Version2.2
2021-02-10T02:00:58Z
10.1021/jm300687e
Gaussian16
RevisionB.01
SBUNGAY
06-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CC[C@@H](C(=O)Nc1c(c(c(s1)C)C)C(=O)N)n2c(nnc2SCC(=O)OCC)N C40174570
RHF
6-31G(d)
(6D,7F)
CC[C@@H](C(=O)Nc1c(c(c(s1)C)C)C(=O)N)n2c(nnc2SCC(=O)OCC)N
C01[X(C17H24N6O4S2)]
153
C1
491
CCOC(=O)CSc1nnc(n1[C@H](C(=O)Nc1sc(c(c1C(=O)N)C)C)CC)N
CCOC(=O)CSc1nnc(n1[C@H](C(=O)Nc1sc(c(c1C(=O)N)C)C)CC)N
CCOC(=O)CSc1nnc(N)n1[C@@H](CC)C(=O)Nc2sc(C)c(C)c2C(N)=O
InChIKey=NWDAEPPVIUKMEY-JTQLQIEISA-N
InChI=1S/C17H24N6O4S2/c1-5-10(14(26)20-15-12(13(18)25)8(3)9(4)29-15)23-16(19)21-22-17(23)28-7-11(24)27-6-2/h10H,5-7H2,1-4H3,(H2,18,25)(H2,19,21)(H,20,26)/t10-/m0/s1
InChI=1/C17H24N6O4S2/c1-5-10(14(26)20-15-12(13(18)25)8(3)9(4)29-15)23-16(19)21-22-17(23)28-7-11(24)27-6-2/h10H,5-7H2,1-4H3,(H2,18,25)(H2,19,21)(H,20,26)/t10-/m0/s1/f/h20H,18-19H2
CC[C@@H](C(=O)Nc1c(c(c(s1)C)C)C(=O)N)n2c(nnc2SCC(=O)OCC)N
C01[X(C17H24N6O4S2)]
153
C01
491
CCOC(=O)CSc1nnc(n1[C@H](C(=O)Nc1sc(c(c1C(=O)N)C)C)CC)N
CCOC(=O)CSC1=[N][N]=C(N1[C@H](C(=O)N[C]1SC(=[C]([C]1C(=O)N)C)C)CC)N
CCOC(=O)CSc1nnc(N)n1[C@@H](CC)C(=O)N[C]2SC(=C(C)[C]2C(N)=O)C
InChIKey=NWDAEPPVIUKMEY-JTQLQIEISA-N
InChI=1S/C17H24N6O4S2/c1-5-10(14(26)20-15-12(13(18)25)8(3)9(4)29-15)23-16(19)21-22-17(23)28-7-11(24)27-6-2/h10H,5-7H2,1-4H3,(H2,18,25)(H2,19,21)(H,20,26)/t10-/m0/s1
InChI=1/C17H24N6O4S2/c1-5-10(14(26)20-15-12(13(18)25)8(3)9(4)29-15)23-16(19)21-22-17(23)28-7-11(24)27-6-2/h10H,5-7H2,1-4H3,(H2,18,25)(H2,19,21)(H,20,26)/t10-/m0/s1/f/h20H,18-19H2
3143.4762053194
-2078.9325574
1-A
19023.0000
116
375
491
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10.99141
-4.5736 -4.7903 0.2887
6.6294
|XX|YY|ZZ|XY|XZ|YZ|
-144.3228 -176.9333 -188.7709 -3.7549 6.5687 11.0102
|XX|YY|ZZ|XY|XZ|YZ|
25.6862 -6.9243 -18.7619 -3.7549 6.5687 11.0102
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
48.9567 -95.9226 -2.9237 -79.3508 -206.7430 -54.3890 5.7217 0.6644 6.7159 37.5707
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-15599.8953 -4631.2353 -1806.8994 -574.4060 224.3383 -13.4576 -138.3825 15.6425 12.5043 -3561.5490 -3325.6529 -1138.4965 173.7565 -42.2366 -78.0280
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440.13005
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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
8.7164 11.0155 23.8467 37.3102 47.7988 49.9888 55.3593 60.3468 63.2538 66.7160 77.9067 86.9060 90.6504 109.9306 115.4641 119.4534 154.5542 162.5158 165.4036 177.9507 205.4551 213.4643 229.2597 242.6730 260.6219 265.0261 273.9133 281.8943 298.7339 318.8096 332.3186 347.2301 355.9510 368.9031 382.8588 391.3757 402.0860 408.7474 424.5448 426.4892 452.2910 463.5215 514.8073 536.8394 564.5861 581.4414 589.4828 627.5593 637.1101 638.8257 700.4178 720.8636 752.0876 767.1541 772.9372 775.2058 790.7664 804.2961 812.2411 824.2970 854.6162 871.3650 880.9727 884.2881 914.7764 946.9617 968.8226 979.5723 1007.0926 1025.7321 1031.1470 1042.4278 1094.6834 1101.5603 1120.4626 1138.8080 1149.1458 1151.1203 1174.5739 1199.6250 1208.4267 1212.8481 1224.1293 1239.0727 1245.2511 1272.7674 1295.7312 1296.7553 1299.7920 1320.0259 1352.8621 1386.5100 1402.4770 1424.9085 1426.1683 1454.2785 1463.0754 1465.5483 1506.0452 1529.0008 1532.0006 1549.9181 1567.3678 1570.7614 1576.0696 1583.3560 1585.7787 1599.3142 1612.9491 1627.4802 1629.8091 1630.0090 1635.4282 1637.6974 1642.8031 1643.7090 1649.8809 1651.5110 1652.4115 1672.3673 1723.0640 1746.8999 1776.1155 1782.9674 1800.0133 1845.0125 1904.4607 1957.2903 2010.4345 3189.4086 3207.4656 3211.2195 3216.9960 3225.6671 3261.9462 3266.6480 3270.6125 3271.6375 3282.5812 3284.6618 3285.2171 3285.8638 3286.8185 3289.9972 3309.7804 3309.9055 3318.2603 3337.6533 3759.1570 3762.2428 3838.4762 3862.4514 3975.8051
5.2667 5.6877 5.4562 4.4000 4.1352 1.2518 4.2525 4.1127 4.6526 3.8766 3.7553 3.2895 3.7216 5.6236 4.6967 4.0270 2.2101 4.8505 4.3128 4.3682 2.2241 4.3682 4.6559 1.3911 3.5713 2.2388 2.3469 1.2264 3.8053 3.8862 3.2796 4.0044 4.9901 4.5303 4.2451 4.0744 4.5806 4.9757 1.3096 1.4464 4.1980 3.7014 9.3128 5.4018 6.6936 5.1339 1.3650 3.9715 5.4497 2.4062 3.9081 3.9314 10.9983 3.0993 3.2677 3.4164 2.6729 2.6087 2.5827 3.7223 6.5379 5.3316 1.0913 6.6231 1.7005 4.2488 1.5857 2.3481 2.0943 1.9041 2.5617 4.6066 5.3172 4.6498 2.6840 1.3547 1.9300 3.2484 1.5079 4.5665 2.0564 2.1941 1.8428 2.2977 2.1427 3.6971 1.2398 1.7786 1.4176 2.5639 2.2568 2.2815 3.6507 1.9806 1.0899 3.1010 1.7480 3.1074 1.9186 1.4955 3.8105 1.3838 1.3086 1.2928 1.2986 2.1451 1.3242 1.2215 5.3620 1.7288 1.0406 1.0705 1.0993 1.1986 1.0566 1.1056 1.0888 1.0473 1.0646 1.0945 8.2966 2.3183 2.6106 3.6245 1.3236 2.0423 5.6244 8.2590 12.2021 1.0545 1.0387 1.0386 1.0363 1.0701 1.0621 1.0988 1.1018 1.0855 1.0877 1.1031 1.0793 1.0794 1.1058 1.1008 1.0969 1.1018 1.1104 1.1065 1.0752 1.0549 1.0500 1.0963 1.1012
0.0002 0.0004 0.0018 0.0036 0.0056 0.0018 0.0077 0.0088 0.0110 0.0102 0.0134 0.0146 0.0180 0.0400 0.0369 0.0339 0.0311 0.0755 0.0695 0.0815 0.0553 0.1173 0.1442 0.0483 0.1429 0.0926 0.1037 0.0574 0.2001 0.2327 0.2134 0.2845 0.3725 0.3632 0.3666 0.3677 0.4363 0.4898 0.1391 0.1550 0.5060 0.4686 1.4542 0.9172 1.2571 1.0226 0.2795 0.9215 1.3033 0.5786 1.1296 1.2037 3.6653 1.0747 1.1502 1.2096 0.9848 0.9943 1.0039 1.4901 2.8134 2.3851 0.4990 3.0514 0.8384 2.2448 0.8769 1.3275 1.2515 1.1803 1.6048 2.9493 3.7541 3.3243 1.9853 1.0352 1.5016 2.5361 1.2257 3.8719 1.7693 1.9016 1.6269 2.0784 1.9576 3.5287 1.2264 1.7621 1.4111 2.6322 2.4336 2.5841 4.2308 2.3693 1.3061 3.8641 2.2045 3.9323 2.5640 2.0599 5.2692 1.9586 1.8940 1.8794 1.9005 3.1685 1.9619 1.8408 8.2189 2.6980 1.6285 1.6758 1.7324 1.8941 1.6801 1.7600 1.7463 1.6831 1.7127 1.8035 14.5128 4.1683 4.8521 6.7886 2.5266 4.0960 12.0191 18.6417 29.0578 6.3199 6.2959 6.3104 6.3189 6.5603 6.6583 6.9084 6.9438 6.8455 6.9057 7.0122 6.8630 6.8667 7.0382 7.0200 7.0799 7.1118 7.2035 7.2622 8.9519 8.7973 9.1152 9.6366 10.2558
0.4894 0.3754 1.5000 0.2198 1.7791 0.6358 2.2090 2.0575 1.7718 1.9949 2.7771 1.2209 1.0519 2.6149 3.3224 1.4219 7.8362 5.5984 7.6269 1.0133 0.1403 6.6930 2.0727 2.2773 10.9398 1.0260 5.7583 1.2282 12.9497 0.9533 19.7236 6.2309 3.3723 2.5563 20.4170 30.9674 7.4721 38.1269 167.9244 128.1313 2.1684 27.2384 6.7390 2.5739 2.4068 11.5526 35.5991 23.3025 10.1118 10.1705 25.3170 32.2014 2.5985 14.9267 0.8108 71.9888 36.5934 8.6696 2.9759 5.9433 30.6754 2.7284 0.0171 64.0625 54.6286 31.3022 220.7137 9.4671 2.0136 12.6764 0.6224 3.6852 6.6997 8.4940 21.1266 0.9278 2.9683 53.8501 0.9267 7.8629 9.9856 20.3569 4.2748 24.0105 24.3450 5.4878 0.6178 21.9302 5.6339 56.1119 691.3620 3.1193 253.8204 36.7373 1.5589 56.5315 15.6149 317.1285 299.2978 8.0904 115.3570 37.4543 7.3758 2.2280 5.2353 28.3229 10.8664 72.9125 164.0023 21.4561 4.3340 12.4877 6.1239 11.9076 2.5216 16.6015 9.2220 1.1767 22.7400 2.9672 71.3472 1002.6826 104.2962 113.4588 156.4214 238.3794 369.8601 164.9758 257.3425 48.5456 39.7998 29.4321 24.1117 25.4599 10.6815 32.8850 27.7447 9.9583 3.5958 17.2641 41.4284 16.3636 5.6647 27.9486 20.6650 21.2537 53.0686 0.0815 129.3594 107.1909 69.8132 80.5689 58.8790
1.7246 2.1741 0.8310 1.0933 0.1346 0.5725 0.9930 0.9334 0.1048 1.0729 0.8649 0.2803 0.3358 0.6335 0.5234 0.2045 0.2195 0.1816 0.3059 0.9925 0.5470 0.4538 0.7660 0.8655 1.0267 0.4613 0.8084 0.0438 0.8662 0.4954 1.6802 0.7488 0.3827 0.6441 3.3275 1.2448 1.1041 2.2378 3.0754 1.2147 1.3949 0.4203 1.7096 3.5190 13.7921 0.6803 3.9566 5.3538 1.8715 0.5896 6.0110 2.1766 0.6249 1.8365 8.5202 3.4651 6.2168 4.2988 1.5288 1.6376 1.1543 15.7079 0.2083 3.1239 3.5072 0.2468 4.2892 28.2518 6.5178 1.4644 1.9824 2.9160 2.9459 0.8632 10.6453 4.2065 0.5052 4.9269 1.2340 2.5302 4.1802 4.7984 2.4297 2.2787 10.5024 13.5719 6.4959 2.8911 4.2622 3.0772 4.5483 1.7234 6.0763 4.6443 12.9785 13.5630 9.8371 11.9735 2.2933 9.5224 76.0719 0.2939 27.7762 2.6898 2.2279 15.5921 6.9384 5.5175 118.3068 22.9411 21.7599 30.5862 16.7993 15.2596 20.2718 10.9830 4.3283 12.8749 7.2882 3.3765 14.7328 44.9826 43.3200 13.6458 7.8429 17.7323 7.2123 42.1150 2.7682 126.9317 170.7637 83.9640 113.3252 109.1260 95.3689 92.6929 87.6349 84.4188 68.1299 53.2748 61.7591 67.8370 91.7151 56.5324 11.7805 67.4132 11.3158 37.4894 132.0970 58.0105 109.4482 70.8933 40.3725
0.7454 0.7500 0.7490 0.7467 0.6903 0.7488 0.7401 0.7233 0.7384 0.7194 0.6751 0.7248 0.7443 0.4687 0.6704 0.3852 0.7496 0.5605 0.7355 0.0202 0.1564 0.7102 0.4293 0.6439 0.2574 0.5440 0.4284 0.7494 0.5997 0.7424 0.6916 0.2188 0.7476 0.7479 0.3424 0.4975 0.2567 0.4688 0.4484 0.7284 0.3345 0.7500 0.4215 0.7296 0.3399 0.6367 0.6649 0.6136 0.6733 0.7493 0.1836 0.5844 0.4697 0.6268 0.2901 0.1466 0.0641 0.1740 0.5513 0.7422 0.6879 0.2192 0.7498 0.6086 0.2776 0.6789 0.3270 0.2829 0.5757 0.7314 0.2580 0.7077 0.6469 0.7500 0.5048 0.7041 0.7460 0.7126 0.5414 0.6994 0.3058 0.4393 0.4180 0.6265 0.1375 0.4399 0.7499 0.5778 0.7492 0.2955 0.6401 0.5519 0.4665 0.7484 0.7498 0.5444 0.5431 0.1162 0.4672 0.2225 0.5106 0.4448 0.6631 0.5023 0.7499 0.2496 0.7447 0.6168 0.1173 0.7055 0.7499 0.7122 0.6398 0.7406 0.7222 0.7439 0.7449 0.7356 0.6525 0.7175 0.2333 0.4712 0.1847 0.6334 0.5973 0.4969 0.2560 0.2268 0.6722 0.1198 0.0541 0.0530 0.0268 0.2037 0.1741 0.7449 0.6516 0.3961 0.1275 0.7083 0.1275 0.6335 0.7500 0.7296 0.7366 0.6827 0.7492 0.7482 0.1167 0.1370 0.1668 0.6930 0.7466
0.8541 0.8571 0.8565 0.8550 0.8168 0.8564 0.8507 0.8394 0.8495 0.8368 0.8060 0.8405 0.8534 0.6383 0.8027 0.5562 0.8569 0.7184 0.8476 0.0397 0.2704 0.8306 0.6007 0.7834 0.4094 0.7046 0.5999 0.8567 0.7498 0.8522 0.8177 0.3591 0.8556 0.8558 0.5101 0.6644 0.4085 0.6383 0.6192 0.8428 0.5013 0.8571 0.5930 0.8437 0.5073 0.7780 0.7987 0.7605 0.8047 0.8567 0.3102 0.7377 0.6392 0.7706 0.4498 0.2558 0.1204 0.2965 0.7107 0.8520 0.8151 0.3595 0.8570 0.7567 0.4346 0.8088 0.4928 0.4410 0.7307 0.8449 0.4102 0.8288 0.7856 0.8571 0.6710 0.8263 0.8545 0.8322 0.7025 0.8231 0.4683 0.6104 0.5895 0.7704 0.2417 0.6110 0.8571 0.7324 0.8566 0.4561 0.7805 0.7113 0.6362 0.8561 0.8570 0.7050 0.7039 0.2082 0.6368 0.3640 0.6760 0.6157 0.7974 0.6687 0.8571 0.3995 0.8537 0.7630 0.2100 0.8273 0.8571 0.8319 0.7803 0.8510 0.8387 0.8532 0.8538 0.8476 0.7897 0.8355 0.3783 0.6406 0.3118 0.7756 0.7478 0.6639 0.4076 0.3697 0.8040 0.2139 0.1026 0.1007 0.0522 0.3385 0.2966 0.8538 0.7890 0.5674 0.2262 0.8292 0.2262 0.7756 0.8571 0.8437 0.8483 0.8114 0.8566 0.8560 0.2089 0.2409 0.2859 0.8187 0.8549
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
6 6 6 1 6 8 7 6 6 6 6 16 6 6 6 8 7 7 6 7 7 6 16 6 6 8 8 6 6 7 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 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 14.00307 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
9099.6601 27044.4125 31877.8125
1.00000 -0.00264 0.00051 0.00263 0.99966 0.02590 -0.00057 -0.02589 0.99966
1
0.00952 0.00320 0.00272
0.19833 0.06673 0.05661
12.54 15.85 34.31 53.68 68.77 71.92 79.65 86.83 91.01 95.99 112.09 125.04 130.43 158.17 166.13 171.87 222.37 233.82 237.98 256.03 295.60 307.13 329.85 349.15 374.98 381.31 394.10 405.58 429.81 458.70 478.13 499.59 512.13 530.77 550.85 563.10 578.51 588.10 610.83 613.62 650.75 666.90 740.69 772.39 812.31 836.56 848.13 902.92 916.66 919.13 1007.75 1037.16 1082.09 1103.76 1112.08 1115.35 1137.74 1157.20 1168.63 1185.98 1229.60 1253.70 1267.52 1272.29 1316.16 1362.47 1393.92 1409.39 1448.98 1475.80 1483.59 1499.82 1575.01 1584.90 1612.10 1638.49 1653.36 1656.21 1689.95 1725.99 1738.66 1745.02 1761.25 1782.75 1791.64 1831.23 1864.27 1865.74 1870.11 1899.22 1946.47 1994.88 2017.85 2050.13 2051.94 2092.38 2105.04 2108.60 2166.86 2199.89 2204.21 2229.99 2255.09 2259.98 2267.61 2278.10 2281.58 2301.06 2320.67 2341.58 2344.93 2345.22 2353.02 2356.28 2363.63 2364.93 2373.81 2376.16 2377.45 2406.16 2479.10 2513.40 2555.43 2565.29 2589.82 2654.56 2740.09 2816.10 2892.57 4588.85 4614.83 4620.23 4628.54 4641.02 4693.21 4699.98 4705.68 4707.16 4722.90 4725.90 4726.69 4727.63 4729.00 4733.57 4762.04 4762.22 4774.24 4802.14 5408.59 5413.03 5522.71 5557.21 5720.30
0.453613
0.483600
0.484544
0.387206
-2078.478945
-2078.448957
-2078.448013
-2078.545351
3.264733D-04
MUNgauss
RevisionA2.1
retrievium
10-Feb-2021
DUDE CC[C@@H](C(=O)Nc1c(c(c(s1)C)C)C(=O)N)n2c(nnc2SCC(=O)OCC)N C40174570
RHF
6-31G(d)
(6D,10F)
C1
440.130047
|X|Y|Z|
62.759300 36.866381 117.154176
64.717558
13
|36.858105|
|12.473761|36.858105|
|7.452245|12.357368|36.858105|
|6.916400|8.926523|17.623851|0.500000|
|4.892522|7.562558|12.459277|0.248304|36.858105|
|4.113303|5.883095|7.941646|0.165480|15.874570|73.516695|
|4.204618|5.946647|7.874875|0.211839|14.075680|15.056556|53.358707|
|3.267989|4.295036|5.070578|0.136737|7.796655|11.935774|18.733809|36.858105|
|2.832994|3.505766|3.933427|0.111821|5.146963|8.061594|10.630790|13.940576|36.858105|
|2.376473|2.866392|3.131321|0.086857|3.987874|6.792300|7.057215|8.134788|13.055167|36.858105|
|2.336135|2.849083|3.122818|0.083681|4.105834|7.496602|6.751289|7.688504|8.181987|14.169684|36.858105|
|2.793498|3.581864|4.082628|0.104213|6.054337|12.008276|9.475580|11.047267|7.408004|7.409148|10.957421|388.023441|
|2.010882|2.389491|2.566965|0.068423|3.218798|6.067301|4.920232|4.832267|5.011204|7.401003|12.639424|48.478718|36.858105|
|2.055459|2.393332|2.553080|0.071813|3.058832|5.216207|5.137830|5.032327|7.215564|12.610826|7.616491|33.626412|6.147094|36.858105|
|2.889864|3.439781|3.801100|0.115025|4.478911|6.697213|8.928952|7.714694|12.824204|7.191544|5.064874|33.957515|3.676978|5.849177|36.858105|
|3.391967|4.023535|4.410651|0.140430|4.871958|6.889166|9.719427|6.726353|8.063963|5.127210|4.071746|29.899466|3.095826|4.298209|15.705511|73.516695|
|2.435852|2.782904|3.023053|0.091233|3.421720|5.344617|6.137520|5.204448|7.810662|6.242246|4.380341|27.185578|3.408739|6.299781|14.080372|15.253709|53.358707|
|6.287930|7.600492|13.110758|0.259719|7.763262|12.067357|7.219363|3.941969|3.174321|2.660235|2.711541|24.811930|2.310178|2.218369|3.047076|6.033022|3.456626|53.358707|
|5.230746|5.993561|7.438733|0.157519|5.904179|10.980825|5.715872|3.381845|2.756141|2.402714|2.512021|22.962624|2.202733|2.024769|2.589259|4.976438|3.000990|18.919390|36.858105|
|4.271215|4.434618|5.292526|0.126421|4.396500|8.113710|4.633900|2.847768|2.398640|2.125914|2.212620|19.534786|1.975218|1.825704|2.285388|4.359367|2.709782|11.869362|14.889409|53.358707|
|4.229168|4.221827|5.319140|0.138865|4.247203|7.344265|4.658665|2.829073|2.422477|2.119623|2.163450|18.723966|1.914905|1.831632|2.364466|4.562934|2.817649|11.875309|8.899663|18.864435|53.358707|
|5.093200|5.251567|7.531548|0.205172|5.382828|8.601286|5.785353|3.332922|2.812854|2.388563|2.403732|21.047492|2.078041|2.037361|2.777421|5.482108|3.241981|18.867426|8.881013|12.125355|20.364053|36.858105|
|4.397367|4.363223|5.919425|0.202365|4.560172|6.921417|5.572725|3.250996|2.871863|2.400654|2.337091|19.593841|2.005180|2.080815|2.984573|6.022647|3.534953|9.396640|4.940755|6.712570|9.546524|10.809689|388.023441|
|3.339701|3.202303|3.920003|0.120446|3.287008|5.357711|4.069625|2.534753|2.296457|1.997686|1.965981|16.076004|1.736657|1.773185|2.363398|4.608746|2.905838|6.438482|4.025873|6.135400|9.087946|7.094521|74.777408|36.858105|
|2.840804|2.716289|3.207483|0.100450|2.792415|4.536316|3.619660|2.312595|2.159865|1.891150|1.834763|14.574696|1.628739|1.709453|2.272967|4.418392|2.862703|4.859081|3.084530|4.523535|5.946386|4.685543|49.778220|12.624406|36.858105|
|2.816355|2.709446|3.184546|0.102763|2.800118|4.466993|3.745332|2.398463|2.279190|1.977563|1.888745|14.802810|1.664535|1.798243|2.457048|4.821812|3.120556|4.580760|2.848783|4.024076|5.076540|4.193138|46.676883|7.938388|16.040967|73.516695|
|2.449107|2.334182|2.681462|0.081322|2.383937|3.963867|3.084773|2.013210|1.891868|1.687826|1.649456|12.981637|1.486097|1.541414|1.971397|3.774158|2.514785|4.084389|2.715441|4.069492|5.171363|3.804941|34.631242|8.201695|14.446703|15.268976|73.516695|
|2.137154|2.041747|2.298715|0.069729|2.084399|3.471202|2.754318|1.829413|1.750531|1.575772|1.529560|11.813557|1.387055|1.459763|1.841375|3.502213|2.391285|3.388593|2.269116|3.328085|4.033729|3.004218|26.719596|5.194728|8.109558|12.705294|23.722009|36.858105|
|1.897516|1.812997|2.010738|0.059707|1.842344|3.117957|2.419235|1.625259|1.554679|1.418446|1.388293|10.686950|1.273818|1.320784|1.616465|3.043555|2.107708|2.984929|2.056364|3.052249|3.608846|2.599376|21.577355|4.084355|5.278416|8.180961|14.289710|12.587363|36.858105|
|4.877958|5.920978|6.218581|0.129859|5.632705|11.518228|5.498750|3.372047|2.728438|2.424120|2.586337|23.985987|2.294447|2.037059|2.504845|4.744630|2.901767|10.719722|13.811798|10.957020|7.441390|5.471132|26.424878|3.119660|2.527027|4.232666|4.034561|1.949480|1.790548|53.358707|
|17.546052|8.763229|6.798615|0.206621|4.539378|6.622021|5.622661|3.206222|2.848806|2.362360|2.278442|18.969361|1.952442|2.062474|3.009977|6.449657|3.473560|7.740768|4.497753|5.263497|5.559640|5.069040|34.823730|3.605656|3.127304|5.626190|4.701252|2.312866|2.020545|5.465650|0.500000|
|17.582924|8.769660|6.681443|0.167147|4.466776|7.013810|5.058577|2.953887|2.556483|2.184648|2.176368|18.563262|1.899460|1.897919|2.572431|5.236320|2.997743|9.361375|6.140300|6.992489|6.800050|5.757098|32.467555|3.605385|2.970346|5.087953|4.595645|2.220330|1.986548|7.436886|0.301145|0.500000|
|17.565214|8.847484|5.459976|0.141970|4.082141|6.331490|4.968581|2.963922|2.623766|2.239526|2.201062|18.350624|1.917131|1.963490|2.678885|5.528183|3.116428|6.426255|4.253602|4.880173|4.730485|3.970210|25.126203|2.833015|2.477792|4.388475|3.875355|1.935405|1.738881|5.770649|0.301649|0.302191|0.500000|
|8.855831|17.541059|8.935130|0.217144|7.112952|9.583098|8.931360|4.755035|3.949324|3.152846|3.062443|26.798378|2.525823|2.624430|3.944122|8.446158|4.242506|7.617253|4.556364|4.866748|4.734234|4.250134|27.411747|2.868710|2.518403|4.562404|3.857855|1.931644|1.713080|6.273942|0.210092|0.172939|0.214638|0.500000|
|8.845362|17.617691|8.826182|0.174728|6.923059|10.997856|7.127054|4.049233|3.274507|2.770207|2.833375|25.772431|2.417742|2.312175|3.096434|6.172521|3.461293|9.277533|6.353932|6.179037|5.476476|4.680333|26.446822|2.888074|2.448443|4.285215|3.818239|1.885206|1.699039|10.033215|0.172789|0.211447|0.212569|0.303006|0.500000|
|4.424617|5.968126|7.497418|0.237039|9.281126|10.795291|25.882601|9.520564|7.419500|4.784623|4.290970|37.617101|3.214625|3.676064|7.698585|18.015345|6.866460|6.758532|3.839571|4.342298|4.495386|4.163276|30.564168|3.065997|2.778378|5.223296|4.158235|2.100744|1.825509|4.913383|0.126778|0.105468|0.106379|0.193904|0.136670|0.500000|
|1.948309|2.300628|2.406214|0.064011|2.953335|5.520938|4.480837|4.253573|4.464721|6.319412|8.836448|39.730320|17.542122|5.792153|3.413197|5.186627|4.349986|2.937258|2.070464|2.526095|2.437507|1.936232|13.259165|1.620750|1.523262|2.767982|2.479110|1.305577|1.202807|2.968279|0.052374|0.050936|0.052222|0.068140|0.065100|0.082705|0.500000|
|1.994425|2.371805|2.562644|0.067327|3.224971|6.316215|4.721701|4.452077|4.283832|5.574337|8.869241|48.460735|17.578544|4.605783|3.230719|4.995506|4.030479|3.200796|2.282386|2.791297|2.675474|2.109985|14.224376|1.746555|1.624440|2.923963|2.646452|1.382962|1.276167|3.267501|0.053345|0.052881|0.052687|0.068443|0.067575|0.084353|0.302526|0.500000|
|1.852114|2.163046|2.336755|0.063227|2.860231|5.308712|4.375560|4.167999|4.521257|6.648932|8.850280|37.590665|17.577864|6.393252|3.485404|5.175362|4.599087|2.895570|2.022578|2.503483|2.453378|1.948765|13.580780|1.672873|1.585778|2.891749|2.582971|1.365661|1.255978|2.826784|0.050427|0.048794|0.049023|0.063231|0.060205|0.081277|0.301152|0.303020|0.500000|
|2.077831|2.398293|2.506155|0.071112|2.930674|4.903245|4.943018|4.618597|6.637952|8.825825|5.787556|29.122690|4.780394|17.592918|6.170122|8.122787|9.621243|2.934728|1.959006|2.402678|2.416909|1.981094|14.497034|1.732681|1.678845|3.156926|2.688270|1.437243|1.298411|2.682649|0.058259|0.052822|0.055602|0.074176|0.063904|0.101553|0.132977|0.105137|0.133064|0.500000|
|1.904888|2.206088|2.325844|0.064524|2.770761|4.845343|4.477983|4.271999|5.454471|8.892419|7.260564|31.341898|7.149801|17.615344|4.450791|6.240152|6.335878|2.792464|1.904770|2.347173|2.333078|1.883181|13.490151|1.639101|1.576395|2.924823|2.548990|1.359556|1.240103|2.638388|0.052640|0.049205|0.050916|0.066612|0.060105|0.087637|0.201584|0.141369|0.217100|0.302954|0.500000|
|1.942486|2.230158|2.413542|0.068726|2.846607|4.846578|4.719136|4.439599|6.126679|8.777975|6.086116|29.423459|5.215021|17.504244|5.440478|7.187834|8.752082|2.897772|1.938733|2.407283|2.439970|1.989114|14.671247|1.775127|1.729609|3.251247|2.778011|1.489124|1.345752|2.620418|0.054600|0.050183|0.051283|0.067059|0.059470|0.094928|0.131331|0.114453|0.162751|0.301223|0.303856|0.500000|
|2.209471|2.517320|2.751960|0.081696|3.154088|5.072652|5.492831|4.840709|7.206403|6.774744|4.645691|27.109788|3.680251|7.669279|9.278715|10.924872|26.146732|3.220999|2.084992|2.582514|2.675310|2.233028|17.156658|2.022832|1.997255|3.845121|3.149320|1.691453|1.500825|2.754101|0.063690|0.056242|0.057785|0.076916|0.064919|0.119320|0.094489|0.087384|0.104731|0.224124|0.149913|0.247667|0.500000|
|2.401658|2.675722|2.885355|0.088742|3.137628|4.872307|5.445287|4.303284|5.738891|4.709027|3.572429|23.090301|2.893662|4.815938|9.557357|14.177231|26.022808|3.328112|2.114586|2.622868|2.756534|2.331054|18.497925|2.149619|2.152004|4.229562|3.354305|1.809896|1.586367|2.757224|0.071036|0.060297|0.062824|0.082906|0.067256|0.127736|0.076131|0.071318|0.080052|0.150218|0.105665|0.139288|0.312285|0.500000|
|3.020045|2.989446|3.695485|0.109364|3.233643|5.432349|3.960926|2.509093|2.258803|1.989809|1.982397|16.292376|1.763923|1.761548|2.279508|4.357679|2.810752|6.223864|4.074373|6.441059|9.536668|6.707732|56.256439|17.634614|8.934888|10.965705|13.076595|4.822395|4.011456|4.292555|0.087851|0.090730|0.071953|0.074424|0.076666|0.080953|0.045474|0.049688|0.047293|0.047384|0.045452|0.049122|0.054966|0.057208|0.500000|
|3.437588|3.167470|3.712280|0.110987|3.051585|5.026725|3.734249|2.332590|2.112953|1.852001|1.831132|14.962882|1.630285|1.651657|2.167424|4.233827|2.669076|6.210076|4.058108|6.412596|9.527507|6.700896|56.237147|17.636191|8.934385|10.950571|13.105246|4.827085|4.017659|4.287369|0.102330|0.106572|0.081488|0.077842|0.080152|0.077962|0.042586|0.045646|0.043483|0.045037|0.042674|0.045661|0.051556|0.054848|0.304455|0.500000|
|2.177006|2.050657|2.275739|0.069639|2.044022|3.373305|2.720673|1.801433|1.734140|1.554887|1.499461|11.529922|1.356632|1.446288|1.844898|3.540237|2.401971|3.301728|2.194935|3.178482|3.818139|2.890214|26.003051|4.756078|7.270393|12.846137|16.521131|17.620894|8.808199|2.582995|0.066278|0.062437|0.055030|0.054198|0.052258|0.058253|0.035625|0.037402|0.037059|0.039821|0.037352|0.040900|0.046901|0.050892|0.116782|0.126590|0.500000|
|2.056526|1.998379|2.270355|0.069172|2.095129|3.487179|2.803012|1.878197|1.811079|1.633107|1.578740|12.103171|1.430508|1.517707|1.911084|3.608270|2.501749|3.302425|2.197097|3.182067|3.818935|2.889831|25.984352|4.756260|7.269212|12.842116|16.521162|17.620610|8.808268|2.583614|0.061744|0.058681|0.051747|0.052960|0.051223|0.059422|0.037256|0.039527|0.039328|0.041394|0.039159|0.043314|0.049393|0.052714|0.126592|0.116876|0.302325|0.500000|
|1.843077|1.782023|1.991369|0.058588|1.844323|3.151873|2.409967|1.627306|1.550606|1.422243|1.400703|10.806855|1.290180|1.321491|1.596562|2.982712|2.079589|2.983672|2.076717|3.109476|3.663680|2.599122|21.087714|4.014492|4.904979|7.445427|12.882417|8.853508|17.576667|2.460802|0.053958|0.053749|0.046851|0.046648|0.046704|0.050063|0.033739|0.036061|0.035383|0.035896|0.034553|0.037452|0.041356|0.043209|0.115525|0.108119|0.172965|0.211128|0.500000|
|1.928715|1.818961|1.995004|0.058872|1.809004|3.066641|2.356784|1.576383|1.501272|1.369444|1.344196|10.391043|1.234957|1.273325|1.557184|2.943755|2.020948|2.983132|2.074865|3.106083|3.662931|2.599377|21.097581|4.014330|4.905298|7.446193|12.882200|8.853607|17.576742|2.460246|0.056920|0.056605|0.049257|0.047491|0.047488|0.049355|0.032508|0.034419|0.033696|0.034851|0.033287|0.035851|0.039853|0.042184|0.107892|0.115707|0.211131|0.172967|0.300925|0.500000|
|1.743281|1.669419|1.834648|0.054468|1.696129|2.871748|2.249032|1.524191|1.471222|1.349532|1.316541|10.033618|1.212801|1.266804|1.535721|2.880206|2.021029|2.682752|1.850422|2.713086|3.148602|2.289552|18.896924|3.378377|4.276934|7.086758|10.210687|8.902238|17.556576|2.221348|0.051579|0.050282|0.044744|0.044193|0.043531|0.047254|0.031882|0.033664|0.033340|0.034668|0.033084|0.035958|0.040077|0.042416|0.091862|0.091961|0.211504|0.211507|0.300649|0.300656|0.500000|
|4.413096|5.781857|6.308942|0.129839|6.642675|15.614583|6.230428|3.869885|3.034809|2.705014|2.947275|28.582365|2.594576|2.230435|2.703823|5.044891|3.098259|9.612731|9.595676|8.475318|6.382001|4.902615|25.061810|2.918090|2.408653|4.087658|3.836236|1.871889|1.715528|25.907193|0.103299|0.128476|0.108066|0.131422|0.201746|0.108850|0.068101|0.076123|0.064332|0.059431|0.059053|0.058105|0.060240|0.059329|0.082526|0.079960|0.050542|0.051162|0.048237|0.047713|0.043662|0.500000|
|4.059395|4.583276|4.716560|0.105348|4.405074|9.037725|4.578204|2.917234|2.417489|2.193912|2.353446|21.289093|2.134753|1.870551|2.224787|4.167861|2.622303|8.025882|9.738907|10.523048|6.856367|4.665586|23.313587|2.899220|2.366265|3.927656|3.851824|1.867623|1.739192|25.942088|0.095176|0.128098|0.101695|0.104099|0.153038|0.084535|0.056585|0.062545|0.054007|0.050202|0.049881|0.049326|0.051199|0.051005|0.082572|0.082406|0.050308|0.050342|0.049028|0.048996|0.044057|0.320535|0.500000|
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