Version2.1
2021-01-08T03:49:30Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
23-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCCCNC(=O)[C@H](c1ccc(c(c1)OC)O)N(C)C(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-] C36528283
RHF
6-31G(d)
(6D,7F)
CCCCNC(=O)[C@H](c1ccc(c(c1)OC)O)N(C)C(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-]
C01[X(C21H24N4O8)]
165
C1
543
CCCCNC(=O)[C@@H](N(C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C)c1ccc(c(c1)OC)O
CCCCNC(=O)[C@@H](N(C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C)c1ccc(c(c1)OC)O
CCCCNC(=O)[C@@H](N(C)C(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)c2ccc(O)c(OC)c2
InChIKey=XRHBGKPDDORATD-IBGZPJMESA-N
InChI=1S/C21H24N4O8/c1-4-5-8-22-20(27)19(13-6-7-17(26)18(11-13)33-3)23(2)21(28)14-9-15(24(29)30)12-16(10-14)25(31)32/h6-7,9-12,19,26H,4-5,8H2,1-3H3,(H,22,27)/t19-/m0/s1
InChI=1/C21H24N4O8/c1-4-5-8-22-20(27)19(13-6-7-17(26)18(11-13)33-3)23(2)21(28)14-9-15(24(29)30)12-16(10-14)25(31)32/h6-7,9-12,19,26H,4-5,8H2,1-3H3,(H,22,27)/t19-/m0/s1/f/h22H
CCCCNC(=O)[C@H](c1ccc(c(c1)OC)O)N(C)C(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-]
C01[X(C21H24N4O8)]
165
C01
543
CCCCNC(=O)[C@@H](N(C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C)c1ccc(c(c1)OC)O
CCCCNC(=O)[C@@H](N(C(=O)[C]1[CH][C]([CH][C]([CH]1)[N]([O])[O])[N]([O])[O])C)[C]1[CH][CH][C]([C]([CH]1)OC)O
CCCCNC(=O)[C@H]([C]1[CH][CH][C](O)[C]([CH]1)OC)N(C)C(=O)[C]2[CH][C]([CH][C]([CH]2)N([O])[O])N([O])[O]
InChIKey=XRHBGKPDDORATD-IBGZPJMESA-N
InChI=1S/C21H24N4O8/c1-4-5-8-22-20(27)19(13-6-7-17(26)18(11-13)33-3)23(2)21(28)14-9-15(24(29)30)12-16(10-14)25(31)32/h6-7,9-12,19,26H,4-5,8H2,1-3H3,(H,22,27)/t19-/m0/s1
InChI=1/C21H24N4O8/c1-4-5-8-22-20(27)19(13-6-7-17(26)18(11-13)33-3)23(2)21(28)14-9-15(24(29)30)12-16(10-14)25(31)32/h6-7,9-12,19,26H,4-5,8H2,1-3H3,(H,22,27)/t19-/m0/s1/f/h22H
3341.8057748485
-1625.6735268
1-A
20949.9014
121
422
543
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9.21669
-4.9780 2.2270 2.9466
6.1986
|XX|YY|ZZ|XY|XZ|YZ|
-225.8872 -205.9056 -187.9290 12.3547 -8.9321 9.6618
|XX|YY|ZZ|XY|XZ|YZ|
-19.3133 0.6683 18.6450 12.3547 -8.9321 9.6618
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-244.3452 73.6823 18.3032 -141.9143 -36.5936 12.7206 16.4453 37.0616 64.5612 -13.3479
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-19288.3889 -8882.3390 -1057.0118 402.8270 38.5731 89.3864 334.9557 -20.7731 64.7925 -5093.4181 -2940.4290 -1620.3039 106.9597 -159.1034 -70.9667
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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|A|A|A|A|A|A|
7.9366 14.8864 16.7132 21.9130 34.2870 35.0826 47.3145 49.6414 57.5849 64.0943 69.5700 80.8220 85.7643 107.2253 123.8771 130.8516 154.1995 157.4609 172.6336 180.9547 188.7645 203.9979 214.8536 221.4068 227.7797 230.2639 263.3538 269.7811 278.2825 293.4412 312.0215 326.0446 353.6525 367.4749 387.9220 391.7393 401.0612 416.0701 430.4162 446.2068 459.0550 473.0809 498.4206 513.0684 520.0342 526.9454 561.8943 579.1437 600.2314 614.0727 632.6990 660.5410 700.2423 722.4200 730.9651 782.2945 794.9967 805.6612 820.1898 824.4991 844.1985 868.9419 873.6968 875.0186 875.8620 887.4161 925.6892 953.0056 960.7916 975.2130 992.0946 1003.0543 1033.2902 1047.0960 1076.0014 1079.3345 1085.1232 1091.0589 1094.9693 1095.2771 1110.4891 1111.6435 1140.9514 1169.2977 1172.0740 1208.3584 1218.1023 1222.3595 1246.5837 1253.2085 1256.2501 1257.5860 1290.9038 1293.8381 1302.2172 1306.9158 1327.1486 1341.8348 1348.0888 1356.5052 1365.9716 1370.4002 1407.3744 1410.4408 1421.5154 1440.6101 1446.2764 1455.3455 1470.1159 1512.0154 1514.9558 1528.9146 1566.0480 1571.6712 1579.0341 1586.9921 1605.3397 1614.7086 1636.1262 1636.7383 1638.2781 1642.4507 1644.3200 1645.3505 1648.8657 1651.4471 1654.1387 1655.1590 1659.4787 1666.8061 1669.8904 1700.2869 1717.7233 1784.0980 1797.0213 1806.6045 1818.5924 1863.0712 1886.3990 1909.3197 1942.1858 3179.1889 3194.9333 3200.1951 3209.8159 3214.8014 3215.8177 3234.2658 3247.5405 3262.8521 3267.0133 3280.9498 3295.1383 3297.9246 3334.5635 3335.5062 3366.3445 3387.5042 3388.5950 3403.8287 3447.2330 3451.0831 3468.7061 3878.1585 4085.8242
4.2237 7.8680 6.7947 4.2259 4.2942 4.1564 14.1221 12.3622 2.7894 4.9163 3.5656 5.6819 4.8685 4.6264 2.0921 6.4164 5.5283 3.9943 4.5695 1.3979 4.9896 3.1813 5.2575 2.7116 2.9474 3.0056 1.7165 1.8812 4.9146 2.2515 4.1784 3.4788 8.3957 5.7126 10.0218 5.2102 8.6491 3.9043 1.1676 2.3849 2.5659 2.6196 3.1863 2.9542 5.3234 5.3772 5.7804 8.8984 5.2683 5.4821 5.7312 4.6885 4.3771 6.6098 3.6827 5.2739 1.0968 5.1855 7.0275 5.9913 6.1399 1.3186 7.6349 5.4253 10.0071 4.2892 4.2104 2.3570 2.3206 2.2304 1.6512 4.5670 1.2329 8.3174 3.3152 2.1031 2.0081 1.5233 5.8194 1.4153 2.7760 1.3865 2.2923 3.9098 3.2513 1.7369 1.4780 2.9638 2.3922 1.4941 1.7472 1.6826 1.6570 1.2639 5.2425 2.7052 1.5861 2.1987 1.4899 3.1672 3.1073 1.4882 2.9903 1.2933 1.3337 1.1689 1.9287 1.0734 1.7201 1.6313 1.7449 1.8911 1.3207 1.6044 2.2762 2.2987 2.4529 2.0314 1.0716 1.5993 1.3058 1.0839 1.0417 9.1304 1.0502 3.3952 1.0891 1.6007 1.0599 1.0914 1.0871 3.2413 2.0604 6.1813 6.8375 5.6719 5.9777 13.5236 12.0216 12.3693 8.8671 1.0662 1.0589 1.0405 1.0824 1.0337 1.0899 1.0985 1.0429 1.1038 1.1023 1.1080 1.0864 1.0967 1.0964 1.1027 1.1046 1.0906 1.0910 1.0957 1.0933 1.0936 1.0940 1.0784 1.0658
0.0002 0.0010 0.0011 0.0012 0.0030 0.0030 0.0186 0.0179 0.0054 0.0119 0.0102 0.0219 0.0211 0.0313 0.0189 0.0647 0.0774 0.0583 0.0802 0.0270 0.1048 0.0780 0.1430 0.0783 0.0901 0.0939 0.0701 0.0807 0.2242 0.1142 0.2397 0.2179 0.6187 0.4545 0.8886 0.4711 0.8197 0.3982 0.1274 0.2798 0.3186 0.3454 0.4664 0.4582 0.8482 0.8797 1.0753 1.7585 1.1183 1.2180 1.3517 1.2053 1.2646 2.0324 1.1593 1.9016 0.4084 1.9831 2.7854 2.3997 2.5781 0.5866 3.4338 2.4474 4.5230 1.9901 2.1257 1.2613 1.2622 1.2498 0.9576 2.7072 0.7756 5.3729 2.2614 1.4436 1.3932 1.0684 4.1108 1.0003 2.0170 1.0095 1.7582 3.1496 2.6316 1.4942 1.2921 2.6091 2.1903 1.3826 1.6246 1.5678 1.6269 1.2466 5.2379 2.7224 1.6460 2.3325 1.5953 3.4338 3.4160 1.6467 3.4896 1.5159 1.5879 1.4292 2.3769 1.3395 2.1903 2.1973 2.3596 2.6046 1.9084 2.3350 3.3438 3.4110 3.7245 3.1206 1.6901 2.5243 2.0649 1.7227 1.6594 14.5632 1.6822 5.4556 1.7557 2.5836 1.7196 1.7864 1.7860 5.5209 3.5818 11.5921 13.0092 10.9069 11.6482 27.6567 25.2045 26.5675 19.7066 6.3490 6.3684 6.2785 6.5704 6.2944 6.6407 6.7702 6.4804 6.9235 6.9318 7.0273 6.9498 7.0277 7.1828 7.2285 7.3755 7.3736 7.3808 7.4796 7.6547 7.6742 7.7555 9.5563 10.4827
0.5189 0.6775 0.4473 0.4928 1.6587 4.3219 0.4073 0.7934 2.4514 0.8013 4.1307 3.3205 1.3911 0.4267 0.6249 11.1710 4.3086 1.7430 2.1547 1.2046 2.1644 3.5998 1.6852 1.0634 0.4088 0.2302 9.4006 7.0465 5.2128 2.5258 10.4783 2.5053 0.2433 9.8770 2.7561 16.1522 0.4740 6.8595 110.8083 57.9083 47.9070 25.9754 41.4282 8.6305 0.1874 16.2995 3.4770 6.8395 16.7638 3.9261 10.4647 0.3846 18.3797 22.3631 5.3039 5.1794 0.7030 22.9441 51.1970 102.3564 66.1680 5.0687 7.0886 1.1335 0.0518 34.7110 7.6135 41.3404 4.2363 0.1563 30.5927 7.0241 1.6801 15.3677 4.5016 9.4245 12.3294 0.7609 1.2246 1.3326 0.9800 1.5873 0.1300 48.5913 10.6183 95.8415 42.1532 24.0944 4.7737 82.4576 9.4376 106.9957 10.0873 3.1158 45.3595 77.0113 27.4112 182.5036 99.2335 46.6793 28.7695 30.5669 212.6658 0.4267 10.5022 9.0055 98.2834 2.4950 59.4434 65.5333 161.2817 191.7226 14.6092 17.2836 14.3680 203.7447 37.3359 1.6859 3.3354 69.7430 0.6719 1.3628 5.2454 356.7552 4.1353 213.7089 1.8718 19.7139 40.3578 53.4133 11.0527 353.5658 360.0527 6.3348 92.2436 18.2973 22.5713 169.9668 625.3312 480.5383 249.6974 20.8125 43.6268 28.6049 13.0478 39.7188 22.5582 37.2626 33.6661 84.8800 58.9508 46.1874 8.0526 30.1138 30.3376 32.6784 16.2563 11.1871 2.6251 3.2312 3.2707 12.9075 30.0701 31.0865 153.0790
0.4589 1.4117 1.8116 1.4006 2.8050 1.6486 1.0760 1.7439 0.5333 0.4718 1.5827 0.4969 0.7282 0.8028 0.0791 0.2056 0.7440 0.2533 0.9796 0.4433 1.6114 1.0741 1.8172 0.8200 1.6545 1.4391 0.4095 0.2333 2.1218 0.8759 1.3278 0.4705 1.6383 2.2658 2.6803 1.0349 2.5137 1.7906 1.7033 1.2068 0.3779 1.4583 1.0559 1.0648 0.0513 0.7413 1.7559 0.7183 4.1990 0.5441 1.2741 0.5222 2.1613 1.3100 2.9386 2.0154 0.0394 2.2772 0.6288 3.3463 2.2320 2.0399 3.4660 2.4709 4.1217 14.7191 3.6325 0.8773 3.0781 5.2974 0.4138 12.8631 0.7707 5.3483 1.3618 1.4188 2.8738 3.3792 33.3143 1.0288 3.4974 1.0258 13.1942 4.8176 1.2708 1.9502 0.5592 3.8103 10.3412 8.1144 0.8897 2.4904 1.6053 3.8785 4.4476 3.7285 2.8395 3.9202 5.7525 6.4071 23.4482 4.2828 1.5574 0.3367 1.2745 2.0690 13.7248 28.2839 4.4607 0.4576 13.8257 1.8231 1.3483 3.1838 3.9790 5.9350 3.4446 3.7767 33.6985 12.0686 3.8649 2.1449 19.6047 26.3097 21.7135 72.1037 6.5108 62.3971 8.9054 20.4475 6.7334 5.0297 2.7562 38.4226 30.9119 21.0596 50.6159 0.5327 0.6474 19.5065 6.0669 54.8048 16.2292 129.8165 173.1274 93.2793 54.3226 10.9627 78.7035 31.0829 106.6047 36.4476 31.0184 23.3589 82.6672 133.1432 40.8274 9.6394 91.2507 116.8692 35.1716 32.3901 40.1569 28.1123 66.4042
0.7497 0.7499 0.7483 0.7488 0.7496 0.7258 0.7491 0.7496 0.7498 0.7082 0.7495 0.7395 0.7197 0.5197 0.7475 0.7382 0.1762 0.7322 0.4655 0.5926 0.2706 0.5806 0.2440 0.5054 0.4808 0.7361 0.4106 0.5958 0.5079 0.6979 0.7375 0.6895 0.5091 0.2273 0.3333 0.1078 0.6374 0.7458 0.7423 0.3717 0.2647 0.7499 0.5436 0.6571 0.4883 0.6821 0.6930 0.4310 0.3807 0.7398 0.7045 0.6525 0.1744 0.4769 0.2396 0.2941 0.7497 0.5057 0.1666 0.2031 0.2325 0.0510 0.2094 0.7490 0.7487 0.1010 0.0744 0.7351 0.5890 0.6251 0.6745 0.0907 0.7200 0.7434 0.6735 0.6376 0.7230 0.7222 0.0967 0.5836 0.5776 0.7160 0.6262 0.5727 0.6096 0.6057 0.6669 0.1597 0.1781 0.2256 0.3309 0.4241 0.5801 0.7495 0.0862 0.2384 0.3601 0.3412 0.4774 0.1619 0.2844 0.2631 0.5456 0.1851 0.7054 0.4984 0.1963 0.7396 0.7278 0.2599 0.0971 0.7466 0.4721 0.3526 0.3930 0.5101 0.7499 0.3323 0.7349 0.2744 0.6908 0.4915 0.7500 0.7459 0.7487 0.1097 0.6635 0.2111 0.6322 0.6911 0.7275 0.2552 0.4705 0.7462 0.7322 0.4670 0.6099 0.4637 0.4541 0.1746 0.2957 0.2298 0.5375 0.0192 0.3011 0.0278 0.5081 0.5743 0.0465 0.7499 0.5933 0.7466 0.1315 0.4451 0.4687 0.4398 0.7479 0.4272 0.4623 0.1576 0.2389 0.2615 0.2667 0.1646 0.2582
0.8569 0.8571 0.8560 0.8564 0.8569 0.8411 0.8565 0.8569 0.8570 0.8292 0.8568 0.8502 0.8370 0.6839 0.8555 0.8494 0.2997 0.8454 0.6353 0.7442 0.4260 0.7347 0.3923 0.6714 0.6494 0.8480 0.5822 0.7467 0.6737 0.8221 0.8489 0.8162 0.6747 0.3704 0.4999 0.1946 0.7785 0.8544 0.8521 0.5420 0.4186 0.8570 0.7043 0.7931 0.6562 0.8110 0.8187 0.6024 0.5514 0.8505 0.8266 0.7897 0.2971 0.6458 0.3866 0.4545 0.8570 0.6717 0.2856 0.3377 0.3773 0.0970 0.3463 0.8565 0.8563 0.1835 0.1386 0.8473 0.7414 0.7693 0.8056 0.1664 0.8372 0.8528 0.8049 0.7787 0.8392 0.8387 0.1763 0.7370 0.7322 0.8345 0.7702 0.7283 0.7574 0.7545 0.8001 0.2754 0.3024 0.3682 0.4973 0.5957 0.7342 0.8568 0.1588 0.3850 0.5295 0.5088 0.6462 0.2788 0.4429 0.4166 0.7060 0.3124 0.8273 0.6652 0.3281 0.8503 0.8425 0.4126 0.1770 0.8549 0.6414 0.5213 0.5642 0.6756 0.8571 0.4989 0.8472 0.4307 0.8171 0.6591 0.8571 0.8544 0.8563 0.1977 0.7977 0.3486 0.7747 0.8174 0.8423 0.4067 0.6399 0.8547 0.8454 0.6366 0.7577 0.6336 0.6246 0.2973 0.4564 0.3738 0.6992 0.0377 0.4629 0.0540 0.6738 0.7296 0.0889 0.8571 0.7447 0.8549 0.2324 0.6160 0.6383 0.6109 0.8558 0.5987 0.6323 0.2722 0.3857 0.4146 0.4211 0.2827 0.4105
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
6 6 6 6 7 6 8 6 1 6 6 6 6 6 6 8 6 8 7 6 6 8 6 6 6 6 6 6 7 8 8 7 8 8 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 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 14.00307 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783
13885.4300 25624.3026 37066.6041
0.99889 0.04681 -0.00435 -0.04680 0.99890 0.00194 0.00444 -0.00174 0.99999
1
0.00624 0.00338 0.00234
0.12997 0.07043 0.04869
11.42 21.42 24.05 31.53 49.33 50.48 68.08 71.42 82.85 92.22 100.10 116.28 123.40 154.27 178.23 188.27 221.86 226.55 248.38 260.35 271.59 293.51 309.13 318.56 327.72 331.30 378.91 388.15 400.39 422.20 448.93 469.11 508.83 528.71 558.13 563.63 577.04 598.63 619.27 641.99 660.48 680.66 717.12 738.19 748.21 758.16 808.44 833.26 863.60 883.51 910.31 950.37 1007.49 1039.40 1051.70 1125.55 1143.82 1159.17 1180.07 1186.27 1214.61 1250.21 1257.05 1258.96 1260.17 1276.79 1331.86 1371.16 1382.36 1403.11 1427.40 1443.17 1486.67 1506.54 1548.13 1552.92 1561.25 1569.79 1575.42 1575.86 1597.75 1599.41 1641.57 1682.36 1686.35 1738.56 1752.58 1758.70 1793.56 1803.09 1807.46 1809.39 1857.32 1861.54 1873.60 1880.36 1909.47 1930.60 1939.60 1951.71 1965.33 1971.70 2024.90 2029.31 2045.24 2072.72 2080.87 2093.92 2115.17 2175.45 2179.68 2199.77 2253.19 2261.28 2271.88 2283.33 2309.73 2323.21 2354.02 2354.90 2357.12 2363.12 2365.81 2367.29 2372.35 2376.06 2379.94 2381.40 2387.62 2398.16 2402.60 2446.33 2471.42 2566.92 2585.51 2599.30 2616.55 2680.54 2714.11 2747.09 2794.37 4574.14 4596.80 4604.37 4618.21 4625.38 4626.84 4653.39 4672.49 4694.52 4700.50 4720.55 4740.97 4744.98 4797.69 4799.05 4843.42 4873.86 4875.43 4897.35 4959.80 4965.34 4990.69 5579.81 5878.59
0.483926
0.514895
0.515839
0.414956
-1625.189600
-1625.158632
-1625.157688
-1625.258571
3.383632D-04
MUNgauss
RevisionA2.0
retrievium
08-Jan-2021
DUDE CCCCNC(=O)[C@H](c1ccc(c(c1)OC)O)N(C)C(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-] C36528283
RHF
6-31G(d)
(6D,10F)
C1
460.159414
|X|Y|Z|
83.830419 114.319100 29.214469
65.419338
15
|36.858105|
|12.467472|36.858105|
|7.482259|12.455287|36.858105|
|4.878695|7.503835|12.495234|36.858105|
|3.813783|4.992295|7.778596|13.110426|53.358707|
|3.053437|3.839354|5.133127|7.786353|19.292268|36.858105|
|2.869687|3.640856|4.496340|6.834276|11.555139|15.831948|73.516695|
|2.580694|3.051506|3.930686|5.000261|10.664243|12.414338|14.151110|36.858105|
|2.634743|3.065264|4.007158|4.840130|10.325166|8.946238|10.607390|17.652643|0.500000|
|2.430946|2.789472|3.521739|4.152392|7.963511|7.489432|10.441478|12.507233|0.250003|36.858105|
|2.465737|2.834306|3.502281|4.096645|7.220453|6.512585|10.310003|7.454222|0.159309|13.811434|36.858105|
|2.238292|2.488028|2.969566|3.271471|5.366010|4.429787|7.307271|4.975815|0.118462|7.915040|13.682550|36.858105|
|2.042676|2.220650|2.630610|2.819614|4.617410|3.710886|5.996604|4.419694|0.111952|6.832250|7.937268|13.869371|36.858105|
|2.020987|2.196763|2.636706|2.835292|4.793950|3.866892|6.018162|5.036945|0.133591|7.899704|6.880391|7.946703|13.597361|36.858105|
|2.183092|2.422856|2.986210|3.318674|5.966607|5.015313|7.375273|7.610431|0.201968|13.605759|7.957564|6.891734|7.926484|13.853744|36.858105|
|1.822739|1.943690|2.286004|2.402211|3.931046|3.083364|4.886880|3.859881|0.107124|5.161487|4.623443|5.313920|8.229306|14.047575|7.832273|73.516695|
|1.745582|1.853352|2.173227|2.276681|3.722298|2.896027|4.561365|3.671686|0.106726|4.473028|3.784584|3.987127|5.259376|7.984939|6.660344|24.161788|36.858105|
|1.860973|1.985198|2.291150|2.399501|3.775499|2.957591|4.901399|3.368526|0.087557|4.608847|5.249981|8.088199|14.162313|7.993809|5.245035|12.836379|4.718032|73.516695|
|2.218174|2.592108|3.151591|3.942724|7.201415|7.729022|12.086766|13.007382|0.259120|7.686252|5.525400|4.106776|3.779905|4.306846|6.006137|6.209444|3.434213|5.337331|53.358707|
|2.011355|2.332856|2.741541|3.376875|5.704106|5.879962|10.909778|7.586952|0.157636|6.546891|5.546814|4.275810|3.844812|4.141784|5.239854|5.992889|3.206776|5.502679|17.721055|36.858105|
|2.173070|2.532733|3.031009|3.752501|6.524900|6.221382|9.969310|8.022463|0.215553|5.189711|4.036188|3.204356|3.026608|3.438517|4.515456|5.250776|3.020909|4.454306|19.137618|7.667756|36.858105|
|2.375308|2.785079|3.381104|4.182731|7.297578|6.303544|9.508677|7.223464|0.226923|4.653909|3.680206|2.952514|2.795053|3.162177|4.095225|4.893749|2.839570|4.157557|11.541911|5.354379|15.821468|73.516695|
|1.872986|2.142613|2.467126|2.947105|4.760427|4.257176|7.389535|5.041866|0.136105|3.892976|3.227895|2.707231|2.608912|2.929908|3.612950|4.655467|2.722117|3.961603|10.497731|6.409684|12.635033|14.532405|36.858105|
|1.686397|1.896964|2.165111|2.517901|4.032234|3.542155|6.157145|4.324637|0.116197|3.675630|3.076970|2.669992|2.641719|2.999588|3.602672|4.875781|2.893092|4.055458|8.576606|6.085284|7.509427|9.682589|13.758466|36.858105|
|1.518750|1.690482|1.891176|2.160908|3.349364|2.846764|5.036160|3.294537|0.089554|2.909757|2.533478|2.263159|2.253327|2.510958|2.888781|4.193681|2.499075|3.552219|5.914291|4.394532|5.023268|7.311859|7.971687|13.761644|36.858105|
|1.487067|1.655495|1.827464|2.084103|3.155700|2.634451|4.720588|2.913121|0.079830|2.538911|2.251263|2.011469|1.981059|2.171969|2.477410|3.631190|2.148974|3.150708|5.029102|3.664554|4.425288|6.862454|6.801226|7.869189|13.819008|36.858105|
|1.613493|1.815298|2.003906|2.316010|3.484252|2.905965|5.235483|3.123196|0.085980|2.619952|2.317800|2.034479|1.974107|2.153629|2.492425|3.550349|2.083928|3.115751|5.384975|3.757254|5.077351|8.151621|7.971789|6.933039|8.095321|13.790507|36.858105|
|1.821330|2.081452|2.341781|2.776216|4.275628|3.654433|6.522786|3.947178|0.108575|3.126597|2.702791|2.306964|2.212254|2.430369|2.898696|3.923814|2.289717|3.427915|7.127647|4.625635|7.686914|12.014430|13.714400|7.946865|6.930670|7.868168|13.793777|36.858105|
|1.546741|1.731153|1.874268|2.139908|3.123594|2.533889|4.605195|2.622742|0.072630|2.232988|2.017473|1.789740|1.731397|1.863655|2.120566|3.094011|1.807762|2.765613|4.276918|3.002036|3.868447|6.636799|5.118344|4.528157|5.163395|7.802833|13.054181|7.779839|53.358707|
|1.410501|1.562227|1.677733|1.888400|2.739032|2.202597|4.000842|2.288593|0.063358|1.999062|1.824108|1.642532|1.600280|1.716094|1.922740|2.881162|1.687123|2.583197|3.671272|2.632364|3.189565|5.445776|4.090206|3.909401|4.709345|7.135214|8.395731|5.430512|21.746529|73.516695|
|1.641558|1.848648|1.987611|2.278589|3.271668|2.620156|4.782630|2.632888|0.073189|2.212338|2.008901|1.770632|1.698282|1.817243|2.073371|2.998842|1.741365|2.708456|4.192001|2.887254|3.816742|6.849776|4.680241|3.912294|4.122215|5.438448|8.395766|7.100649|21.765094|15.996691|73.516695|
|1.386752|1.525562|1.695926|1.904858|2.931440|2.455443|4.334553|2.844520|0.077335|2.643591|2.340683|2.152733|2.184591|2.430112|2.704580|4.162546|2.499785|3.505975|4.859029|3.742874|3.823403|5.753014|5.123776|7.782888|13.064185|7.802487|5.160982|4.528521|5.310240|6.810423|5.719867|53.358707|
|1.393966|1.528879|1.710581|1.913189|2.976068|2.500940|4.371606|2.969680|0.080387|2.849619|2.510035|2.337472|2.413634|2.718561|2.994400|4.706572|2.847109|3.874029|5.030933|3.944185|3.759506|5.605183|4.689707|7.111625|8.395479|5.437881|4.122020|3.914522|4.379450|5.539827|4.916647|21.726313|73.516695|
|1.288250|1.409014|1.548581|1.724159|2.609217|2.151845|3.824745|2.428060|0.066312|2.270582|2.047433|1.903124|1.928169|2.115092|2.314246|3.657572|2.188885|3.139169|4.011710|3.079941|3.163484|4.931231|4.090473|5.429585|8.395360|7.119279|4.699406|3.905786|5.207180|7.084492|5.534535|21.769440|15.999612|73.516695|
|17.555138|8.781211|5.460299|4.051213|4.384796|2.680906|4.584813|2.287365|0.064370|2.161786|2.204843|2.022007|1.850736|1.823377|1.953571|2.946200|1.589818|3.028305|2.733729|1.845956|1.977949|3.814253|1.732109|1.566224|1.423518|1.402245|1.520160|1.700043|2.001117|2.394933|2.779678|1.774779|2.322775|2.165575|0.500000|
|17.537762|8.774223|6.776857|4.506621|5.026781|2.945028|4.832564|2.545100|0.073716|2.376877|2.358678|2.142882|1.986978|1.996573|2.166830|3.229170|1.760408|3.217920|2.985386|1.963984|2.177261|4.287511|1.878393|1.689626|1.523750|1.494619|1.623750|1.832083|2.122319|2.527564|2.945497|1.892268|2.481099|2.297496|0.301751|0.500000|
|17.539427|8.774798|6.780648|4.507062|5.027346|2.983363|4.955746|2.560475|0.072306|2.479311|2.552816|2.354228|2.147590|2.101187|2.238717|3.369401|1.797690|3.499777|2.966639|1.990729|2.101599|4.031932|1.811157|1.647668|1.481777|1.439964|1.548427|1.742184|2.007794|2.400818|2.759531|1.854619|2.450832|2.247382|0.301719|0.301597|0.500000|
|8.861722|17.518838|8.856453|6.901430|6.320120|3.680822|6.316827|2.930536|0.082148|2.612228|2.609720|2.281547|2.052969|2.052515|2.279839|3.249284|1.761899|3.266741|3.476619|2.291558|2.556676|5.062992|2.181758|1.911958|1.713273|1.696584|1.880530|2.157670|2.467363|2.897248|3.482537|2.090138|2.713244|2.530032|0.212904|0.210750|0.172968|0.500000|
|8.861729|17.518321|8.862102|6.901498|6.320218|3.755456|6.596742|2.953597|0.080217|2.748682|2.877735|2.539418|2.229911|2.165576|2.363142|3.390868|1.798862|3.560038|3.447056|2.333864|2.437181|4.658532|2.078927|1.852122|1.654598|1.618366|1.766911|2.015696|2.293406|2.711887|3.187957|2.040011|2.673972|2.463958|0.212916|0.172960|0.210736|0.303909|0.500000|
|6.857118|8.835006|17.521021|8.891915|9.699778|4.919134|7.579622|3.923378|0.110071|3.730063|3.821788|3.294930|2.895468|2.852127|3.172577|4.364386|2.294546|4.482131|4.191481|2.716429|2.875070|5.555943|2.349293|2.100057|1.832280|1.751661|1.893883|2.195174|2.394472|2.819644|3.277077|2.261509|3.008453|2.692867|0.140236|0.168696|0.203370|0.173511|0.211519|0.500000|
|6.884499|8.864358|17.485532|8.863497|9.661127|4.741746|7.147676|3.860709|0.114957|3.401519|3.245853|2.778124|2.532677|2.603609|2.973770|4.068996|2.216631|3.930159|4.237090|2.646029|3.072145|6.273209|2.497645|2.185894|1.911001|1.850454|2.034065|2.379786|2.592704|3.027826|3.597342|2.328168|3.061635|2.777444|0.140637|0.204256|0.169287|0.212008|0.173807|0.302988|0.500000|
|4.536579|6.871651|8.825001|17.533941|12.389485|6.688909|11.248774|4.520995|0.123532|3.630323|3.498061|2.842531|2.499555|2.544935|2.978506|3.899651|2.113485|3.826315|5.197799|3.260822|3.836109|7.835956|3.054762|2.555676|2.210971|2.169643|2.458340|2.968143|3.132972|3.577961|4.439292|2.621459|3.394403|3.113689|0.108723|0.119567|0.111288|0.207603|0.171689|0.173641|0.210729|0.500000|
|4.518455|6.813765|8.832323|17.622928|12.592026|7.261308|13.211452|4.649624|0.118245|4.061403|4.274837|3.417900|2.857940|2.787983|3.194603|4.173986|2.189219|4.344790|5.133475|3.404173|3.481993|6.576347|2.800249|2.426501|2.094940|2.017290|2.223861|2.634202|2.801314|3.248751|3.875460|2.531587|3.328850|3.000060|0.108185|0.110956|0.119375|0.169812|0.205327|0.212660|0.173517|0.303426|0.500000|
|3.778908|4.673230|7.347460|9.045408|26.068273|9.463396|10.918973|7.520630|0.241463|5.731948|4.871036|3.767177|3.386951|3.641823|4.597763|5.380140|2.920474|4.934217|6.860684|3.869403|4.719767|9.796325|3.444038|2.942686|2.445289|2.295690|2.521519|3.080627|3.072614|3.529686|4.186585|2.925152|3.892388|3.398368|0.087680|0.105617|0.102194|0.120883|0.115845|0.191929|0.216967|0.199943|0.181386|0.500000|
|2.623517|3.096332|3.800755|4.649831|7.883247|7.362042|12.889209|6.847161|0.144078|8.924790|17.744959|8.940491|5.664514|4.958197|5.644675|6.521953|3.126949|7.553596|7.155809|5.425160|3.947797|6.466465|3.165415|2.946591|2.451240|2.217051|2.314776|2.709472|2.770640|3.259667|3.639882|3.049167|4.197968|3.513491|0.065321|0.068540|0.075047|0.078974|0.089330|0.114248|0.094455|0.108598|0.142981|0.137061|0.500000|
|2.195255|2.425165|2.820694|3.067294|4.787132|3.862576|6.653359|4.049790|0.097857|5.630765|8.854064|17.737876|9.025164|5.660937|4.963458|7.653127|3.339028|13.165953|4.719001|3.690458|2.796346|4.623187|2.415228|2.380359|2.057526|1.851602|1.873796|2.101102|2.271359|2.737936|2.944193|2.679242|3.770771|3.130805|0.055582|0.057734|0.064618|0.061503|0.069955|0.087404|0.072266|0.074247|0.091267|0.092015|0.214683|0.500000|
|2.108699|2.325723|2.853627|3.147622|5.629071|4.630846|6.773058|7.150794|0.218404|8.903024|5.664207|4.963502|5.636509|8.951800|17.739936|12.473336|7.391214|7.514673|8.324252|4.961649|4.907777|7.994319|3.933690|3.959414|3.133488|2.658574|2.664243|3.108721|3.053651|3.608062|3.877350|3.973352|5.763613|4.398627|0.052508|0.058926|0.059484|0.061564|0.062191|0.082508|0.080924|0.080333|0.082285|0.124820|0.124221|0.107732|0.500000|
|1.614623|1.695815|1.958259|2.027692|3.238129|2.490600|3.988767|3.039696|0.087869|3.592801|3.181939|3.418190|4.423665|5.863948|4.871166|16.975407|17.652639|7.661106|3.930380|2.748055|2.598504|4.377999|2.397698|2.562369|2.273236|1.974594|1.902632|2.057084|2.271780|2.795676|2.854350|3.148724|4.675714|3.657714|0.041113|0.045287|0.046277|0.044859|0.045810|0.057392|0.055496|0.052601|0.054400|0.070190|0.074989|0.082462|0.144912|0.500000|
|1.860589|1.967595|2.333174|2.415773|3.987347|3.027501|4.664837|3.844207|0.116991|4.532179|3.726642|3.785741|4.753013|7.017510|6.664821|16.454090|17.569129|7.409468|4.737010|3.112745|3.122021|5.363719|2.755134|2.855375|2.454398|2.136738|2.101779|2.332109|2.491968|3.021070|3.159173|3.276355|4.774025|3.760001|0.046751|0.052579|0.053196|0.051888|0.052472|0.068453|0.067090|0.062165|0.063510|0.089163|0.086288|0.088158|0.222623|0.299908|0.500000|
|1.691163|1.812563|2.119003|2.260492|3.710557|2.959973|4.700378|3.846099|0.110865|4.541756|3.739136|3.800646|4.774392|7.044462|6.668967|16.455613|17.569484|7.439238|5.156115|3.562249|3.332595|5.428637|3.060292|3.357134|2.869174|2.408331|2.300948|2.522074|2.674631|3.258840|3.328778|3.949544|6.027145|4.436063|0.042936|0.047337|0.047953|0.048290|0.048936|0.061297|0.059967|0.058942|0.060428|0.080156|0.086585|0.088487|0.221249|0.299879|0.298659|0.500000|
|1.764910|1.867884|2.149284|2.234481|3.515384|2.734033|4.500811|3.160277|0.084081|4.197091|4.445763|6.068514|10.104577|7.977159|5.073665|15.945442|5.512693|35.672022|3.893173|2.911250|2.425421|4.036464|2.180002|2.256338|1.988052|1.757203|1.725727|1.886659|2.083879|2.551920|2.654974|2.697731|3.921788|3.158289|0.044950|0.048090|0.051693|0.048298|0.051918|0.065193|0.058356|0.056207|0.062451|0.072841|0.101264|0.151380|0.118609|0.144567|0.129786|0.130301|0.500000|
|1.876365|2.136473|2.496370|2.966329|4.959154|4.778193|8.483294|6.389397|0.141424|6.576854|5.584088|4.594328|4.317860|4.743980|5.833479|6.857721|3.632707|6.143689|12.281914|17.597526|5.976469|7.907584|5.399774|5.817757|4.312287|3.469608|3.395129|3.970175|3.718286|4.357612|4.601719|5.317177|7.736703|5.642443|0.047924|0.051032|0.052077|0.057842|0.059361|0.069874|0.067328|0.078618|0.082992|0.096153|0.141251|0.108211|0.151239|0.085740|0.094739|0.115098|0.090936|0.500000|
|1.883099|2.177493|2.501731|3.060511|4.942414|4.840092|9.381065|5.634027|0.128099|4.796459|4.254845|3.471896|3.181004|3.393127|4.097796|5.134959|2.807511|4.736185|12.373895|17.672523|7.359517|9.083110|7.475405|7.147784|5.191909|4.326769|4.430079|5.420313|4.682961|5.317791|5.780491|5.764408|7.629539|6.153748|0.048471|0.051174|0.051376|0.060257|0.060580|0.067915|0.067363|0.084530|0.085772|0.093499|0.119018|0.086240|0.111787|0.068312|0.075792|0.086923|0.070356|0.300519|0.500000|
|2.121146|2.491389|2.922375|3.676286|6.111592|6.536463|13.537388|7.256885|0.145031|6.653269|6.428556|4.734636|3.973793|4.026381|4.906174|5.721180|2.965060|5.670480|12.444972|17.682220|6.001188|8.307209|4.956506|4.581525|3.581299|3.130174|3.259875|3.936980|3.696346|4.263994|4.738819|4.259731|5.806517|4.737857|0.054084|0.056779|0.058510|0.067453|0.070382|0.080936|0.076439|0.096933|0.106860|0.110252|0.191330|0.115885|0.122239|0.071285|0.080128|0.088673|0.081375|0.300139|0.304335|0.500000|
|1.685044|1.886497|2.170768|2.506426|4.080354|3.607345|6.163258|4.645350|0.123379|4.149139|3.401836|2.975342|2.999622|3.486654|4.219545|5.658452|3.375209|4.557114|9.200430|6.793669|6.863173|8.876239|8.879557|17.795170|8.963887|5.640123|4.989725|5.641209|4.913494|5.724075|5.717020|9.836754|14.330226|8.872263|0.043314|0.046811|0.046128|0.052217|0.051279|0.059319|0.060707|0.069252|0.067383|0.083180|0.088003|0.072554|0.130314|0.081774|0.090701|0.112417|0.070787|0.202141|0.201545|0.136428|0.500000|
|1.376968|1.520756|1.661089|1.871360|2.794459|2.297707|4.130516|2.506225|0.068842|2.232904|2.010572|1.823289|1.803662|1.961726|2.196326|3.318670|1.964422|2.905267|4.176833|3.086348|3.545041|5.666432|4.922196|5.616232|8.896275|17.816042|8.888178|5.617471|9.742418|14.179958|8.813998|9.730525|8.803034|14.117753|0.036260|0.038456|0.037073|0.043317|0.041381|0.044335|0.046704|0.054062|0.050528|0.056535|0.055075|0.047023|0.065067|0.050762|0.054082|0.060773|0.045146|0.082607|0.099238|0.075088|0.124221|0.500000|
|1.954606|2.257496|2.530401|3.033989|4.583970|3.842345|6.889182|3.924543|0.109020|3.044396|2.658165|2.252208|2.135992|2.323726|2.770108|3.732530|2.161490|3.311258|6.670160|4.204077|7.162139|13.003419|8.906140|5.653261|4.988257|5.626374|8.926448|17.792361|9.757875|8.823586|14.163122|4.913792|5.723752|5.715676|0.050684|0.054713|0.051386|0.065935|0.060371|0.064737|0.071674|0.092730|0.079057|0.091188|0.075169|0.057297|0.081718|0.054030|0.061792|0.065026|0.050398|0.098814|0.131472|0.104065|0.123958|0.123937|0.500000|
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