Version2.1
2020-12-26T20:48:54Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
06-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOC(=O)c1c(csc1NC(=O)C[NH+]2CCc3c(sc(c3C#N)N)C2)c4ccc(cc4)C C09821180
RHF
6-31G(d)
(6D,7F)
CCOC(=O)c1c(csc1NC(=O)C[NH+]2CCc3c(sc(c3C#N)N)C2)c4ccc(cc4)C
C01[X(C24H25N4O3S2)]
168
C1
553
CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)C[NH+]1CCc2c(C1)sc(c2C#N)N
CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)C[NH+]1CCc2c(C1)sc(c2C#N)N
CCOC(=O)c1c(NC(=O)C[NH+]2CCc3c(C2)sc(N)c3C#N)scc1c4ccc(C)cc4
InChIKey=OOFFBMHKIPPOFG-UHFFFAOYSA-O
InChI=1S/C24H24N4O3S2/c1-3-31-24(30)21-18(15-6-4-14(2)5-7-15)13-32-23(21)27-20(29)12-28-9-8-16-17(10-25)22(26)33-19(16)11-28/h4-7,13H,3,8-9,11-12,26H2,1-2H3,(H,27,29)/p+1
InChI=1/C24H24N4O3S2/c1-3-31-24(30)21-18(15-6-4-14(2)5-7-15)13-32-23(21)27-20(29)12-28-9-8-16-17(10-25)22(26)33-19(16)11-28/h4-7,13H,3,8-9,11-12,26H2,1-2H3,(H,27,29)/p+1/fC24H25N4O3S2/h27-28H/q+1
CCOC(=O)c1c(csc1NC(=O)C[NH+]2CCc3c(sc(c3C#N)N)C2)c4ccc(cc4)C
C01[X(C24H25N4O3S2)]
168
C01
553
CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)C[NH+]1CCc2c(C1)sc(c2C#N)N
CCOC(=O)[C]1[C](SC=[C]1[C]1[CH][CH][C]([CH][CH]1)C)[NH][C](=O)C[NH]1CC[C]2=C(C1)S[C]([C]2C#N)N
CCOC(=O)[C]1[C](NC(=O)C[NH]2CCC3=C(C2)S[C](N)[C]3C#N)SC=C1[C]4[CH][CH][C](C)[CH][CH]4
InChIKey=QCFJTOMFTBJQCF-UHFFFAOYSA-N
InChI=1S/C24H25N4O3S2/c1-3-31-24(30)21-18(15-6-4-14(2)5-7-15)13-32-23(21)27-20(29)12-28-9-8-16-17(10-25)22(26)33-19(16)11-28/h4-7,13,28H,3,8-9,11-12,26H2,1-2H3,(H,27,29)
InChI=1/C24H25N4O3S2/c1-3-31-24(30)21-18(15-6-4-14(2)5-7-15)13-32-23(21)27-20(29)12-28-9-8-16-17(10-25)22(26)33-19(16)11-28/h4-7,13,28H,3,8-9,11-12,26H2,1-2H3,(H,27,29)/f/h27H
3458.9728104615
-2160.6255046
1-A
30811.3925
126
427
553
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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10.23221
9.4997 6.8898 -1.6023
11.8440
|XX|YY|ZZ|XY|XZ|YZ|
-54.0243 -200.3297 -196.9442 25.5603 -26.5726 2.9287
|XX|YY|ZZ|XY|XZ|YZ|
96.4084 -49.8969 -46.5115 25.5603 -26.5726 2.9287
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
412.9533 75.0681 -1.9773 -92.5344 214.0096 -252.0222 -27.6625 26.5782 -24.6580 17.8087
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-26449.4539 -2819.5196 -1074.2534 1223.4843 -2735.8858 64.9897 104.2430 -123.4286 24.8012 -7187.7173 -6393.4019 -689.9836 330.3275 -215.3771 135.8647
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168
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8.5742 10.6023 19.4419 21.6869 27.9194 34.5583 43.5871 48.4663 64.9147 81.5767 88.2077 102.8499 107.8943 113.0060 121.0184 128.4937 136.6413 152.4909 177.4741 179.9610 190.6167 203.6112 224.5452 241.1370 260.6631 276.5772 286.3149 305.1156 320.3343 329.4016 334.5157 336.8216 357.0478 394.7504 404.8047 408.9882 412.6127 416.2446 442.5398 444.5937 455.4724 496.1089 509.0001 519.1406 549.0744 555.3101 596.0186 596.9561 608.2894 612.9551 625.5745 646.0179 656.9946 684.5052 695.9384 710.7804 753.4301 755.9090 799.0186 803.3909 826.6442 838.0642 856.2164 876.5886 877.7124 893.0141 895.3810 904.8807 907.7889 914.6372 935.5424 950.3590 954.4764 980.0671 1026.0680 1044.0441 1052.1905 1070.5878 1082.6506 1083.7812 1092.5090 1097.9591 1098.3259 1118.6687 1119.8800 1151.4499 1173.1166 1174.3677 1195.2734 1197.5955 1217.0603 1234.9816 1250.4055 1251.6964 1295.7291 1296.8659 1303.1689 1309.2417 1310.1451 1325.4077 1327.4454 1347.0762 1359.4262 1395.5867 1423.8418 1424.7576 1429.1669 1457.2018 1460.4660 1469.3684 1485.4738 1511.6886 1516.4093 1533.4776 1553.7573 1561.9496 1566.9368 1568.8466 1575.9112 1581.7698 1591.8412 1615.1259 1621.5599 1627.8150 1630.0557 1632.0852 1637.6333 1638.1414 1639.7462 1640.7348 1659.0235 1668.2235 1668.5632 1685.9210 1739.4865 1763.9714 1777.9327 1807.4026 1824.9149 1827.1063 1905.5183 1941.3101 2587.8565 3207.5048 3224.1062 3228.3100 3243.2262 3262.8644 3268.8234 3270.3968 3274.1372 3284.4533 3287.0375 3294.4772 3297.0259 3299.7434 3328.0395 3332.8679 3351.6933 3351.7684 3358.5495 3371.9196 3378.1890 3445.7748 3612.2739 3685.3660 3818.0088 3941.9711
3.6541 6.6378 5.5685 1.5819 2.8015 3.4081 4.8288 4.4692 4.7793 3.9944 5.0250 4.3556 3.6123 5.4674 6.2309 6.0296 5.9020 4.9543 3.9941 3.7455 4.4527 1.1906 4.5108 4.6950 3.6048 1.3140 4.7568 4.1565 4.6033 4.5100 4.0004 4.2476 3.1433 5.5331 1.0944 6.0162 3.7858 4.1460 5.6597 4.8455 2.9573 9.6228 3.1002 4.8908 10.3645 3.8998 5.1202 4.5096 6.2465 4.5894 5.3010 4.2406 4.1280 4.9547 7.2028 5.4374 7.5667 5.3544 3.7591 4.4609 4.8893 1.2219 5.3806 3.1421 1.3463 3.2127 2.9041 1.7172 2.3656 2.2791 2.1129 3.5496 1.2490 2.8606 3.3978 3.0553 3.0557 3.1618 1.7394 1.3591 1.5409 3.9291 1.3675 2.8326 2.8421 4.2844 2.8996 1.5447 2.1293 2.5347 2.4497 2.4934 2.6135 2.8884 2.4890 1.5570 1.4070 1.5779 1.1651 2.4846 2.1745 1.4496 1.9029 1.6301 2.3892 1.0946 1.6040 1.5992 1.3534 2.6422 1.4862 2.4173 2.8423 1.3618 1.6953 2.3194 1.5032 1.2662 2.9282 1.6184 1.5553 2.0148 1.3948 1.0393 1.1325 1.0504 1.1121 1.2655 1.0702 1.0921 1.1402 4.1160 1.1370 2.7182 5.6923 5.5017 2.7006 7.9591 5.6348 1.2112 8.6788 8.9122 12.6848 1.0383 1.0367 1.0663 1.0607 1.1014 1.0610 1.0637 1.0843 1.0777 1.1029 1.1006 1.1091 1.1058 1.1105 1.1087 1.1094 1.0891 1.0893 1.0959 1.0960 1.0959 1.0775 1.0818 1.0477 1.1053
0.0002 0.0004 0.0012 0.0004 0.0013 0.0024 0.0054 0.0062 0.0119 0.0157 0.0230 0.0271 0.0248 0.0411 0.0538 0.0587 0.0649 0.0679 0.0741 0.0715 0.0953 0.0291 0.1340 0.1608 0.1443 0.0592 0.2298 0.2280 0.2783 0.2883 0.2637 0.2839 0.2361 0.5080 0.1057 0.5929 0.3797 0.4232 0.6531 0.5643 0.3615 1.3954 0.4732 0.7766 1.8410 0.7085 1.0717 0.9468 1.3618 1.0159 1.2223 1.0427 1.0498 1.3678 2.0554 1.6185 2.5307 1.8026 1.4140 1.6964 1.9685 0.5057 2.3241 1.4225 0.6111 1.5095 1.3717 0.8284 1.1486 1.1233 1.0896 1.8889 0.6704 1.6189 2.1077 1.9622 1.9932 2.1351 1.2013 0.9406 1.0836 2.7907 0.9719 2.0885 2.1000 3.3468 2.3511 1.2552 1.7923 2.1419 2.1379 2.2406 2.4075 2.6663 2.4621 1.5429 1.4078 1.5936 1.1783 2.5716 2.2576 1.5498 2.0719 1.8706 2.8538 1.3092 1.9302 2.0008 1.7008 3.3610 1.9322 3.2547 3.8508 1.8867 2.4114 3.3339 2.1745 1.8361 4.2847 2.3857 2.3220 3.0967 2.1609 1.6226 1.7729 1.6485 1.7572 2.0008 1.6954 1.7322 1.8490 6.7488 1.8650 4.5521 10.1480 10.0863 5.0298 15.3188 11.0563 2.3824 18.5668 19.7890 50.0511 6.2936 6.3495 6.5476 6.5735 6.9089 6.6796 6.7032 6.8484 6.8499 7.0210 7.0382 7.1034 7.0941 7.2468 7.2564 7.3430 7.2089 7.2392 7.3415 7.3691 7.6666 8.2839 8.6572 8.9981 10.1193
0.6985 0.1848 0.0859 0.0877 0.7251 0.3825 1.3067 0.8620 0.4395 1.0206 4.6383 0.7995 1.2535 6.7274 5.8525 1.9510 7.1002 5.5535 0.8454 0.9228 1.3230 342.5151 3.3522 3.1269 3.0722 0.3559 5.8071 8.0352 24.9862 1.7180 1.5211 2.4888 10.3178 10.6018 57.9057 4.2975 9.9092 2.1779 6.6568 17.9439 0.0514 2.3036 30.6270 8.5156 3.8839 1.2261 5.6476 5.9452 3.5975 0.3353 2.9556 11.6983 8.5379 0.6611 0.1533 0.2444 9.7375 10.7969 8.3312 12.7795 2.0832 50.4206 1.7948 1.1985 16.6768 16.4439 18.3999 27.5509 22.6443 4.1437 37.6249 11.2898 0.1595 25.2303 73.6922 5.4712 7.8583 14.8227 7.0316 0.5323 0.2086 54.5706 0.0863 0.9616 3.2484 57.7833 1.3832 7.1161 8.6043 8.6890 18.6643 24.7339 4.0367 4.2418 0.5516 6.7318 7.7606 3.5825 1.9870 4.2652 5.0652 6.4641 10.9859 87.8417 155.5368 1.9723 54.9090 176.3399 9.6084 551.3278 503.1864 11.5899 73.3044 26.1144 82.7523 4.4253 118.8637 8.2792 141.3162 52.4528 22.1702 87.3507 126.0255 7.1529 4.2379 5.5609 15.3953 117.6954 14.6325 4.5868 13.5546 301.8368 7.8553 46.7488 124.3701 6.7329 1063.3782 34.0859 2.9643 225.2402 273.5832 368.5244 71.8085 37.3440 16.8101 3.6154 16.6316 24.4914 14.1426 3.4875 2.9201 4.8903 20.8094 34.8624 4.1450 4.5497 38.9626 0.3313 5.6118 13.1170 13.1783 26.6094 10.0914 3.1414 120.8395 310.1718 192.3086 92.6547
3.7308 1.2016 1.1452 1.8774 4.7461 3.2572 0.0532 4.1908 0.9883 0.1517 0.9859 0.6923 0.5055 1.0191 2.0357 1.3279 1.1474 2.8512 0.4668 0.7104 0.4395 1.3491 0.8573 0.7876 0.3840 0.1224 3.2404 1.2654 3.5361 0.4595 0.3042 1.7438 0.8950 7.7757 2.1894 2.7684 2.6073 0.5862 1.3237 0.8561 0.1768 5.1026 2.3270 6.5201 5.9830 2.5158 1.9100 2.6062 6.7703 4.9363 0.8977 3.3412 6.6821 10.9162 2.6108 5.2084 1.8122 4.4894 3.4203 1.3042 15.2389 0.5189 17.1800 4.2916 0.5196 6.6028 2.6866 1.5873 2.0568 0.7460 3.4226 6.6733 3.0779 6.9551 8.1105 5.4638 10.1525 4.9328 2.4458 2.9658 2.5108 2.4390 0.3181 1.1948 0.4949 4.2262 12.3454 0.2828 4.0056 19.8777 2.1144 3.4178 7.9454 12.7011 0.7646 0.9724 4.0261 7.9808 3.8486 20.5620 9.3416 4.2290 13.8995 46.0945 2.9554 10.5731 43.3787 28.7146 17.9015 11.6364 10.2756 10.2799 50.9535 12.0185 75.5507 1.2755 34.5685 21.4833 31.7163 67.1980 9.8696 81.7781 36.9125 16.8554 11.7058 21.3955 13.2712 6.9839 20.4164 11.4121 21.5469 73.0075 8.1298 7.8281 43.8431 4.6993 34.8438 30.9147 112.5435 23.3772 8.5112 81.7626 214.8723 196.9321 107.9852 86.7714 103.8737 105.4211 82.5661 52.2133 61.7258 97.9691 66.2081 78.3398 53.5244 70.6290 11.8592 30.3746 76.6289 51.4029 63.5632 60.9524 159.6079 83.5502 34.0265 77.7590 142.0770 56.2609
0.7420 0.7464 0.7490 0.7418 0.7362 0.7309 0.7474 0.7483 0.7497 0.7475 0.7492 0.6173 0.7041 0.7478 0.7495 0.7205 0.4254 0.3900 0.6897 0.4591 0.6936 0.7414 0.7384 0.4011 0.6225 0.5781 0.7123 0.5466 0.4684 0.7346 0.7099 0.5343 0.1051 0.2061 0.7395 0.5963 0.5034 0.5965 0.2103 0.4970 0.4568 0.4494 0.6953 0.7364 0.7457 0.5212 0.6338 0.7186 0.1882 0.3500 0.7302 0.7359 0.5345 0.1229 0.7293 0.5908 0.6522 0.7241 0.6542 0.5617 0.1911 0.6650 0.1248 0.6060 0.7384 0.1191 0.5032 0.6275 0.4814 0.3296 0.1149 0.1749 0.6837 0.4944 0.2989 0.1662 0.1655 0.7082 0.7014 0.7084 0.6217 0.2097 0.4494 0.3141 0.5869 0.7126 0.3730 0.4848 0.3084 0.2865 0.6282 0.7196 0.2946 0.1473 0.5022 0.7207 0.2746 0.7499 0.2397 0.0732 0.6487 0.1664 0.5789 0.4253 0.5200 0.7493 0.4518 0.4505 0.4284 0.6470 0.6031 0.7497 0.5870 0.3166 0.2780 0.5010 0.1799 0.4432 0.7432 0.2056 0.7175 0.1886 0.1423 0.7468 0.6263 0.7448 0.7485 0.3710 0.7487 0.6449 0.5272 0.2088 0.4175 0.6587 0.3785 0.7428 0.2370 0.4096 0.4578 0.3977 0.3068 0.2590 0.3134 0.0580 0.0669 0.1033 0.1063 0.7500 0.1297 0.1022 0.3896 0.0884 0.7497 0.5927 0.7248 0.7456 0.7499 0.7385 0.5145 0.6569 0.6740 0.1650 0.1695 0.3020 0.1407 0.1593 0.1741 0.6734
0.8519 0.8548 0.8565 0.8517 0.8481 0.8445 0.8554 0.8560 0.8570 0.8555 0.8566 0.7634 0.8264 0.8557 0.8568 0.8375 0.5969 0.5611 0.8164 0.6293 0.8191 0.8515 0.8495 0.5725 0.7674 0.7327 0.8320 0.7068 0.6380 0.8470 0.8303 0.6965 0.1901 0.3418 0.8503 0.7471 0.6697 0.7473 0.3475 0.6640 0.6272 0.6201 0.8203 0.8482 0.8543 0.6853 0.7758 0.8363 0.3167 0.5185 0.8440 0.8479 0.6966 0.2189 0.8434 0.7428 0.7895 0.8400 0.7909 0.7193 0.3209 0.7988 0.2219 0.7547 0.8495 0.2129 0.6695 0.7711 0.6499 0.4958 0.2061 0.2978 0.8121 0.6617 0.4602 0.2850 0.2840 0.8291 0.8245 0.8293 0.7667 0.3467 0.6201 0.4781 0.7397 0.8322 0.5433 0.6530 0.4715 0.4454 0.7717 0.8369 0.4552 0.2567 0.6686 0.8377 0.4309 0.8571 0.3867 0.1365 0.7870 0.2854 0.7333 0.5967 0.6842 0.8567 0.6224 0.6212 0.5998 0.7857 0.7524 0.8570 0.7398 0.4810 0.4350 0.6675 0.3050 0.6142 0.8527 0.3411 0.8355 0.3173 0.2491 0.8551 0.7702 0.8537 0.8561 0.5413 0.8563 0.7841 0.6904 0.3455 0.5890 0.7943 0.5491 0.8524 0.3832 0.5811 0.6281 0.5690 0.4696 0.4115 0.4772 0.1096 0.1254 0.1873 0.1922 0.8571 0.2296 0.1854 0.5607 0.1624 0.8570 0.7443 0.8404 0.8542 0.8571 0.8496 0.6794 0.7929 0.8052 0.2833 0.2898 0.4640 0.2468 0.2748 0.2965 0.8048
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58
6 6 8 6 8 6 6 6 16 6 7 6 8 6 7 1 6 6 6 6 16 6 6 6 7 7 6 6 6 6 6 6 6 6 1 1 1 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 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783
4910.9325 53261.0044 55791.8199
1.00000 -0.00152 -0.00115 0.00153 0.99996 0.00866 0.00113 -0.00867 0.99996
1
0.01764 0.00163 0.00155
0.36749 0.03388 0.03235
12.34 15.25 27.97 31.20 40.17 49.72 62.71 69.73 93.40 117.37 126.91 147.98 155.24 162.59 174.12 184.87 196.60 219.40 255.35 258.92 274.25 292.95 323.07 346.94 375.04 397.93 411.94 438.99 460.89 473.94 481.29 484.61 513.71 567.96 582.42 588.44 593.66 598.88 636.72 639.67 655.32 713.79 732.34 746.93 790.00 798.97 857.54 858.89 875.19 881.91 900.06 929.48 945.27 984.85 1001.30 1022.65 1084.02 1087.58 1149.61 1155.90 1189.36 1205.79 1231.90 1261.22 1262.83 1284.85 1288.25 1301.92 1306.11 1315.96 1346.04 1367.35 1373.28 1410.10 1476.28 1502.15 1513.87 1540.34 1557.69 1559.32 1571.88 1579.72 1580.25 1609.51 1611.26 1656.68 1687.85 1689.65 1719.73 1723.07 1751.08 1776.86 1799.05 1800.91 1864.27 1865.90 1874.97 1883.71 1885.01 1906.97 1909.90 1938.14 1955.91 2007.94 2048.59 2049.91 2056.25 2096.59 2101.28 2114.09 2137.27 2174.98 2181.77 2206.33 2235.51 2247.30 2254.47 2257.22 2267.38 2275.81 2290.30 2323.81 2333.06 2342.06 2345.29 2348.21 2356.19 2356.92 2359.23 2360.65 2386.96 2400.20 2400.69 2425.66 2502.73 2537.96 2558.05 2600.45 2625.65 2628.80 2741.62 2793.11 3723.35 4614.88 4638.77 4644.82 4666.28 4694.53 4703.11 4705.37 4710.75 4725.60 4729.31 4740.02 4743.68 4747.59 4788.31 4795.25 4822.34 4822.45 4832.20 4851.44 4860.46 4957.70 5197.26 5302.42 5493.26 5671.62
0.497042
0.527637
0.528581
0.428813
-2160.128463
-2160.097868
-2160.096924
-2160.196692
3.346235D-04
MUNgauss
RevisionA2.0
retrievium
26-Dec-2020
DUDE CCOC(=O)c1c(csc1NC(=O)C[NH+]2CCc3c(sc(c3C#N)N)C2)c4ccc(cc4)C C09821180
RHF
6-31G(d)
(6D,10F)
C1
481.136809
|X|Y|Z|
46.719609 28.665152 166.753893
60.670347
23
|36.858105|
|12.594984|36.858105|
|8.029707|13.272601|73.516695|
|5.292764|8.093512|26.087323|36.858105|
|4.611770|7.160725|15.366948|15.769860|73.516695|
|4.064400|5.171534|14.479930|12.845353|14.326156|36.858105|
|3.854500|4.389850|11.651666|7.225221|9.103117|13.086727|36.858105|
|3.033372|3.373362|8.040296|5.094121|7.255829|8.248091|14.188277|36.858105|
|2.644594|3.044126|6.914017|4.768443|7.465899|7.390273|7.378599|11.026264|388.023441|
|3.194871|3.950736|9.428417|7.697504|11.944665|13.960163|8.158164|7.786911|78.723437|36.858105|
|2.938123|3.705714|8.090469|6.567812|12.817994|7.818507|5.183601|4.979850|49.266997|13.631511|53.358707|
|2.442942|2.962960|6.141542|4.506553|8.787524|5.172715|3.993642|4.118464|42.824857|7.808240|19.481282|36.858105|
|2.194578|2.579628|5.343457|3.742154|6.904950|4.478979|3.763841|4.151589|46.538768|6.582783|11.438932|15.843376|73.516695|
|2.274669|2.756957|5.407063|3.821635|7.946649|3.944888|3.133409|3.127854|28.895316|5.060603|10.755195|12.448969|14.387418|36.858105|
|1.938332|2.276469|4.413425|2.985279|5.930340|3.142154|2.648440|2.725172|25.046340|3.917881|7.131598|7.834402|13.068238|12.819846|53.358707|
|1.890817|2.198625|4.322751|2.911119|5.613928|3.168447|2.721450|2.875130|27.312333|4.038694|7.062982|8.112408|16.510819|9.514412|25.558328|0.500000|
|1.850654|2.154447|4.158478|2.775305|5.449900|2.921342|2.507767|2.586164|23.289907|3.558620|6.131930|6.049616|10.588623|7.663816|17.192769|0.259632|36.858105|
|1.623103|1.848848|3.551775|2.309004|4.413396|2.455100|2.187907|2.297127|20.343412|2.925244|4.705444|4.412119|8.476714|5.002431|10.425647|0.204935|12.512817|36.858105|
|1.516735|1.717232|3.256761|2.092587|4.014494|2.191241|1.962576|2.046070|17.749060|2.563478|4.100342|3.763054|7.079784|4.465995|9.269395|0.181909|7.661956|12.669906|36.858105|
|1.570847|1.789454|3.373036|2.174883|4.227776|2.247115|1.987806|2.049998|17.729664|2.624319|4.286648|3.952133|7.158026|5.043480|10.663583|0.196903|6.843725|7.656309|14.234209|36.858105|
|1.405787|1.578219|2.937821|1.855440|3.571676|1.899564|1.710678|1.758922|14.770493|2.159608|3.407309|2.978152|5.393007|3.586488|6.346476|0.124806|4.212246|4.733480|7.407653|10.879408|388.023441|
|1.304336|1.451325|2.711813|1.701039|3.230834|1.760159|1.609276|1.670666|13.971496|1.994725|3.078318|2.667209|4.961762|3.053735|5.379078|0.109054|3.977102|5.050005|8.145484|7.645302|77.825304|36.858105|
|1.360894|1.520019|2.863240|1.808840|3.429481|1.889985|1.725186|1.802471|15.275123|2.166187|3.354574|2.954104|5.587008|3.347007|6.148429|0.125349|4.938607|7.302206|13.234922|8.220679|52.609045|13.907900|36.858105|
|1.284544|1.422829|2.683282|1.681216|3.151767|1.766555|1.635375|1.718280|14.404318|2.007285|3.038567|2.619605|5.006041|2.846006|4.956979|0.102583|4.169314|6.131848|7.510300|5.189233|34.237863|7.755260|13.346647|36.858105|
|1.224123|1.346859|2.539435|1.579814|2.938510|1.663935|1.556721|1.639972|13.593878|1.874616|2.791582|2.364635|4.526976|2.508052|4.207810|0.087482|3.559633|4.937599|5.314088|3.983143|26.694413|5.443740|7.426617|16.742943|53.358707|
|1.195831|1.318362|2.450481|1.520103|2.867375|1.568368|1.449567|1.503435|12.365758|1.753358|2.658910|2.250581|4.176991|2.517643|4.211589|0.085967|3.120222|3.801960|5.233349|5.007174|50.414989|14.204817|7.819989|6.409166|6.924505|53.358707|
|1.775288|2.059971|3.893507|2.561575|5.099372|2.618571|2.250407|2.290624|20.068605|3.105043|5.348953|5.110078|8.616280|7.667729|17.312142|0.256575|7.664265|6.333017|7.555008|12.733475|47.556475|4.807260|5.065910|3.782112|4.247008|4.942851|36.858105|
|4.435875|4.576111|11.706408|5.829836|7.575373|7.204818|12.749845|7.695254|33.752726|5.046325|5.137223|3.066042|5.168033|2.555212|3.005050|0.062433|2.115513|1.877188|1.705591|1.726593|10.765354|1.430963|1.522239|1.453116|1.895421|1.773315|1.928627|36.858105|
|4.281113|4.130771|9.613622|4.656531|6.418173|5.297918|7.616138|5.871197|28.173390|4.070101|4.371785|2.694380|4.589404|2.296031|2.730933|0.056982|1.900288|1.707859|1.576754|1.606873|10.167932|1.347455|1.419691|1.353612|1.766156|1.680492|1.786730|13.754064|36.858105|
|4.197592|3.719910|7.861294|3.707976|5.366191|3.928459|5.040641|4.218891|22.047889|3.170548|3.581973|2.264226|3.871600|1.982620|2.393267|0.049669|1.681757|1.526830|1.418330|1.442198|9.225708|1.228551|1.289344|1.235873|1.620187|1.543155|1.587704|7.909490|13.728436|36.858105|
|4.244193|3.635357|7.409631|3.460808|5.086193|3.570385|4.427639|3.728626|20.029643|2.904183|3.336431|2.119853|3.617579|1.875310|2.277273|0.046941|1.624797|1.477184|1.365919|1.380277|8.826451|1.182801|1.245098|1.200158|1.579912|1.488476|1.511023|6.781625|7.885458|13.737595|36.858105|
|4.408528|3.940606|8.292618|3.885490|5.623876|4.033269|5.041318|4.111132|21.843395|3.214632|3.651504|2.292196|3.889658|2.012303|2.432820|0.049930|1.756022|1.584906|1.448894|1.455658|9.217877|1.239294|1.313973|1.269232|1.672154|1.553199|1.596011|7.911813|6.908796|7.994965|13.670439|36.858105|
|4.508705|4.440293|10.431942|5.018843|6.869078|5.553581|7.594018|5.576673|27.704182|4.158336|4.495256|2.739316|4.615046|2.340831|2.788317|0.057336|2.008281|1.789336|1.618223|1.624698|10.152645|1.361045|1.452077|1.397165|1.833300|1.692771|1.797579|13.694271|7.979751|6.907305|7.884137|13.794262|36.858105|
|3.614821|3.026813|5.785222|2.764614|4.230239|2.791042|3.277244|2.894389|16.408727|2.361920|2.799910|1.816387|3.115014|1.637054|2.013040|0.041404|1.442854|1.324520|1.233376|1.245184|8.042478|1.081702|1.133867|1.097179|1.449599|1.369957|1.351800|4.410042|5.003711|7.536529|12.609477|7.548988|5.013752|36.858105|
|17.563115|8.921719|10.206064|4.281917|7.098555|3.367538|3.171639|2.593399|16.509898|2.767478|3.565251|2.225220|3.561256|2.117855|2.478461|0.049077|1.743449|1.535957|1.445506|1.500537|9.625267|1.254825|1.303220|1.230180|1.596554|1.571740|1.689469|3.543903|3.472491|3.485246|3.564761|3.648848|3.636694|3.214032|0.500000|
|17.587244|8.859764|12.885316|4.931745|7.477406|3.997541|3.932221|3.105182|18.923409|3.148012|3.880753|2.385595|3.848922|2.203058|2.567156|0.051568|1.783419|1.575399|1.480056|1.536584|9.831223|1.280988|1.331922|1.256366|1.629385|1.601777|1.733484|4.656750|4.864921|4.854483|4.627490|4.460266|4.470459|3.906657|0.300534|0.500000|
|17.592889|8.859237|12.885226|4.922725|7.455303|3.989646|3.948829|3.099969|18.786270|3.123637|3.841254|2.358374|3.807596|2.174325|2.549104|0.050907|1.812521|1.597740|1.482327|1.521077|9.661509|1.272035|1.333752|1.267579|1.651761|1.589588|1.704165|4.779250|4.461024|4.532446|4.947821|5.418505|5.304566|4.165424|0.300443|0.301265|0.500000|
|8.800357|17.631769|16.508951|7.262807|12.927257|4.758864|3.949443|3.141533|20.856385|3.823608|5.075385|3.011073|4.615656|2.863543|3.186798|0.062561|2.175157|1.861833|1.749525|1.845901|11.631301|1.486910|1.545956|1.435540|1.840265|1.836899|2.146710|3.952162|3.720780|3.336569|3.163831|3.310035|3.683901|2.693919|0.211452|0.211151|0.172955|0.500000|
|8.798507|17.629761|16.508879|7.235391|12.818616|4.745869|3.966167|3.136128|20.674326|3.780566|4.988791|2.957324|4.545406|2.801771|3.152867|0.061399|2.228715|1.899105|1.753415|1.819410|11.354558|1.473091|1.548927|1.452394|1.872729|1.818737|2.092091|4.025733|3.530495|3.226147|3.260110|3.648607|4.108949|2.773969|0.211376|0.172933|0.211061|0.301888|0.500000|
|2.742811|2.939129|6.699783|4.025539|5.930068|5.691499|8.816431|17.793047|55.555514|5.461151|5.352396|3.439013|6.337328|2.706565|3.307403|0.071582|2.330540|2.119747|1.900219|1.890769|11.685727|1.576483|1.697323|1.633625|2.138213|1.946403|2.075624|6.818560|5.715592|4.284143|3.784267|4.079279|5.242260|2.967711|0.065921|0.078717|0.078736|0.076170|0.076186|0.500000|
|3.233792|4.268946|9.086431|7.789069|18.492614|7.482598|4.807428|4.318313|37.520695|9.488840|25.774138|9.339412|10.745563|7.493001|6.557765|0.125660|4.195283|3.201237|2.844015|3.015795|17.279179|2.173543|2.342657|2.116282|2.647102|2.567919|3.806921|3.684859|3.152338|2.617814|2.457905|2.693547|3.284361|2.070826|0.080340|0.085653|0.084846|0.121496|0.119251|0.096705|0.500000|
|2.289637|2.774571|5.362959|3.739719|7.837778|3.758044|3.002303|2.962889|26.520730|4.634304|9.264637|8.879931|11.467055|17.602427|12.334766|0.211203|5.628741|4.157522|4.013602|4.790882|25.716014|2.956572|3.116157|2.627149|3.151537|3.355287|7.540185|2.482395|2.276077|1.969014|1.844759|1.952713|2.249457|1.615903|0.059517|0.062161|0.059941|0.082054|0.077159|0.071608|0.190501|0.500000|
|2.364513|2.904111|5.583472|3.949197|8.584389|3.879245|3.047894|2.961598|26.139982|4.724168|9.748834|8.692307|10.722935|17.629163|12.295793|0.184317|7.386985|4.684154|4.119463|4.533305|23.559992|2.868187|3.147342|2.718810|3.292191|3.254505|6.465533|2.527280|2.249797|1.960318|1.877656|2.033685|2.361315|1.643435|0.061527|0.062589|0.062844|0.083451|0.084070|0.071268|0.215154|0.300986|0.500000|
|1.850324|2.160385|4.091340|2.708878|5.424206|2.758979|2.356858|2.379183|20.665150|3.249925|5.581274|5.085352|8.338776|6.848318|12.411845|0.182294|17.615312|8.778952|6.679117|6.349513|29.295910|3.829904|4.597041|3.894186|4.562236|4.145569|7.218337|2.020295|1.817767|1.622149|1.577366|1.706802|1.938404|1.408039|0.048820|0.049149|0.050230|0.060769|0.062851|0.059637|0.111752|0.147191|0.213226|0.500000|
|1.965070|2.298176|4.513171|3.050993|5.923147|3.284910|2.803364|2.910676|26.789581|4.092835|7.034364|6.914818|12.212172|7.375362|12.349811|0.220720|17.658917|8.811066|5.573132|4.998535|24.376378|3.310370|4.033183|3.632919|4.406052|3.675425|5.614897|2.327863|2.055743|1.806299|1.751004|1.913596|2.216868|1.542592|0.050981|0.052410|0.053875|0.063587|0.066257|0.072186|0.129512|0.145675|0.202851|0.299894|0.500000|
|1.559621|1.765395|3.367194|2.165138|4.124308|2.282907|2.053882|2.144271|18.520793|2.662171|4.188067|3.734880|7.008334|4.140454|7.615673|0.146445|8.951818|17.574591|8.893301|5.826347|29.142597|4.621219|6.687257|6.465395|7.453797|4.952881|4.906103|1.784504|1.620167|1.460209|1.425043|1.535122|1.723528|1.284391|0.041154|0.041856|0.042887|0.049066|0.050752|0.055356|0.080445|0.097190|0.113600|0.218980|0.206423|0.500000|
|1.608158|1.820880|3.540089|2.298109|4.310357|2.502211|2.264105|2.427802|21.909726|3.017729|4.725021|4.461968|9.253400|4.622388|9.033604|0.205691|8.832851|17.541168|8.911025|6.109879|29.705880|4.548050|6.365106|5.855335|6.728539|4.840253|5.280041|1.929800|1.755768|1.563830|1.508031|1.616414|1.830062|1.348920|0.042048|0.043597|0.044140|0.050695|0.051556|0.062664|0.086899|0.107873|0.116112|0.173286|0.219725|0.304194|0.500000|
|1.165399|1.281286|2.372827|1.465829|2.763616|1.506372|1.394595|1.442352|11.782866|1.674400|2.530575|2.123623|3.917277|2.373604|3.883989|0.079350|2.801763|3.277761|4.356232|4.449061|47.746463|9.321870|5.748088|4.818693|5.503983|26.076196|3.388885|1.258546|1.199298|1.103641|1.062364|1.103805|1.199012|0.980016|0.031330|0.031938|0.031533|0.036569|0.035968|0.038158|0.050090|0.065639|0.062536|0.076351|0.068016|0.086440|0.085936|0.500000|
|1.150443|1.262837|2.350534|1.452802|2.724182|1.504762|1.400693|1.457872|11.940003|1.677292|2.517997|2.117470|3.957951|2.325262|3.847105|0.079156|2.919056|3.609700|4.685203|4.236119|37.600061|9.406447|7.100409|7.046544|8.091548|26.009255|3.185243|1.262850|1.196115|1.101259|1.065141|1.112422|1.209956|0.982383|0.030849|0.031443|0.031328|0.035746|0.035579|0.038710|0.049487|0.062659|0.061643|0.078785|0.071451|0.098687|0.095766|0.312063|0.500000|
|1.787362|2.069190|3.914298|2.566674|5.079291|2.627216|2.264294|2.306621|20.157916|3.106773|5.294280|4.976362|8.440351|7.023247|12.406679|0.227745|5.614207|4.896883|5.757782|8.848717|44.742749|4.341837|4.323763|3.322822|3.800690|4.643300|17.601001|1.941122|1.818804|1.612033|1.520359|1.591624|1.788584|1.359665|0.047217|0.048904|0.047340|0.060517|0.057637|0.058100|0.104409|0.225137|0.156345|0.144838|0.126793|0.109178|0.123017|0.091159|0.082890|0.500000|
|1.815481|2.119180|3.939785|2.583537|5.251934|2.566952|2.186799|2.184789|18.682444|2.974114|5.146550|4.638534|7.413311|7.208556|12.394808|0.180969|6.794998|5.346264|6.053092|8.800778|41.277370|4.258535|4.394915|3.403899|3.897110|4.546226|17.577665|1.893316|1.751901|1.565348|1.497730|1.585193|1.778968|1.343645|0.048327|0.048882|0.048230|0.061673|0.060388|0.054869|0.106210|0.202157|0.194234|0.209488|0.143186|0.124678|0.121795|0.087465|0.081765|0.301354|0.500000|
|3.857140|3.838332|8.765129|4.478007|6.311595|5.189155|7.047552|5.894784|29.313417|4.158691|4.480684|2.783838|4.770067|2.362098|2.806841|0.059017|1.922916|1.732011|1.610766|1.652149|10.485835|1.381653|1.449527|1.375234|1.788160|1.722191|1.843330|8.925629|17.712963|8.924339|5.630023|4.970267|5.660123|4.086829|0.088996|0.123588|0.106529|0.100529|0.090696|0.158797|0.088798|0.065861|0.063359|0.050815|0.057380|0.045292|0.049599|0.034229|0.033969|0.052665|0.049914|0.500000|
|3.749722|3.297244|6.671426|3.214640|4.793454|3.361071|4.113948|3.612723|19.734866|2.809255|3.245553|2.085245|3.584546|1.846732|2.245759|0.046697|1.570423|1.435826|1.345297|1.372273|8.855430|1.177936|1.229456|1.177981|1.544716|1.485590|1.505340|5.643747|8.941575|17.708248|8.922174|5.664491|4.969179|6.976832|0.089461|0.123174|0.108719|0.084773|0.079596|0.103081|0.065904|0.051388|0.050496|0.042107|0.046461|0.038111|0.040844|0.029610|0.029446|0.042683|0.041196|0.216551|0.500000|
|4.023368|3.578442|7.145525|3.423048|5.127415|3.476640|4.111284|3.491395|19.464011|2.862394|3.336887|2.123384|3.608374|1.889033|2.303844|0.047065|1.681898|1.524508|1.392293|1.392590|8.839678|1.194585|1.267867|1.230558|1.627249|1.501227|1.517333|5.640644|4.969177|5.667121|8.901411|17.698521|8.958530|7.008498|0.096039|0.108980|0.140209|0.083692|0.095548|0.096600|0.068709|0.050693|0.053459|0.045674|0.050880|0.041325|0.043063|0.029608|0.029936|0.041797|0.042022|0.107793|0.124261|0.500000|
|4.160423|4.306508|9.937618|5.099700|7.139503|5.643302|7.023480|5.399466|28.416782|4.333652|4.728270|2.875181|4.823876|2.451825|2.921811|0.059742|2.138662|1.894025|1.692822|1.687514|10.457366|1.408388|1.513234|1.460579|1.919269|1.746285|1.865005|8.902292|5.661383|4.969074|5.626839|8.946840|17.707381|4.094936|0.095537|0.109343|0.135753|0.098785|0.116907|0.137533|0.096010|0.064399|0.069514|0.057469|0.066381|0.050979|0.053714|0.034218|0.034719|0.051013|0.051395|0.124239|0.107786|0.216863|0.500000|
|3.041340|2.641527|5.079727|2.501586|3.866978|2.575936|3.042184|2.775316|15.803288|2.224528|2.641071|1.732161|2.999539|1.559335|1.935464|0.039937|1.395342|1.290064|1.199515|1.204810|7.793146|1.054403|1.107129|1.076609|1.427656|1.338367|1.299190|3.964779|4.360615|6.036583|8.852059|6.514744|4.535880|17.540675|0.076206|0.089449|0.096098|0.065923|0.068440|0.080771|0.053791|0.042566|0.043388|0.037735|0.041485|0.034849|0.036627|0.026571|0.026734|0.036219|0.035763|0.101372|0.158273|0.180254|0.106525|0.500000|
|3.812835|3.099658|5.723214|2.707559|4.193083|2.660457|3.024524|2.649232|15.378792|2.253814|2.710490|1.758644|2.995951|1.601124|1.967642|0.040220|1.416715|1.297870|1.208981|1.220764|7.890613|1.061234|1.111926|1.076235|1.422442|1.344942|1.325323|3.949388|4.236489|5.744177|8.837333|6.898981|4.648733|17.560382|0.096032|0.111240|0.125942|0.075855|0.080037|0.074163|0.056248|0.043864|0.045011|0.038645|0.042018|0.035089|0.036533|0.026723|0.026788|0.036907|0.036792|0.097927|0.146936|0.201262|0.110067|0.302316|0.500000|
|3.453249|2.875900|5.416361|2.600808|4.017501|2.611831|3.024963|2.699567|15.528195|2.232547|2.668375|1.740889|2.988767|1.577562|1.942856|0.040015|1.383160|1.273217|1.193629|1.210042|7.860109|1.054164|1.099933|1.062076|1.401566|1.337977|1.313518|3.946503|4.728146|7.196684|8.836402|5.580582|4.172536|17.584175|0.086618|0.107099|0.106123|0.072679|0.072363|0.076879|0.054864|0.043589|0.043808|0.037493|0.040824|0.034208|0.036002|0.026662|0.026624|0.036886|0.036250|0.112651|0.219507|0.141008|0.096109|0.302001|0.301684|0.500000|
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