 0.8330 0.8534 0.8220 0.8339 0.7347 0.8532 0.8571 0.8570 0.7834 0.8490 0.5284 0.5531 0.6864 0.8550 0.7969 0.4555 0.5983 0.8395 0.8014 0.7013 0.8571 0.8127 0.6166 0.7673 0.7502 0.7386 0.2450 0.8569 0.3882 0.8531 0.5898 0.2070 0.3193 0.4583 0.8458 0.3254 0.8571 0.8564 0.8026 0.7667 0.7443 0.3934 0.6286 0.8230 0.7039 0.6880 0.7014 0.8547 0.8156 0.7466 0.7844 0.6899 0.6317 0.8192 0.5212 0.1384 0.3103 0.1645 0.3599 0.3382 0.7190 0.8099 0.4594 0.7244 0.5549 0.2752 0.3660 0.8463 0.6135 0.6727 0.2701 0.4159 0.8296 0.4330 0.2400 0.8561 0.3308 0.4372 0.5347 0.4899 0.8248 0.8571 0.5411 0.7265 0.6295 0.7623 0.2995 0.8353 0.8375 0.5820 0.3231 0.6740 0.1912 0.3680 0.8571 0.4362 0.7729 0.3904 0.7976 0.6527 0.4651 0.7913 0.8425 0.6247 0.5582 0.6304 0.8397 0.8273 0.3752 0.8534 0.8509 0.4091 0.8557 0.3985 0.8571 0.8569 0.8557 0.4699 0.8560 0.5000 0.6320 0.3669 0.3966 0.6268 0.7541 0.8350 0.3223 0.6172 0.4247 0.3008 0.0499 0.1474 0.1475 0.8531 0.8548 0.1996 0.8523 0.8481 0.2317 0.8462 0.4169 0.8403 0.8088 0.2952 0.2313 0.7571 0.6316 0.2823 0.4670
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 6 6 6 8 6 1 6 6 6 8 7 6 7 6 6 16 6 8 8 6 6 6 6 8 6 8 6 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
12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 12.00000 31.97207 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 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
14736.4598 23476.1655 31753.4643
0.99999 -0.00179 -0.00380 0.00174 0.99992 -0.01257 0.00382 0.01256 0.99991
1
0.00588 0.00369 0.00273
0.12247 0.07688 0.05684
12.97 26.88 33.45 38.35 50.82 54.00 62.91 80.66 84.33 101.05 114.31 120.59 125.80 135.71 140.52 175.88 186.69 225.48 232.53 256.71 274.47 289.72 319.12 336.69 360.31 377.81 402.76 419.91 424.63 460.35 480.24 504.73 539.21 552.50 555.60 562.91 610.29 624.96 659.62 668.50 692.30 736.91 793.51 802.22 808.10 882.42 912.89 915.76 960.04 964.00 979.82 992.01 997.42 1015.46 1026.51 1048.98 1092.59 1105.99 1192.58 1198.19 1212.16 1216.94 1228.48 1238.40 1243.90 1273.03 1287.40 1296.47 1308.25 1315.31 1373.70 1380.54 1385.43 1401.41 1464.07 1471.95 1507.29 1518.31 1533.99 1547.97 1555.29 1563.80 1569.99 1587.99 1597.35 1617.30 1628.21 1638.06 1650.97 1668.16 1690.30 1691.46 1740.39 1758.34 1770.23 1795.65 1835.94 1846.73 1858.00 1885.66 1904.99 1918.94 1950.10 1965.37 1972.95 1985.14 2004.37 2011.92 2034.29 2045.02 2068.42 2096.17 2102.64 2131.45 2181.11 2209.23 2219.74 2226.85 2247.67 2260.27 2310.94 2322.31 2328.95 2340.76 2353.07 2357.76 2359.35 2363.18 2385.53 2515.85 2533.55 2541.27 2572.16 2602.49 2608.04 2624.59 2713.72 2805.35 2814.38 2946.48 4612.15 4633.25 4673.61 4692.07 4706.41 4720.66 4726.71 4747.21 4788.31 4814.93 4825.86 4838.53 4842.38 4856.96 4877.42 4904.05 4926.91 4964.78 4993.46
0.435498
0.466065
0.467010
0.367697
-2025.656789
-2025.626221
-2025.625277
-2025.724590
3.330974D-04
MUNgauss
RevisionA2.1
retrievium
07-Jun-2021
DUDE Cc1ccc(o1)[C@@H]2C(=C(C(=O)N2c3nc(c(s3)C(=O)OCC=C)C)[O-])C(=O)c4cc5ccccc5o4 C33370795
RHF
6-31G(d)
(6D,10F)
C1
503.091298
|X|Y|Z|
79.779296 104.523311 44.084264
71.635613
25
|36.858105|
|12.789106|36.858105|
|7.322869|14.213161|36.858105|
|5.143056|8.570274|13.207794|36.858105|
|5.334739|8.724957|8.561922|14.212558|36.858105|
|7.899817|14.159939|8.661559|8.659751|14.114522|73.516695|
|3.933123|5.305638|5.115422|7.278728|12.630021|13.900954|36.858105|
|3.367650|4.443605|4.640679|6.895464|9.048963|10.233832|17.629413|0.500000|
|3.605494|4.495308|4.161163|5.215800|7.518392|11.160559|12.546647|0.242412|36.858105|
|3.409838|3.955317|3.492645|4.044988|5.560160|9.650233|7.910306|0.165147|13.488762|36.858105|
|3.449316|3.995318|3.505049|4.051924|5.618028|9.846214|7.973418|0.167688|8.046690|12.371118|36.858105|
|3.105537|3.416360|2.997580|3.325441|4.296312|7.864584|5.398723|0.124980|5.427839|7.801783|16.108519|73.516695|
|3.703979|4.621339|4.214505|5.256458|7.797581|11.769830|12.914070|0.252800|8.117933|8.059795|13.570040|14.668695|53.358707|
|3.402673|4.145506|3.925803|4.770130|6.131581|9.482491|7.650122|0.195206|5.213120|5.170341|7.769658|11.725634|19.056960|36.858105|
|3.135415|3.583993|3.323724|3.753167|4.544230|7.762676|5.166565|0.132570|4.063144|4.328513|6.506401|11.940220|11.028658|14.774685|53.358707|
|2.775122|3.131113|3.018188|3.361865|3.781383|6.365336|4.081987|0.111523|3.262926|3.345567|4.477416|8.163633|7.394166|8.670201|19.058526|36.858105|
|2.699862|3.134152|3.169387|3.640088|3.906904|6.230797|4.152806|0.120492|3.209444|3.121970|3.938146|6.753945|6.871813|7.813802|11.244911|14.010431|36.858105|
|3.050148|3.785082|3.953080|5.035876|5.527603|7.862880|6.181366|0.194837|4.228660|3.831003|4.740882|7.380904|9.587652|10.902430|10.105378|7.485976|10.885879|388.023441|
|2.352481|2.675030|2.770467|3.100933|3.159960|5.094484|3.254598|0.096009|2.626444|2.534750|3.030812|5.249022|5.002063|4.916750|6.981805|7.495478|13.070018|48.238468|36.858105|
|2.142426|2.370260|2.423403|2.633873|2.685286|4.456683|2.747433|0.079532|2.294275|2.254560|2.673436|4.747817|4.225578|3.980121|5.955868|6.298942|8.027986|34.336746|15.929490|73.516695|
|2.291175|2.646734|2.839002|3.237571|3.169748|4.964200|3.226110|0.098555|2.592949|2.429197|2.802931|4.729383|4.669906|4.341533|5.658880|5.258826|8.254214|46.997639|14.285757|15.304817|73.516695|
|2.009468|2.271144|2.443881|2.708364|2.608332|4.168163|2.623025|0.079355|2.188166|2.060660|2.319945|3.958527|3.721847|3.282601|4.369925|3.914805|5.247818|31.621671|8.110309|12.895156|23.887231|36.858105|
|1.935314|2.204650|2.427140|2.715268|2.546012|4.006595|2.545323|0.078449|2.141743|1.978698|2.167852|3.644030|3.470536|2.940741|3.778227|3.190612|4.106277|28.298243|5.289269|8.279930|14.398606|12.716964|36.858105|
|1.850416|2.085268|2.315284|2.527973|2.327312|3.712096|2.275856|0.069206|1.944580|1.794835|1.938028|3.261086|3.060004|2.532582|3.268016|2.702648|3.325213|23.264317|4.078554|6.696382|9.773417|7.655948|14.461840|36.858105|
|2.458387|2.652744|2.530574|2.708790|2.984850|5.229191|3.149945|0.085278|2.677567|2.813203|3.626948|6.993511|5.431651|5.338365|10.671220|12.711809|7.420428|33.667913|5.967597|10.940436|7.547826|3.470897|2.804162|2.430861|36.858105|
|3.049102|3.353912|2.960900|3.283968|4.203925|7.642328|5.290282|0.121240|7.894769|15.816086|8.033149|11.929062|7.441072|4.013430|4.898487|2.877110|2.662743|22.121027|2.219136|3.577439|3.773641|1.835338|1.765190|1.614525|2.519305|73.516695|
|3.277462|3.987000|3.849830|4.686878|5.810046|8.869521|7.270241|0.178704|13.396307|7.632280|5.087094|6.995338|6.950390|3.820256|4.264090|2.652555|2.663367|24.227319|2.269824|3.567292|4.067994|1.979581|1.979424|1.824172|2.241240|11.086325|36.858105|
|2.989106|3.438669|3.262430|3.717717|4.394663|7.307732|5.089995|0.127392|8.098615|6.506909|4.329155|6.308869|5.530930|3.172008|3.698799|2.327257|2.306565|20.069901|1.997473|3.190127|3.559590|1.760307|1.759070|1.635121|2.018766|11.274567|15.693577|73.516695|
|3.064818|3.804601|3.992427|5.059543|5.490489|7.837006|6.152697|0.176321|7.475674|4.930222|3.905320|5.611629|5.788320|3.444589|3.838625|2.482049|2.582101|23.870280|2.254583|3.522982|4.158787|2.042189|2.093217|1.943388|2.094144|7.448312|12.592765|14.827353|36.858105|
|2.788484|3.333006|3.548800|4.183724|4.218761|6.437427|4.346967|0.123951|5.018951|3.781105|3.094477|4.636761|4.477540|2.789286|3.216728|2.126316|2.214074|19.695396|1.982064|3.138923|3.678970|1.846431|1.914327|1.807351|1.833210|6.083191|7.454704|11.998960|14.222860|36.858105|
|2.557032|3.065177|3.423809|4.079332|3.830531|5.724419|3.850299|0.116033|4.020004|3.129117|2.718788|4.141138|4.054062|2.633985|3.046195|2.062850|2.196547|19.565197|2.005213|3.166496|3.803252|1.928838|2.044561|1.945620|1.777804|5.007435|5.128085|8.073809|8.539201|13.188460|36.858105|
|2.259804|2.630941|2.950259|3.346718|3.077877|4.763435|3.031880|0.090549|3.108160|2.548108|2.270101|3.540637|3.351819|2.239881|2.648406|1.824997|1.947715|16.836891|1.815631|2.898351|3.464695|1.793461|1.924122|1.862016|1.596871|4.168550|3.752948|6.222695|5.270353|7.234393|13.671585|36.858105|
|2.100533|2.441622|2.783573|3.162221|2.844119|4.376579|2.792761|0.085140|2.751846|2.292653|2.104847|3.314597|3.150511|2.161332|2.567941|1.800404|1.950264|16.753034|1.849463|2.951381|3.588537|1.880895|2.060022|2.012994|1.577263|3.734308|3.151837|5.151777|4.202220|5.004377|7.983034|13.793855|36.858105|
|2.152526|2.547108|2.953219|3.480755|3.079859|4.603905|3.049788|0.096351|2.885088|2.383932|2.235293|3.506068|3.428189|2.389450|2.807924|1.987094|2.195433|19.208713|2.092911|3.300452|4.142386|2.163166|2.414951|2.344357|1.720111|3.816576|3.188766|5.041039|4.234493|4.563895|6.873504|7.871177|13.622733|36.858105|
|2.397710|2.924046|3.414475|4.304272|3.813393|5.430837|3.864968|0.128193|3.548283|2.827000|2.650508|4.075011|4.175604|2.879102|3.289577|2.302852|2.568900|23.545114|2.398238|3.712630|4.759857|2.414614|2.668864|2.520677|1.950696|4.412332|3.883215|5.851213|5.401909|5.311413|7.801951|6.739301|7.864973|13.779796|36.858105|
|2.646241|3.272628|3.747331|4.827103|4.451541|6.237969|4.594660|0.149637|4.442983|3.355871|3.004729|4.515652|4.680845|3.070554|3.460275|2.352133|2.560096|23.762003|2.323134|3.604415|4.477325|2.235490|2.390083|2.240804|1.985689|5.186786|5.252661|7.624071|8.732699|8.477890|13.703996|7.946245|6.983383|8.092490|13.780551|36.858105|
|2.947591|3.748692|4.155550|5.722435|5.804676|7.621615|6.603720|0.225530|6.395961|4.371157|3.805709|5.493876|6.072368|3.771930|4.095066|2.699280|2.906773|28.170042|2.546098|3.906864|4.813703|2.338226|2.434596|2.237177|2.232392|6.442355|7.576406|9.625577|13.951069|8.538621|8.489659|5.376691|4.690343|5.241255|7.832837|14.173412|73.516695|
|17.551805|8.935123|5.795524|4.482360|4.833731|12.476712|3.767476|0.088864|3.678382|3.540821|3.432122|5.503997|4.794101|3.135488|3.944973|2.538292|2.447288|19.656051|2.136274|3.479194|3.698307|1.836470|1.776837|1.698110|2.271791|5.776728|3.421328|5.707562|3.118763|2.868327|2.564340|2.261742|2.069146|2.087562|2.311391|2.593132|5.146341|0.500000|
|17.547020|8.929565|5.795998|4.482728|4.829929|12.460686|3.753695|0.089230|3.400953|3.348762|3.547468|5.844398|5.124096|3.557072|4.622978|2.996475|2.841644|22.052507|2.457902|4.013660|4.167459|2.048968|1.939987|1.845884|2.691650|5.352426|3.003896|4.889260|2.766062|2.495312|2.301736|2.044005|1.919290|1.982703|2.209728|2.407703|4.788662|0.301944|0.500000|
|17.579940|8.977705|6.837114|4.616550|4.424962|10.212769|3.346860|0.082580|3.073407|2.882009|2.904041|4.711765|4.263892|2.956686|3.744343|2.509914|2.481808|19.649320|2.217684|3.618535|3.883346|1.946062|1.889513|1.831509|2.253545|4.647763|2.879509|4.719115|2.784185|2.601573|2.438329|2.200244|2.064361|2.105673|2.305579|2.502829|4.814925|0.300293|0.300347|0.500000|
|6.323770|8.831721|17.784279|8.428094|5.836605|10.473434|4.016693|0.105433|3.405600|2.925797|2.930180|4.573167|4.668059|3.291790|3.913075|2.690779|2.851236|24.333868|2.578919|4.063613|4.759144|2.361620|2.375671|2.315148|2.307843|4.531784|3.260127|5.058040|3.466261|3.223970|3.210727|2.871731|2.756898|2.904378|3.245619|3.447285|6.442583|0.141176|0.141202|0.189645|0.500000|
|4.034110|5.842782|8.433554|17.809473|8.841913|10.476114|6.306658|0.191499|4.652180|3.602413|3.593459|5.326702|6.296195|4.366430|4.700556|3.200341|3.598298|36.155599|3.155869|4.721446|6.095601|2.884282|2.983365|2.779398|2.581947|5.283898|4.375513|6.196442|5.123578|4.314401|4.520727|3.715792|3.622839|4.175313|5.394077|5.751157|11.477089|0.100275|0.100266|0.104970|0.192743|0.500000|
|2.016668|2.249170|2.412878|2.604264|2.491564|4.061452|2.450279|0.072661|2.057429|1.950163|2.194371|3.769959|3.485822|3.056247|4.148686|3.723292|4.773940|28.130022|7.184730|12.841704|16.486723|17.619219|8.876293|7.211182|3.420422|3.104996|1.865408|2.967438|1.915558|1.744189|1.814380|1.696032|1.772799|2.014998|2.223203|2.075407|3.846401|0.050891|0.057494|0.054706|0.065516|0.075997|0.500000|
|1.847339|2.064591|2.187705|2.415983|2.371042|3.823054|2.432300|0.073267|2.066181|1.971636|2.223004|3.843647|3.498130|3.068373|4.174559|3.761521|4.828098|28.212282|7.328271|13.225000|16.580025|17.592841|8.900421|6.056218|3.461425|3.149605|1.871564|2.982027|1.914648|1.734746|1.802245|1.679473|1.755652|2.003389|2.222905|2.071885|3.860252|0.047351|0.052508|0.049538|0.058513|0.070812|0.302246|0.500000|
|1.916020|2.202449|2.428485|2.779280|2.620783|4.055228|2.678152|0.084373|2.256506|2.066162|2.246319|3.745704|3.607544|3.022400|3.804796|3.147800|4.043081|29.505506|4.899168|7.457332|12.951043|8.697610|17.682297|9.155596|2.720018|3.267049|2.094716|3.293827|2.236171|2.037028|2.193620|2.057489|2.217440|2.642380|2.953379|2.602500|4.697860|0.049223|0.052993|0.051640|0.065415|0.086105|0.172016|0.203704|0.500000|
|1.770705|1.995255|2.230804|2.437600|2.225426|3.538637|2.176317|0.066476|1.881642|1.725185|1.835165|3.074013|2.877521|2.332415|2.980910|2.410412|2.904680|21.057859|3.400428|5.578595|7.817501|5.487953|9.106531|17.715936|2.169547|2.769560|1.790415|2.862631|1.931693|1.816468|1.981840|1.921297|2.109111|2.474475|2.611467|2.277736|3.964373|0.045406|0.048634|0.048880|0.062415|0.075314|0.142474|0.130300|0.218218|0.500000|
|1.834743|2.041463|2.253279|2.404564|2.215089|3.594494|2.138472|0.063944|1.835676|1.708687|1.850845|3.136811|2.900387|2.403853|3.152214|2.622398|3.168754|21.509228|3.916603|6.677599|8.857651|6.938331|9.088545|17.691144|2.406628|2.744873|1.719144|2.754960|1.815723|1.694889|1.809205|1.735505|1.861251|2.132281|2.275607|2.055726|3.662660|0.046589|0.051142|0.050789|0.063148|0.072220|0.215744|0.154829|0.173458|0.289147|0.500000|
|2.277833|2.441649|2.315733|2.490075|2.775469|4.865854|3.013018|0.081478|2.637511|2.835954|3.670418|7.365712|5.238289|4.908219|9.641931|9.012054|5.859601|29.752516|4.837626|8.849856|6.510046|3.071941|2.545621|2.214479|17.559712|4.584902|2.209722|3.571114|2.042150|1.788321|1.723421|1.547544|1.522550|1.652122|1.869450|1.913829|3.834718|0.059467|0.068805|0.057850|0.058630|0.066105|0.082788|0.086990|0.069732|0.055572|0.060455|0.500000|
|2.250549|2.421156|2.355150|2.508528|2.687219|4.662557|2.795190|0.077185|2.388721|2.463641|3.055704|5.756125|4.601620|4.382298|7.744148|8.854409|6.951312|30.619107|6.731867|14.356853|8.136887|3.859845|3.003792|2.594255|17.685575|3.953409|2.041966|3.282861|1.941458|1.718128|1.686075|1.529353|1.524488|1.668502|1.876875|1.883623|3.706594|0.057653|0.067832|0.058242|0.060624|0.067499|0.107501|0.109195|0.079459|0.063476|0.072052|0.298941|0.500000|
|2.623609|2.765311|2.584925|2.693558|2.973678|5.394147|3.048360|0.080592|2.619365|2.778412|3.566030|6.955077|5.221367|4.908400|9.645408|9.006898|5.863373|29.771991|4.851445|8.879217|6.526232|3.078241|2.543784|2.256968|17.557041|4.459338|2.197023|3.542335|2.038984|1.794377|1.729223|1.555948|1.529018|1.653426|1.863945|1.911196|3.812047|0.067039|0.081620|0.066625|0.065573|0.070102|0.086319|0.083841|0.068074|0.056320|0.062782|0.303227|0.299046|0.500000|
|2.693658|3.109758|3.216151|3.601088|3.684882|5.934877|3.754169|0.103357|4.480820|3.574798|2.885270|4.394464|4.037259|2.520436|2.965609|1.958565|2.011970|17.437281|1.808232|2.894283|3.324078|1.681531|1.732330|1.644767|1.712882|5.989450|6.610625|12.558413|8.912610|17.832142|8.387367|6.102690|4.286011|3.780596|4.143520|5.786802|10.408625|0.078688|0.066892|0.070046|0.082139|0.100096|0.044418|0.044118|0.050831|0.045877|0.043156|0.046632|0.044579|0.046882|0.500000|
|2.151471|2.448695|2.694440|2.955781|2.759171|4.398440|2.706592|0.078947|2.834081|2.377620|2.105276|3.315182|3.050683|2.036601|2.439240|1.679321|1.773215|15.048237|1.656639|2.668274|3.132556|1.631738|1.738036|1.690733|1.485304|3.962942|3.438602|5.946848|4.546283|6.378456|8.853289|17.709499|8.903399|5.608621|4.881648|5.635961|7.705203|0.060535|0.054019|0.058501|0.073450|0.088461|0.043141|0.042656|0.051225|0.048379|0.044119|0.040115|0.039518|0.040404|0.170267|0.500000|
|1.920384|2.190347|2.475753|2.734476|2.471143|3.884895|2.415632|0.072692|2.386446|2.033864|1.881795|2.999294|2.789201|1.932597|2.328292|1.644514|1.775488|14.930897|1.702008|2.741490|3.297677|1.752353|1.924666|1.903783|1.456651|3.351967|2.695858|4.497272|3.424958|4.024988|5.661509|8.943696|17.705029|8.899264|5.625675|5.008257|6.592555|0.052626|0.048959|0.052905|0.069116|0.085536|0.046136|0.045613|0.057202|0.055804|0.049145|0.039101|0.039303|0.039310|0.100901|0.214939|0.500000|
|1.991559|2.327966|2.693340|3.114773|2.754557|4.173124|2.721436|0.085694|2.542996|2.148610|2.052077|3.258521|3.145844|2.239245|2.663845|1.914490|2.132198|18.289241|2.072369|3.284227|4.153262|2.210095|2.520361|2.482691|1.668959|3.458301|2.737131|4.370269|3.456433|3.630662|4.951786|5.626777|8.891513|17.708694|8.950241|5.709795|7.458356|0.053326|0.051416|0.054516|0.074599|0.103222|0.057128|0.056836|0.076939|0.074243|0.062271|0.044446|0.045372|0.044444|0.086561|0.123829|0.215814|0.500000|
|2.378636|2.914974|3.409577|4.390704|3.893359|5.459006|4.010867|0.138495|3.506919|2.827859|2.735991|4.217990|4.416275|3.134288|3.551705|2.522441|2.885423|27.011276|2.712451|4.136740|5.517045|2.773236|3.120441|2.895159|2.110100|4.367149|3.636399|5.424705|4.722226|4.345572|5.583886|4.883274|5.592240|8.839850|17.729561|8.878975|12.367572|0.062892|0.061695|0.063344|0.089504|0.157002|0.069753|0.070330|0.098189|0.083296|0.071235|0.055885|0.056667|0.055428|0.097343|0.106328|0.123476|0.213187|0.500000|
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