Version2.0
2020-08-01T08:04:05Z
10.1021/jm300687e
Gaussian16
RevisionB.01
SBUNGAY
21-Jul-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOC(=O)c1c(n(c(c1S(=O)(=O)NCCC2[NH+]=c3ccccc3=[NH+]2)C)C)C C63646311
RHF
6-31G(d)
(6D,7F)
CCOC(=O)c1c(n(c(c1S(=O)(=O)NCCC2[NH+]=c3ccccc3=[NH+]2)C)C)C
C01[X(C19H26N4O4S1)]
156
C1
476
CCOC(=O)c1c(C)n(c(c1S(=O)(=O)NCCC1[NH+]=c2c(=[NH+]1)cccc2)C)C
CCOC(=O)c1c(C)n(c(c1S(=O)(=O)NCCC1[NH+]=c2c(=[NH+]1)cccc2)C)C
CCOC(=O)c1c(C)n(C)c(C)c1[S](=O)(=O)NCCC2[NH+]=C3C=CC=CC3=[NH+]2
InChIKey=AAIRUJZMRSQBBR-UHFFFAOYSA-P
InChI=1S/C19H24N4O4S/c1-5-27-19(24)17-12(2)23(4)13(3)18(17)28(25,26)20-11-10-16-21-14-8-6-7-9-15(14)22-16/h6-9,16,20H,5,10-11H2,1-4H3/p+2
InChI=1/C19H24N4O4S/c1-5-27-19(24)17-12(2)23(4)13(3)18(17)28(25,26)20-11-10-16-21-14-8-6-7-9-15(14)22-16/h6-9,16,20H,5,10-11H2,1-4H3/p+2/fC19H26N4O4S/h21-22H/q+2
CCOC(=O)c1c(n(c(c1S(=O)(=O)NCCC2[NH+]=c3ccccc3=[NH+]2)C)C)C
C01[X(C19H26N4O4S1)]
156
C01
476
CCOC(=O)c1c(C)n(c(c1S(=O)(=O)NCCC1[NH+]=c2c(=[NH+]1)cccc2)C)C
CCOC(=O)[C]1=C(C)[N]([C]([C]1[S]([O])([O])NCC[C@@H]1[NH][C]2[CH]=CC=[CH][C]2[NH]1)C)C
CCOC(=O)C1=C(C)N(C)[C](C)[C]1[S]([O])([O])NCCC2N[C]3C=CC=C[C]3N2
InChIKey=BDVUCABITDGEJV-UHFFFAOYSA-N
InChI=1S/C19H26N4O4S/c1-5-27-19(24)17-12(2)23(4)13(3)18(17)28(25,26)20-11-10-16-21-14-8-6-7-9-15(14)22-16/h6-9,16,20-22H,5,10-11H2,1-4H3
InChI=1/C19H26N4O4S/c1-5-27-19(24)17-12(2)23(4)13(3)18(17)28(25,26)20-11-10-16-21-14-8-6-7-9-15(14)22-16/h6-9,16,20-22H,5,10-11H2,1-4H3
3038.1573473646
-1648.7647095
1-A
12577.4992
107
369
476
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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4.81583
-25.7261 -3.0184 3.4773
26.1350
|XX|YY|ZZ|XY|XZ|YZ|
38.3812 -114.0273 -144.1389 -12.1731 16.5683 18.5266
|XX|YY|ZZ|XY|XZ|YZ|
111.6429 -40.7657 -70.8772 -12.1731 16.5683 18.5266
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-754.6911 0.5062 30.0783 4.0915 -204.7744 -19.2884 -83.8341 -12.4545 -5.5105 -90.6146
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-5175.0277 -3180.9282 -1156.3595 275.1176 291.4804 -4.8626 -0.2822 66.6767 110.3289 -1685.1295 -1849.1318 -733.1204 433.2714 121.7677 26.4487
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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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
13.8791 22.2417 26.7851 46.0202 53.1141 57.4566 76.3770 77.4445 95.5572 103.8432 113.8268 133.4656 142.2849 147.4281 167.0293 178.7862 186.9818 215.1881 231.6504 245.4691 254.4607 263.1414 285.7926 295.0065 310.7564 319.3789 325.9716 343.9793 363.2749 380.1400 391.8720 402.2427 425.3669 449.2076 455.2004 475.0636 483.9099 507.6995 513.9912 547.6914 580.4201 592.8137 596.9211 603.5577 612.1316 664.4630 710.1418 725.7484 734.6293 768.7287 801.7887 811.2999 820.0963 838.1690 856.5375 877.3380 880.0391 889.7718 907.1579 926.6904 946.7249 960.4948 966.9318 973.0522 1003.4860 1016.4797 1076.4062 1100.7909 1118.6672 1122.4479 1130.0227 1131.2441 1143.8653 1159.9615 1162.0851 1166.8149 1173.9613 1188.8933 1205.9816 1233.3448 1237.1234 1251.1221 1254.7762 1275.4671 1280.2630 1289.7163 1295.7668 1300.1831 1317.3253 1325.2688 1354.4399 1387.1067 1398.0162 1427.0875 1433.7432 1455.2004 1463.3809 1482.4679 1502.5915 1514.2398 1524.9404 1545.1004 1548.5336 1551.2974 1551.6213 1571.6184 1574.9146 1585.1951 1587.4684 1609.7935 1612.5567 1615.1932 1622.8714 1627.1714 1628.8904 1630.3941 1635.3420 1635.7376 1642.7036 1647.0292 1652.6083 1655.5830 1668.2722 1692.8280 1735.0158 1767.3261 1803.8870 1809.0666 1892.9235 1988.3234 2860.4554 3209.9047 3220.8337 3226.3271 3240.1926 3255.7407 3264.4664 3269.4575 3277.4367 3278.5042 3283.8906 3289.0524 3295.1386 3312.0744 3336.2530 3340.0950 3346.1925 3375.1661 3380.7848 3390.5923 3404.5943 3413.2464 3422.0110 3428.5506 3775.7579 3805.8876
3.7196 5.3952 4.6724 3.5611 2.2016 1.6465 4.4325 3.2384 3.3057 4.6628 3.9688 3.1820 4.0683 3.1506 3.1769 1.2881 1.2555 3.2222 3.1646 3.4187 3.4592 3.6305 2.6958 1.4183 3.5212 4.0104 4.1229 3.5091 4.8053 2.7504 2.6980 3.6122 4.2326 3.1818 2.9447 4.5121 3.6923 3.5626 2.6897 3.7150 6.1242 3.9891 4.9674 4.3259 5.3225 3.9172 6.6796 4.3265 4.4725 2.2826 1.5384 3.5572 4.6653 3.9497 4.7340 1.5212 1.4205 2.7587 4.6500 4.0217 1.4376 4.7093 5.4837 2.4925 2.8485 3.3814 2.1763 2.8028 2.5244 2.1256 1.4239 1.8793 2.3200 1.4267 1.7984 2.2290 1.5241 2.3277 3.1372 2.5001 2.0430 1.6928 1.4779 1.4924 3.6190 3.0047 1.5467 1.1424 1.8296 8.7134 1.2435 6.7597 1.1980 1.2121 1.0881 1.5436 4.6057 1.3994 1.3376 1.6374 2.4856 1.3438 1.6454 1.5277 1.6031 1.2696 2.3803 1.6341 1.5790 1.2102 1.1664 1.1233 1.0990 1.3950 1.1996 1.0654 1.3093 1.0852 1.2038 1.0673 1.1123 1.1228 1.0924 3.0605 5.5124 7.1136 4.4231 5.4973 6.2479 12.3088 1.1288 1.0388 1.0436 1.0450 1.0658 1.0412 1.0872 1.0984 1.1026 1.0674 1.1021 1.0647 1.0961 1.1013 1.1117 1.1081 1.0984 1.1065 1.0965 1.0954 1.0936 1.0918 1.1002 1.1019 1.0841 1.0779
0.0004 0.0016 0.0020 0.0044 0.0037 0.0032 0.0152 0.0114 0.0178 0.0296 0.0303 0.0334 0.0485 0.0403 0.0522 0.0243 0.0259 0.0879 0.1001 0.1214 0.1320 0.1481 0.1297 0.0727 0.2003 0.2410 0.2581 0.2446 0.3736 0.2342 0.2441 0.3443 0.4512 0.3783 0.3595 0.6000 0.5094 0.5410 0.4187 0.6566 1.2156 0.8260 1.0428 0.9285 1.1751 1.0190 1.9847 1.3426 1.4221 0.7947 0.5827 1.3795 1.8487 1.6348 2.0463 0.6899 0.6482 1.2868 2.2546 2.0349 0.7592 2.5597 3.0207 1.3905 1.6900 2.0585 1.4857 2.0010 1.8613 1.5778 1.0713 1.4170 1.7885 1.1310 1.4309 1.7880 1.2376 1.9385 2.6883 2.2407 1.8423 1.5611 1.3709 1.4305 3.4950 2.9447 1.5301 1.1378 1.8707 9.0167 1.3441 7.6630 1.3795 1.4544 1.3178 1.9259 5.8111 1.8120 1.7793 2.2121 3.4055 1.8902 2.3246 2.1661 2.2740 1.8476 3.4786 2.4194 2.3444 1.8478 1.7870 1.7266 1.7053 2.1761 1.8753 1.6686 2.0630 1.7108 1.9140 1.7059 1.7898 1.8132 1.7914 5.1674 9.7769 13.0911 8.4799 10.6001 13.1902 28.6708 5.4418 6.3061 6.3787 6.4089 6.5929 6.5024 6.8263 6.9176 6.9779 6.7599 7.0022 6.7862 7.0120 7.1177 7.2903 7.2835 7.2465 7.4265 7.3840 7.4195 7.4688 7.4945 7.5907 7.6316 9.1057 9.1992
0.1834 2.8417 1.3692 4.5523 6.6512 4.2025 4.9603 2.3120 0.2914 2.8900 6.5317 4.7615 0.9390 12.4734 5.6808 2.5709 0.1308 8.0067 10.2384 0.4635 7.5658 1.1836 1.6707 1.4559 14.8321 2.1629 52.9594 11.2924 16.4563 50.9496 17.6820 9.7288 14.6768 6.7827 2.2783 3.2494 9.4167 14.2695 15.7014 13.1265 6.7529 175.6857 15.2682 1.7858 25.3010 18.3612 166.4506 45.3294 14.6700 22.4554 1.5952 12.1511 44.5988 2.5319 14.5873 135.0661 2.2292 82.8475 185.3828 43.4781 9.0535 11.8638 34.1065 29.7281 12.4328 27.1071 12.5846 24.1075 151.2237 19.8973 2.8555 13.8376 30.7904 1.7678 97.1694 183.8634 7.4430 27.7203 35.3429 423.9243 123.8675 11.2749 5.3383 87.1159 20.1995 55.6344 4.8623 2.1610 21.6903 99.2989 5.3240 217.8736 54.9042 31.2246 2.2231 3.2147 388.1630 8.8357 12.4256 32.8424 96.2850 18.1788 147.8030 20.2645 39.3796 11.0260 155.4712 58.4448 8.0742 56.1767 67.4312 4.8181 25.0951 65.5327 81.2117 1.7435 62.1089 17.3227 9.6454 2.4598 5.6767 8.0169 4.7637 79.6078 118.7886 118.6614 0.3972 364.3875 99.1047 349.5190 3009.6009 39.5232 12.7071 9.4058 5.1382 23.1193 13.4653 33.8421 11.2310 8.8242 7.3915 8.5300 33.9185 2.0296 26.7705 4.4900 8.5378 4.8331 0.2366 1.1731 1.9532 7.4177 27.7224 18.0479 288.3719 70.5264
0.5583 4.6811 4.5863 2.0115 0.9427 1.7292 0.1751 0.8318 0.5466 0.4845 5.1645 0.1186 1.0552 1.1142 0.3992 0.6433 0.5178 0.4497 0.3387 1.1430 1.4418 0.4838 0.5055 0.3451 2.5808 4.0751 1.4505 1.5805 2.6880 0.7571 2.4669 3.1924 1.4425 3.5979 1.2231 1.8902 4.7193 4.9167 3.1036 6.2611 1.7905 1.2055 1.8012 9.0926 3.8339 0.6423 2.2338 1.6265 2.4579 3.9101 2.9257 3.6034 8.1960 4.2525 1.5962 8.2231 1.5603 11.7622 9.4321 8.0290 0.8401 3.5763 5.4946 10.2239 34.3240 3.1967 1.9322 25.6948 16.5763 8.6001 7.3559 12.1916 3.3127 6.5371 10.0188 17.9945 1.4987 9.4153 5.4698 2.0248 7.1863 2.3944 5.2092 10.0117 7.0214 5.8029 0.8051 15.5037 12.8226 3.0267 20.2122 32.7103 15.6417 30.8422 12.1725 19.6139 29.0788 29.7723 32.4742 5.0799 23.6443 5.7051 5.9589 4.6820 4.1867 23.6795 51.3971 7.3259 7.5530 9.6405 50.2251 7.9101 14.9361 22.2283 6.2786 20.4064 7.0801 19.6023 8.7950 19.0513 23.3858 25.0160 2.2952 26.9824 310.5607 33.2341 81.7357 131.0333 193.7272 13.0391 230.0374 123.4811 148.2939 140.9442 78.4338 143.9286 140.9509 83.3133 85.9196 71.1571 84.8834 133.3274 93.7549 44.5875 30.4144 66.9592 62.2666 37.6798 45.0286 41.6465 56.3880 104.5993 136.3848 129.8217 70.4837 46.5866
0.7194 0.7353 0.7452 0.7385 0.6919 0.7040 0.7398 0.7256 0.7165 0.7500 0.7316 0.5839 0.7430 0.6819 0.3277 0.4846 0.6327 0.7203 0.7457 0.5383 0.5014 0.3539 0.2755 0.5990 0.6980 0.0613 0.7415 0.7238 0.7469 0.3799 0.2702 0.2145 0.5150 0.6949 0.7250 0.4693 0.0462 0.2592 0.2665 0.7115 0.4894 0.4111 0.7483 0.4166 0.5000 0.6670 0.7344 0.6858 0.6997 0.2712 0.6477 0.7436 0.2040 0.7499 0.7484 0.5337 0.5705 0.5025 0.7188 0.7154 0.7178 0.5426 0.4097 0.2531 0.4167 0.3731 0.7445 0.3610 0.2468 0.2788 0.2607 0.1609 0.5740 0.7385 0.2790 0.2046 0.5529 0.3829 0.2182 0.4795 0.1947 0.5553 0.4530 0.7392 0.7229 0.2807 0.6923 0.1303 0.7009 0.4292 0.3456 0.7436 0.5412 0.5085 0.7452 0.3837 0.6289 0.4666 0.2905 0.7178 0.6509 0.7278 0.5621 0.7307 0.6981 0.7480 0.4293 0.3951 0.6786 0.7483 0.4478 0.4366 0.7091 0.4777 0.7390 0.7433 0.6928 0.7475 0.4691 0.7481 0.6029 0.5665 0.7445 0.1351 0.1279 0.1259 0.2436 0.4136 0.2829 0.1985 0.4434 0.0530 0.0908 0.0613 0.2397 0.0542 0.2704 0.7342 0.7338 0.2260 0.7056 0.0706 0.4542 0.4618 0.7499 0.7016 0.5594 0.7213 0.6466 0.5955 0.6522 0.6187 0.1966 0.1209 0.4308 0.2683
0.8368 0.8474 0.8540 0.8496 0.8179 0.8263 0.8504 0.8410 0.8348 0.8571 0.8450 0.7373 0.8526 0.8108 0.4937 0.6529 0.7751 0.8374 0.8544 0.6999 0.6679 0.5228 0.4320 0.7492 0.8222 0.1155 0.8515 0.8398 0.8551 0.5506 0.4254 0.3532 0.6798 0.8200 0.8406 0.6388 0.0883 0.4116 0.4208 0.8315 0.6572 0.5827 0.8560 0.5882 0.6666 0.8002 0.8469 0.8136 0.8234 0.4267 0.7862 0.8529 0.3389 0.8571 0.8561 0.6960 0.7265 0.6689 0.8364 0.8341 0.8357 0.7035 0.5813 0.4040 0.5883 0.5435 0.8535 0.5304 0.3959 0.4360 0.4136 0.2772 0.7294 0.8496 0.4363 0.3397 0.7121 0.5537 0.3582 0.6482 0.3259 0.7141 0.6236 0.8500 0.8391 0.4383 0.8182 0.2306 0.8241 0.6007 0.5136 0.8529 0.7023 0.6742 0.8540 0.5546 0.7722 0.6363 0.4502 0.8357 0.7885 0.8425 0.7197 0.8444 0.8222 0.8558 0.6007 0.5664 0.8085 0.8561 0.6186 0.6078 0.8298 0.6466 0.8499 0.8527 0.8185 0.8555 0.6386 0.8559 0.7523 0.7233 0.8535 0.2381 0.2269 0.2236 0.3918 0.5851 0.4410 0.3312 0.6144 0.1007 0.1665 0.1156 0.3868 0.1027 0.4257 0.8467 0.8465 0.3686 0.8274 0.1319 0.6247 0.6318 0.8571 0.8246 0.7174 0.8381 0.7853 0.7465 0.7895 0.7645 0.3286 0.2157 0.6022 0.4231
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 6 8 6 8 6 6 7 6 6 16 8 8 7 6 6 6 7 1 6 6 6 6 6 6 7 1 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 14.00307 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 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
6486.0122 17606.4592 20925.9624
0.99996 -0.00891 -0.00081 0.00892 0.99995 0.00538 0.00076 -0.00539 0.99999
1
0.01335 0.00492 0.00414
0.27825 0.10250 0.08624
19.97 32.00 38.54 66.21 76.42 82.67 109.89 111.43 137.49 149.41 163.77 192.03 204.72 212.12 240.32 257.23 269.03 309.61 333.29 353.18 366.11 378.60 411.19 424.45 447.11 459.51 469.00 494.91 522.67 546.94 563.82 578.74 612.01 646.31 654.93 683.51 696.24 730.47 739.52 788.01 835.10 852.93 858.84 868.38 880.72 956.01 1021.74 1044.19 1056.97 1106.03 1153.60 1167.28 1179.94 1205.94 1232.37 1262.29 1266.18 1280.18 1305.20 1333.30 1362.13 1381.94 1391.20 1400.01 1443.79 1462.49 1548.71 1583.79 1609.51 1614.95 1625.85 1627.61 1645.77 1668.93 1671.98 1678.79 1689.07 1710.55 1735.14 1774.51 1779.94 1800.09 1805.34 1835.11 1842.01 1855.61 1864.32 1870.67 1895.34 1906.77 1948.74 1995.74 2011.43 2053.26 2062.84 2093.71 2105.48 2132.94 2161.89 2178.65 2194.05 2223.05 2227.99 2231.97 2232.44 2261.21 2265.95 2280.74 2284.01 2316.13 2320.11 2323.90 2334.95 2341.14 2343.61 2345.77 2352.89 2353.46 2363.48 2369.71 2377.73 2382.01 2400.27 2435.60 2496.30 2542.79 2595.39 2602.84 2723.49 2860.75 4115.56 4618.34 4634.06 4641.97 4661.91 4684.28 4696.84 4704.02 4715.50 4717.04 4724.79 4732.21 4740.97 4765.34 4800.12 4805.65 4814.42 4856.11 4864.20 4878.31 4898.45 4910.90 4923.51 4932.92 5432.47 5475.82
0.480400
0.506816
0.507760
0.421404
-1648.284310
-1648.257894
-1648.256949
-1648.343306
2.896428D-04
MUNgauss
RevisionA2.0
retrievium
01-Aug-2020
DUDE CCOC(=O)c1c(n(c(c1S(=O)(=O)NCCC2[NH+]=c3ccccc3=[NH+]2)C)C)C C63646311
RHF
6-31G(d)
(6D,10F)
C1
406.167477
|X|Y|Z|
53.958448 31.800448 93.027950
54.246124
18
|36.858105|
|12.598365|36.858105|
|7.977689|13.280516|73.516695|
|5.274000|8.167295|25.637044|36.858105|
|4.654946|7.302300|15.335263|16.022835|73.516695|
|4.025568|5.186919|14.377584|12.844257|14.420546|36.858105|
|3.209797|3.992354|9.480642|7.639965|11.659569|14.021400|36.858105|
|2.776023|3.250781|7.478461|5.234670|8.030579|8.592708|13.835353|53.358707|
|2.922300|3.316049|7.836330|5.082752|7.360258|8.319498|8.474391|19.233543|36.858105|
|3.670154|4.264041|11.137043|7.127214|9.175192|13.152773|8.501124|11.846381|13.794253|36.858105|
|3.965669|4.216709|10.426779|5.471587|7.387125|6.721552|4.876996|6.751559|6.960598|11.135571|388.023441|
|4.501638|4.808741|11.354420|5.689410|7.912473|5.883765|4.261435|5.487900|4.968345|7.212787|92.631001|73.516695|
|3.101392|3.203959|7.218203|3.939340|5.745533|4.794331|3.975651|5.980009|6.281397|7.291575|93.763825|14.035204|73.516695|
|4.598862|4.451479|10.617092|4.895459|6.682791|5.376564|4.085989|5.503062|5.148997|7.074691|82.787567|13.859793|13.472510|53.358707|
|4.882188|4.227301|8.913226|3.977542|5.748079|3.997700|3.182852|4.229590|3.729763|4.717754|50.454550|11.790409|10.190092|17.861054|36.858105|
|3.619824|3.224567|6.516513|3.131440|4.717004|3.228640|2.694240|3.700845|3.275286|3.866970|40.818749|9.780164|10.226721|10.108989|12.227561|36.858105|
|3.433916|3.093398|6.053787|2.961181|4.569413|2.982800|2.502190|3.400328|2.951981|3.469473|35.746228|10.008172|9.127428|7.257752|7.311026|12.340380|36.858105|
|3.319322|3.169176|6.368493|3.223241|4.969666|3.302271|2.746813|3.746714|3.295529|3.912646|41.877234|13.045652|11.103938|7.065151|5.946825|7.533841|13.107564|53.358707|
|3.746839|3.693917|7.698780|3.884386|5.854638|3.971845|3.185710|4.274249|3.798438|4.753180|54.649555|21.370731|12.820942|8.180359|6.344998|6.671812|8.755003|24.631318|0.500000|
|2.727388|2.646869|5.237272|2.748531|4.345011|2.859933|2.466688|3.428387|2.982295|3.361082|32.922065|9.437007|9.556054|5.469343|4.368789|5.561055|8.360613|20.438804|0.255176|36.858105|
|2.413326|2.418625|4.781751|2.606582|4.201099|2.748853|2.428861|3.409934|2.928016|3.193935|29.057860|8.214857|8.568876|4.586103|3.438029|4.012594|5.151883|10.485232|0.184904|13.226771|36.858105|
|2.078529|2.070728|4.026737|2.207432|3.611167|2.324640|2.105484|2.978455|2.511373|2.657239|23.034563|6.222806|6.771767|3.804709|2.869481|3.374004|4.167676|7.239737|0.127863|8.102113|14.260490|36.858105|
|1.961182|1.913745|3.676167|1.986421|3.250614|2.075400|1.886677|2.666376|2.236514|2.359007|20.425534|5.392646|5.946441|3.559545|2.766235|3.376348|4.171949|6.470444|0.109648|6.882176|7.689895|12.852483|36.858105|
|2.088486|1.995707|3.820705|2.024695|3.284674|2.099675|1.888384|2.654343|2.238850|2.394696|21.254892|5.586694|6.128980|3.852291|3.109705|4.010564|5.145138|7.279493|0.116513|7.508869|6.427774|7.623291|14.154172|36.858105|
|2.470482|2.334604|4.516739|2.348398|3.747721|2.425688|2.130766|2.971979|2.547403|2.805957|26.331315|7.079640|7.561047|4.795683|4.014674|5.547078|8.295868|11.629732|0.162381|12.757420|7.464289|6.832958|8.137680|13.387598|36.858105|
|2.730875|2.501305|4.810308|2.434271|3.847799|2.482569|2.155341|2.977210|2.551932|2.861302|27.360247|7.292468|7.510652|5.371808|4.876663|7.593500|13.000971|11.615939|0.163368|8.557654|5.320559|4.718129|5.300209|7.673530|14.825010|53.358707|
|2.559370|2.315460|4.389085|2.219131|3.534268|2.252372|1.978026|2.731694|2.313654|2.561348|23.621815|6.146603|6.388216|4.810592|4.395354|6.621205|8.753026|8.091850|0.126672|5.941655|4.224566|3.962184|4.634429|6.730567|9.379776|25.798511|0.500000|
|2.471834|2.687301|5.988647|3.656153|5.558438|5.043638|5.195337|10.473247|12.686220|7.209940|40.058561|7.310310|11.278065|6.054416|3.396234|3.184008|2.855881|4.304369|0.096883|2.972780|2.956036|2.596727|2.331352|2.319554|2.591030|3.483463|0.064817|36.858105|
|2.307368|2.640582|5.714507|3.833982|6.295521|5.258624|7.600846|17.737155|7.646067|5.280711|26.098741|5.523983|6.196469|4.297314|2.548755|2.300970|2.130965|3.157695|0.071501|2.177247|2.196451|1.968322|1.777801|1.757066|1.926130|2.607997|0.049390|6.461407|36.858105|
|2.891626|3.619685|7.780494|6.062748|11.280919|7.325527|12.704867|10.364935|5.203907|5.114552|25.307854|5.874794|5.389468|4.311958|2.615687|2.251149|2.120583|3.123969|0.072408|2.092553|2.077012|1.834887|1.658278|1.654553|1.839049|2.529644|0.047913|3.833303|6.431221|36.858105|
|17.574339|8.922470|10.175945|4.290121|7.196887|3.354559|2.790434|3.310394|2.519906|3.054463|23.080087|6.502854|4.706140|4.987026|3.937665|3.111197|3.018245|3.950727|0.088800|2.445832|2.188243|1.913481|1.819135|1.933333|2.251688|3.371029|0.065324|2.170644|2.069731|2.596974|0.500000|
|17.548699|8.845062|12.587256|4.847316|7.490043|3.881166|3.067380|3.695872|2.932109|3.714614|30.691176|9.281444|6.002797|6.776892|5.715299|4.220076|4.140292|5.387452|0.124827|3.151176|2.721376|2.311625|2.179912|2.343254|2.830354|4.317277|0.081556|2.513852|2.252536|2.708075|0.301854|0.500000|
|17.570751|8.844119|12.908424|4.907270|7.489496|3.971497|3.203269|3.827581|2.979326|3.706164|28.347832|7.496893|5.569457|6.818966|5.320215|3.784768|3.397699|4.341737|0.098300|2.631221|2.311797|2.006970|1.913669|2.053268|2.425004|3.694263|0.071487|2.538157|2.344246|2.865853|0.301228|0.299293|0.500000|
|8.819742|17.643619|16.474948|7.350834|13.293709|4.762101|3.756994|4.180950|3.112268|3.933220|27.887926|8.408850|5.432027|5.285556|3.749327|3.003815|3.004471|4.304961|0.102985|2.670144|2.478686|2.116415|1.936402|1.999494|2.327027|3.341689|0.062754|2.545931|2.523096|3.472109|0.210278|0.213234|0.173005|0.500000|
|8.842518|17.642386|16.523165|7.343268|13.108197|4.814584|3.940967|4.302529|3.114181|3.841903|25.624418|6.909643|5.031336|5.201807|3.577271|2.802621|2.658801|3.679845|0.085631|2.313658|2.142487|1.863887|1.732681|1.799466|2.071550|3.005169|0.057434|2.533841|2.618671|3.772328|0.214639|0.173219|0.209786|0.302729|0.500000|
|3.970965|3.875330|8.959779|4.365278|6.103059|5.002569|4.032255|5.639773|5.307140|6.610596|60.765335|10.143898|12.065423|25.911447|9.070194|6.288343|4.461743|5.814478|0.130767|3.508427|3.015667|2.572329|2.438045|2.631414|3.183763|4.814727|0.090364|4.775029|3.291108|3.141723|0.090647|0.114469|0.123692|0.093702|0.096674|0.500000|
|4.840967|4.017970|8.107470|3.622782|5.335545|3.594933|2.948093|3.907694|3.349932|4.073120|38.127270|8.754167|8.059803|12.784854|17.644397|8.854023|5.622841|6.161346|0.129933|3.571406|2.901122|2.501216|2.457245|2.765900|3.438234|5.688785|0.110588|3.083277|2.401873|2.479531|0.110631|0.149284|0.157878|0.096766|0.097594|0.231940|0.500000|
|6.175204|5.037238|10.194628|4.301978|6.244440|4.045484|3.162720|4.065572|3.481768|4.495752|46.024262|13.006649|8.865839|12.582530|17.644665|8.683161|7.201761|8.320434|0.190370|4.358760|3.449855|2.847924|2.712858|3.020928|3.899726|6.357677|0.115800|3.085349|2.444601|2.635872|0.133066|0.224755|0.176311|0.124702|0.112677|0.181898|0.305839|0.500000|
|3.149292|2.921650|6.030957|3.008820|4.534917|3.233879|2.747404|3.892606|3.535429|4.033268|42.705168|9.244658|12.309871|9.797631|8.679150|17.605862|8.834825|9.410826|0.170946|5.620432|4.175983|3.546587|3.546134|4.165701|5.603668|9.474823|0.168569|3.589486|2.433309|2.271631|0.075820|0.098497|0.091635|0.075913|0.071781|0.184331|0.191319|0.175077|0.500000|
|3.367928|2.926450|5.704917|2.750450|4.224237|2.795552|2.386350|3.270012|2.820951|3.237727|31.211839|7.541670|7.824728|7.733928|8.801632|17.559217|9.038860|7.635741|0.137490|4.562858|3.424847|3.009787|3.123510|3.785038|4.975112|9.675207|0.199626|2.772242|2.075181|2.038129|0.082513|0.107371|0.099485|0.075547|0.071943|0.144842|0.234021|0.191510|0.301944|0.500000|
|3.771670|3.271028|6.144492|2.943133|4.596962|2.855780|2.390574|3.179865|2.692979|3.188734|31.201511|9.223740|7.449638|6.488505|6.731032|8.725181|17.564029|12.518758|0.204457|6.442719|4.413999|3.660692|3.666390|4.416791|6.412642|12.439226|0.206300|2.551956|1.998925|2.058577|0.093179|0.131249|0.101605|0.088985|0.077308|0.110682|0.151862|0.211726|0.172788|0.213578|0.500000|
|2.483132|2.554152|5.105614|2.845103|4.601707|3.021689|2.665911|3.729731|3.193573|3.496247|31.023662|9.035308|8.919904|4.637442|3.348491|3.686794|4.505018|9.173644|0.187931|8.707424|17.756544|8.944444|5.483672|4.719521|5.403528|5.874799|0.098204|3.162109|2.381058|2.265839|0.062286|0.077224|0.065434|0.073565|0.062714|0.084223|0.078317|0.094607|0.105956|0.086853|0.110686|0.500000|
|1.913306|1.929473|3.737946|2.081805|3.447040|2.198929|2.024224|2.873378|2.387948|2.481863|20.690120|5.538183|6.004897|3.398992|2.516197|2.865002|3.398692|5.730753|0.106940|5.690398|9.103004|17.738719|8.705402|5.568364|4.938364|5.072822|0.090145|2.480935|1.924839|1.782060|0.049237|0.058404|0.051236|0.055068|0.048665|0.064507|0.061728|0.069581|0.083633|0.071802|0.085069|0.213818|0.500000|
|1.766685|1.728968|3.297366|1.794494|2.963423|1.873689|1.725843|2.444112|2.024695|2.106134|17.718695|4.623416|5.098106|3.117310|2.401970|2.866184|3.401572|5.102160|0.089845|4.961442|5.598720|8.710228|17.725297|9.104095|5.718124|5.720439|0.107586|2.123957|1.651831|1.533530|0.045892|0.053985|0.047991|0.048629|0.043883|0.060063|0.060304|0.065427|0.083572|0.075123|0.085213|0.122765|0.215961|0.500000|
|1.950926|1.848468|3.504415|1.852417|3.019583|1.912441|1.733045|2.433815|2.033786|2.159996|18.801154|4.870502|5.331420|3.507936|2.855421|3.663060|4.469566|5.874973|0.097340|5.412646|4.719432|5.464781|8.941855|17.755637|8.720886|9.073352|0.187396|2.113354|1.625641|1.532059|0.050590|0.060368|0.053657|0.051205|0.046659|0.067505|0.072317|0.076668|0.104985|0.100373|0.110201|0.103570|0.122645|0.215433|0.500000|
|2.306832|2.489695|5.439688|3.299634|5.104147|4.404360|4.757427|9.506465|8.938274|5.684850|32.139731|6.105038|8.681684|5.362041|3.077979|2.879032|2.551870|3.732251|0.082485|2.588167|2.554465|2.292626|2.100425|2.103075|2.320226|3.151817|0.059612|17.579321|6.816670|3.700636|0.056789|0.064327|0.066612|0.064992|0.066401|0.121849|0.080065|0.077416|0.089572|0.071360|0.064040|0.074718|0.061119|0.053758|0.053992|0.500000|
|2.520167|2.669524|5.917207|3.457224|5.206598|4.542318|4.340694|7.708360|8.882006|6.709732|45.232164|7.857347|14.880174|6.854696|3.828164|3.704067|3.250280|4.883473|0.108189|3.372799|3.285276|2.868047|2.592910|2.607711|2.947016|3.968885|0.073373|17.723782|4.759789|3.289419|0.061231|0.072351|0.072253|0.070048|0.068958|0.152092|0.095108|0.093762|0.120992|0.088194|0.078655|0.095612|0.074810|0.064936|0.065670|0.301501|0.500000|
|2.256696|2.462155|5.358140|3.314401|5.198115|4.412721|4.674400|9.124389|8.912194|5.792570|33.890675|6.691634|9.810914|5.051216|2.975749|2.863086|2.662088|4.092242|0.091450|2.909606|3.003397|2.668338|2.358153|2.296368|2.519095|3.311911|0.061510|17.557995|6.276240|3.615402|0.055701|0.064043|0.063445|0.066076|0.064584|0.106793|0.074888|0.076695|0.088958|0.069734|0.066336|0.090672|0.072155|0.060117|0.057890|0.301707|0.302977|0.500000|
|2.242688|2.532284|5.411309|3.528494|5.790430|4.640788|6.326207|12.325030|6.315242|4.647079|23.925385|5.036794|5.678429|4.149295|2.474251|2.225285|2.031340|2.950120|0.066055|2.029262|2.020815|1.825886|1.673121|1.667887|1.824557|2.494663|0.047664|5.697069|17.601321|5.745222|0.056117|0.060278|0.064239|0.066276|0.070696|0.090438|0.065975|0.065364|0.065345|0.056396|0.053079|0.059962|0.049405|0.043325|0.043208|0.185351|0.122085|0.145307|0.500000|
|2.135197|2.398764|5.131968|3.344582|5.488383|4.453662|5.716448|12.405379|7.161795|4.816371|25.318765|5.344145|6.341037|4.100986|2.460355|2.277973|2.123257|3.170079|0.071073|2.222230|2.272848|2.052641|1.846754|1.809744|1.966600|2.633044|0.049794|7.363388|17.681708|4.834980|0.053405|0.058705|0.060103|0.064243|0.065277|0.087246|0.064017|0.065086|0.067848|0.057020|0.054808|0.068485|0.056132|0.047815|0.046428|0.217400|0.144807|0.224234|0.300106|0.500000|
|2.217247|2.569499|5.436078|3.721376|6.399727|4.835146|7.162019|12.449661|5.773028|4.499504|23.069962|5.105421|5.422074|3.817676|2.320564|2.099565|1.976445|2.936350|0.066482|2.033834|2.069981|1.863397|1.678910|1.650722|1.799215|2.427855|0.046052|4.872774|17.685656|7.319000|0.055825|0.059824|0.061863|0.069190|0.071554|0.079704|0.060865|0.062860|0.060913|0.052899|0.052043|0.062686|0.050997|0.043525|0.042479|0.137465|0.106622|0.137700|0.300432|0.303232|0.500000|
|2.644872|3.198390|6.712587|4.814563|8.680874|5.729649|8.904832|9.403809|4.758913|4.446412|22.735282|5.169352|4.963493|4.012513|2.448053|2.121295|1.975490|2.866673|0.065419|1.932531|1.910813|1.707312|1.559297|1.560762|1.723617|2.379373|0.045425|3.696186|6.772633|17.570627|0.066612|0.068534|0.074285|0.083883|0.093917|0.083307|0.065536|0.067584|0.059812|0.053921|0.053160|0.057225|0.046096|0.040256|0.040413|0.103711|0.087745|0.095986|0.187300|0.136623|0.214391|0.500000|
|2.594797|3.199632|6.662410|5.024883|9.740290|5.864286|8.906044|9.006795|4.668586|4.457058|23.052507|5.475670|5.060750|3.841887|2.377494|2.093031|2.006210|2.989548|0.068990|2.032132|2.053128|1.823842|1.636579|1.616082|1.780144|2.420490|0.045785|3.606423|6.208028|17.553938|0.065594|0.068553|0.070477|0.088063|0.091297|0.077146|0.062203|0.066806|0.058860|0.052703|0.054073|0.062764|0.049699|0.042224|0.041502|0.095804|0.085783|0.098657|0.145668|0.135634|0.221564|0.301021|0.500000|
|3.177344|4.138533|8.598909|6.907809|14.597313|6.887320|8.953367|7.671586|4.358530|4.625782|24.197847|5.824949|5.053572|4.238123|2.622539|2.228497|2.110398|3.084975|0.071629|2.049248|2.017111|1.779683|1.615177|1.619586|1.806267|2.501893|0.047495|3.295827|4.746645|17.705035|0.079753|0.080855|0.086438|0.110393|0.124468|0.084514|0.069489|0.074785|0.061481|0.056326|0.057692|0.060904|0.047854|0.041462|0.041746|0.087990|0.081372|0.086067|0.122952|0.106029|0.144048|0.300743|0.303341|0.500000|
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