Version2.1
2021-01-18T18:15:44Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
10-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOc1cc(ccc1O)[C@H]2C(=C(N=C3N2NN=[NH+]3)C(=O)OC)C(=O)c4ccc(cc4)C C13123458
RHF
6-31G(d)
(6D,7F)
CCOc1cc(ccc1O)[C@H]2C(=C(N=C3N2NN=[NH+]3)C(=O)OC)C(=O)c4ccc(cc4)C
C01[X(C22H22N5O5)]
156
C1
524
CCOc1cc(ccc1O)[C@H]1C(=C(N=C2N1NN=[NH+]2)C(=O)OC)C(=O)c1ccc(cc1)C
CCOc1cc(ccc1O)[C@H]1C(=C(N=C2N1NN=[NH+]2)C(=O)OC)C(=O)c1ccc(cc1)C
CCOc1cc(ccc1O)[C@@H]2N3NN=[NH+]C3=NC(=C2C(=O)c4ccc(C)cc4)C(=O)OC
InChIKey=REJUKMVQJLIIDK-IBGZPJMESA-O
InChI=1S/C22H21N5O5/c1-4-32-16-11-14(9-10-15(16)28)19-17(20(29)13-7-5-12(2)6-8-13)18(21(30)31-3)23-22-24-25-26-27(19)22/h5-11,19,28H,4H2,1-3H3,(H,23,24,26)/p+1/t19-/m0/s1
InChI=1/C22H21N5O5/c1-4-32-16-11-14(9-10-15(16)28)19-17(20(29)13-7-5-12(2)6-8-13)18(21(30)31-3)23-22-24-25-26-27(19)22/h5-11,19,28H,4H2,1-3H3,(H,23,24,26)/p+1/t19-/m0/s1/fC22H22N5O5/h24,26H/q+1
CCOc1cc(ccc1O)[C@H]2C(=C(N=C3N2NN=[NH+]3)C(=O)OC)C(=O)c4ccc(cc4)C
C01[X(C22H22N5O5)]
156
C01
524
CCOc1cc(ccc1O)[C@H]1C(=C(N=C2N1NN=[NH+]2)C(=O)OC)C(=O)c1ccc(cc1)C
CCO[C]1[CH][C]([CH][CH][C]1O)[C@@H]1N2[NH][N][NH]C2=NC(=C1C(=O)[C]1[CH][CH][C]([CH][CH]1)C)C(=O)OC
CCO[C]1[CH][C]([CH][CH][C]1O)[C@@H]2N3N[N]NC3=NC(=C2C(=O)[C]4[CH][CH][C](C)[CH][CH]4)C(=O)OC
InChIKey=ZNLSZQYUGAMWHT-IBGZPJMESA-N
InChI=1S/C22H22N5O5/c1-4-32-16-11-14(9-10-15(16)28)19-17(20(29)13-7-5-12(2)6-8-13)18(21(30)31-3)23-22-24-25-26-27(19)22/h5-11,19,28H,4H2,1-3H3,(H2,23,24,26)/t19-/m0/s1
InChI=1/C22H22N5O5/c1-4-32-16-11-14(9-10-15(16)28)19-17(20(29)13-7-5-12(2)6-8-13)18(21(30)31-3)23-22-24-25-26-27(19)22/h5-11,19,28H,4H2,1-3H3,(H2,23,24,26)/t19-/m0/s1/f/h24,26H
3250.9130223591
-1492.1254321
1-A
14556.1723
114
410
524
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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8.62050
3.6183 -5.9726 10.9776
13.0104
|XX|YY|ZZ|XY|XZ|YZ|
-142.3989 -115.8908 -159.3030 13.3188 8.9627 -15.9146
|XX|YY|ZZ|XY|XZ|YZ|
-3.2014 23.3068 -20.1054 13.3188 8.9627 -15.9146
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
60.3503 -60.2209 57.9929 -56.5950 10.5164 -1.2292 -4.7632 -73.7691 82.9266 -38.2227
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-8369.5029 -5579.8722 -2006.3800 781.9902 263.1751 -27.1075 -345.9658 93.2461 -126.1696 -2473.7058 -1833.1290 -1217.2265 153.3233 -4.3628 77.5799
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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|
10.6172 14.9521 22.3173 32.4439 37.9872 41.4678 48.7701 58.0144 61.5375 80.5924 95.2862 103.4207 107.4243 122.9846 129.1481 149.8472 160.9092 168.1223 181.9741 220.0004 225.2166 247.9140 263.3243 277.6539 296.9082 303.0006 315.5645 332.4570 341.4959 352.1035 376.6614 377.0714 398.0365 425.7981 453.8712 455.6252 472.8170 512.8036 515.6266 545.0494 556.9154 599.0334 603.2908 625.9893 640.2420 647.6158 663.8368 680.4555 697.1285 713.4275 726.6864 751.0559 767.1462 778.0918 794.7760 800.4528 853.7957 855.4155 866.3339 874.5048 895.1912 898.4901 902.1410 930.6863 934.2921 945.3445 959.6689 974.1015 982.6068 999.0688 1040.2286 1068.8991 1076.9247 1083.2083 1085.8832 1098.1734 1115.2348 1122.8568 1152.7862 1154.3344 1173.0408 1193.5188 1205.6050 1209.7794 1230.4722 1251.3486 1258.6051 1286.3334 1296.0375 1298.1283 1298.5529 1305.0676 1320.2677 1327.3160 1333.2834 1338.0101 1354.3877 1367.9240 1394.4877 1417.8758 1423.2287 1430.7755 1438.5816 1460.8602 1476.6457 1498.4174 1510.0721 1510.7636 1549.7191 1564.0751 1569.5588 1586.3293 1590.8418 1606.9150 1613.0047 1628.2653 1629.9819 1634.7549 1635.8638 1640.1902 1643.2833 1643.4218 1676.5074 1686.9587 1702.3559 1763.5796 1786.0458 1806.3432 1807.4117 1811.9094 1842.8204 1961.2305 1984.2085 2011.8400 3210.2144 3212.0972 3224.0030 3256.5374 3264.2583 3270.2387 3275.2439 3293.1039 3295.0643 3304.0545 3353.3679 3362.8404 3368.8284 3374.2187 3376.6003 3378.0080 3381.8178 3407.9274 3408.6728 3807.0139 3840.1071 4069.8163
5.7353 4.4418 5.5533 1.0643 4.5450 4.7049 4.3386 4.5982 6.2052 4.9749 2.2489 2.9045 4.4575 4.7271 4.3288 3.5023 3.0929 2.3780 3.0914 5.7370 4.7817 5.0878 4.3219 1.3985 4.3216 5.1196 8.9626 6.0154 5.3110 5.3803 3.8282 3.3364 5.8215 6.1880 6.2929 3.1325 1.1394 4.0548 3.0039 4.6188 4.9352 7.0389 4.8504 3.7054 5.2827 5.2090 1.3738 4.3458 6.9837 5.7778 6.9593 2.8973 5.5695 4.1063 3.3104 3.0394 4.2017 5.7218 3.6128 6.2441 4.0804 4.6562 1.3375 7.0249 1.6409 1.4922 1.3187 2.5761 1.6630 3.8981 3.8815 3.7212 1.5600 3.1747 1.4274 1.5173 2.7668 1.3745 3.8685 5.2775 1.5756 5.7349 3.1697 2.1439 1.7888 2.0075 2.9485 3.1047 1.2682 2.2810 1.5620 1.2762 2.8002 1.9848 3.3304 1.7959 2.5262 3.6265 3.5605 2.9284 3.2514 1.1546 1.8904 1.3375 1.7829 1.5045 2.9279 2.0162 1.2540 1.7704 1.5384 1.3567 1.8841 3.5012 2.9343 1.0398 1.0538 1.2881 1.0982 1.0464 1.0597 1.0565 1.1309 2.4218 3.2947 5.5374 5.3065 5.7953 4.0894 5.3331 10.9452 10.2363 12.8136 12.0225 1.0572 1.0377 1.0375 1.1080 1.0289 1.1018 1.0873 1.1034 1.1034 1.1058 1.1100 1.0887 1.0915 1.1099 1.0912 1.0915 1.0955 1.0954 1.0944 1.0844 1.0899 1.0659
0.0004 0.0006 0.0016 0.0007 0.0039 0.0048 0.0061 0.0091 0.0138 0.0190 0.0120 0.0183 0.0303 0.0421 0.0425 0.0463 0.0472 0.0396 0.0603 0.1636 0.1429 0.1842 0.1766 0.0635 0.2245 0.2769 0.5258 0.3917 0.3649 0.3930 0.3200 0.2795 0.5434 0.6610 0.7638 0.3831 0.1501 0.6282 0.4706 0.8085 0.9019 1.4882 1.0401 0.8555 1.2758 1.2872 0.3567 1.1855 1.9997 1.7327 2.1653 0.9629 1.9312 1.4647 1.2320 1.1474 1.8046 2.4668 1.5976 2.8135 1.9265 2.2147 0.6414 3.5851 0.8439 0.7857 0.7156 1.4402 0.9460 2.2924 2.4746 2.5050 1.0660 2.1947 0.9916 1.0781 2.0275 1.0210 3.0290 4.1432 1.2774 4.8132 2.7144 1.8487 1.5957 1.8521 2.7519 3.0268 1.2551 2.2647 1.5518 1.2806 2.8758 2.0602 3.4881 1.8943 2.7303 3.9982 4.0793 3.4687 3.8803 1.3926 2.3050 1.6817 2.2904 1.9902 3.9336 2.7112 1.7744 2.5517 2.2329 2.0114 2.8093 5.3267 4.4980 1.6243 1.6496 2.0281 1.7315 1.6586 1.6860 1.6813 1.8728 4.0607 5.6255 10.1472 9.9733 11.1411 7.8709 10.3158 21.8998 23.1981 29.7232 28.6704 6.4191 6.3083 6.3538 6.9233 6.4595 6.9425 6.8718 7.0499 7.0585 7.1128 7.3540 7.2540 7.2983 7.4451 7.3301 7.3384 7.3816 7.4957 7.4918 9.2604 9.4692 10.4019
0.4007 1.0203 2.1006 0.1612 1.5762 3.4888 2.7555 0.8752 0.3789 3.7588 0.3741 1.1994 2.4854 2.0084 1.6551 2.6858 1.7534 2.5720 0.7557 1.3692 0.7332 4.0916 4.5583 1.3389 1.9455 1.0768 11.8290 6.0049 13.4370 13.6424 6.1358 3.0211 8.2794 0.3650 5.4969 0.9645 119.2838 4.5015 12.8712 6.0352 36.1945 0.8708 0.6699 54.1995 34.9076 16.2020 6.5969 6.3223 2.1106 26.7140 4.2898 168.2473 19.9851 10.3385 24.9865 25.1941 34.1307 39.0688 11.9012 8.5823 30.5948 13.8022 5.2117 33.6046 31.0395 4.1619 6.6015 9.6018 10.5103 67.4714 43.4277 5.5393 13.8423 12.3689 0.9868 7.1613 1.9518 0.6377 151.0095 52.1466 11.8686 65.0894 4.5648 5.1501 8.0474 52.0886 20.6435 135.4324 4.2839 192.0913 32.3851 46.4641 18.5647 79.0671 25.7000 205.7447 43.2471 162.7443 130.9332 84.7247 109.6008 32.7308 291.1650 9.6469 45.8501 57.3985 715.9477 10.9947 4.2982 12.1817 6.9958 44.1183 42.0358 234.6062 1.4750 6.2237 7.3526 59.9185 12.7096 7.2595 3.4766 5.7144 26.2465 0.6489 295.7623 13.4117 64.0979 25.3797 5.3767 103.8865 54.0040 601.8039 306.8033 282.6406 30.9779 24.1281 16.7625 25.9315 33.4298 17.5067 10.4451 19.0477 23.5935 36.1155 16.5060 17.6493 12.0363 17.5602 5.7843 5.6650 16.7626 0.6732 1.8917 399.6843 257.9757 196.3916
2.0126 1.3500 2.1771 0.6734 1.7406 4.4106 4.0834 3.7611 1.3243 1.0868 0.3214 0.4498 0.9042 1.1367 0.6982 0.5666 0.5816 0.4899 0.2306 1.2138 0.8126 1.9861 2.8567 0.2609 4.3511 0.7825 0.9670 2.7151 2.4787 0.9896 0.6838 0.8502 2.7172 1.2784 3.0169 0.8127 1.1075 0.9627 1.3358 1.9059 1.6658 1.8743 1.9293 3.7907 2.2891 1.2618 0.3237 3.8276 6.5569 5.5438 2.8479 2.1507 3.5457 2.6128 2.2683 1.2330 14.3979 4.3624 9.2499 2.3223 19.5594 6.7371 6.8448 8.6107 1.3835 1.3590 2.2020 6.2011 5.3741 10.2571 2.7844 12.2574 1.2617 4.7222 2.3494 4.4542 0.7835 0.8442 8.4704 6.0320 0.0879 14.2250 5.3580 2.4141 7.6697 0.9578 4.2841 30.9607 4.1521 11.4407 2.7329 15.4524 5.9178 8.7939 11.6129 8.5183 4.2355 32.7630 18.7744 2.4425 15.6929 10.8479 10.8274 5.3168 3.6745 12.0008 22.2732 10.8593 2.9625 3.0600 19.4165 4.8659 2.3961 5.1972 3.1058 20.4724 19.7747 4.2203 18.1654 20.3116 17.4161 11.8446 5.4036 9.0194 9.9237 4.3825 92.5459 20.7397 43.0139 211.3205 101.1543 52.2859 59.3660 15.5923 33.3121 203.1746 138.7487 55.0815 109.0155 107.6142 49.9300 65.0968 79.6754 40.4381 42.1663 47.0271 90.3997 87.9616 37.6728 32.0076 99.7584 119.4398 67.5317 15.1419 98.3826 77.6380
0.7474 0.7431 0.7280 0.7386 0.7358 0.7497 0.7461 0.7446 0.7378 0.7140 0.7171 0.7225 0.3231 0.6548 0.7322 0.7498 0.5497 0.6978 0.4937 0.6847 0.6534 0.1817 0.2074 0.6698 0.7301 0.7465 0.7500 0.3996 0.2124 0.6610 0.6656 0.2746 0.5233 0.5148 0.3636 0.3442 0.6941 0.7469 0.5431 0.1693 0.0689 0.2255 0.6452 0.6296 0.1918 0.7494 0.4758 0.2017 0.7287 0.6638 0.1452 0.4383 0.6556 0.3192 0.6518 0.7491 0.1702 0.2403 0.1029 0.7471 0.0565 0.2408 0.0767 0.3704 0.2105 0.5682 0.4864 0.7489 0.3756 0.4157 0.5283 0.1983 0.6923 0.2824 0.6046 0.5815 0.7471 0.6768 0.5865 0.7060 0.3884 0.6134 0.5591 0.6285 0.1293 0.4946 0.7342 0.0990 0.7456 0.6152 0.5971 0.1452 0.2389 0.5354 0.2549 0.3557 0.6484 0.2035 0.5081 0.6757 0.4455 0.7043 0.2357 0.3774 0.5988 0.5832 0.4691 0.0552 0.2251 0.6980 0.3796 0.6862 0.6856 0.3439 0.2142 0.7486 0.7499 0.6716 0.6485 0.7476 0.7100 0.7499 0.5905 0.3033 0.1911 0.6326 0.5182 0.6699 0.1510 0.4445 0.1828 0.1878 0.4378 0.0689 0.2614 0.0560 0.0052 0.7061 0.0080 0.7489 0.1795 0.7471 0.7326 0.7497 0.7486 0.7303 0.4029 0.6387 0.2127 0.5610 0.1433 0.2388 0.2096 0.4409 0.2204 0.2672
0.8554 0.8526 0.8426 0.8497 0.8478 0.8570 0.8546 0.8536 0.8491 0.8331 0.8352 0.8389 0.4883 0.7914 0.8454 0.8570 0.7094 0.8220 0.6611 0.8128 0.7903 0.3075 0.3435 0.8023 0.8440 0.8549 0.8571 0.5710 0.3504 0.7959 0.7992 0.4309 0.6871 0.6797 0.5333 0.5121 0.8194 0.8551 0.7039 0.2895 0.1289 0.3679 0.7844 0.7727 0.3219 0.8567 0.6448 0.3357 0.8431 0.7979 0.2535 0.6095 0.7920 0.4840 0.7892 0.8566 0.2909 0.3875 0.1867 0.8552 0.1069 0.3882 0.1426 0.5405 0.3478 0.7247 0.6545 0.8564 0.5461 0.5873 0.6914 0.3310 0.8182 0.4404 0.7536 0.7354 0.8552 0.8072 0.7394 0.8277 0.5595 0.7603 0.7172 0.7719 0.2290 0.6618 0.8467 0.1802 0.8542 0.7618 0.7477 0.2536 0.3856 0.6974 0.4063 0.5247 0.7867 0.3382 0.6738 0.8065 0.6164 0.8265 0.3815 0.5480 0.7491 0.7367 0.6386 0.1047 0.3674 0.8221 0.5503 0.8139 0.8135 0.5118 0.3528 0.8562 0.8571 0.8035 0.7868 0.8555 0.8304 0.8571 0.7425 0.4654 0.3209 0.7750 0.6826 0.8023 0.2623 0.6154 0.3092 0.3162 0.6090 0.1289 0.4144 0.1060 0.0103 0.8277 0.0159 0.8565 0.3044 0.8552 0.8457 0.8570 0.8562 0.8441 0.5744 0.7795 0.3508 0.7187 0.2507 0.3855 0.3465 0.6120 0.3612 0.4218
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 6 6 6 6 6 8 6 1 6 6 7 6 7 7 7 7 1 6 8 8 6 6 8 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
12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 14.00307 14.00307 1.00783 12.00000 15.99491 15.99491 12.00000 12.00000 15.99491 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
12366.4315 16646.3111 23258.2783
0.99973 0.02258 0.00566 -0.02270 0.99950 0.02208 -0.00516 -0.02221 0.99974
1
0.00700 0.00520 0.00372
0.14594 0.10842 0.07760
15.28 21.51 32.11 46.68 54.66 59.66 70.17 83.47 88.54 115.95 137.10 148.80 154.56 176.95 185.82 215.60 231.51 241.89 261.82 316.53 324.04 356.69 378.87 399.48 427.18 435.95 454.03 478.33 491.34 506.60 541.93 542.52 572.69 612.63 653.02 655.54 680.28 737.81 741.87 784.20 801.28 861.88 868.00 900.66 921.17 931.77 955.11 979.02 1003.01 1026.46 1045.54 1080.60 1103.75 1119.50 1143.51 1151.67 1228.42 1230.75 1246.46 1258.22 1287.98 1292.73 1297.98 1339.05 1344.24 1360.14 1380.75 1401.51 1413.75 1437.44 1496.66 1537.91 1549.45 1558.50 1562.34 1580.03 1604.57 1615.54 1658.60 1660.83 1687.74 1717.21 1734.60 1740.60 1770.37 1800.41 1810.85 1850.75 1864.71 1867.72 1868.33 1877.70 1899.57 1909.71 1918.30 1925.10 1948.66 1968.14 2006.36 2040.01 2047.71 2058.57 2069.80 2101.85 2124.56 2155.89 2172.66 2173.65 2229.70 2250.36 2258.24 2282.37 2288.87 2311.99 2320.75 2342.71 2345.18 2352.05 2353.64 2359.87 2364.32 2364.52 2412.12 2427.16 2449.31 2537.40 2569.72 2598.93 2600.46 2606.93 2651.41 2821.77 2854.83 2894.59 4618.78 4621.49 4638.62 4685.43 4696.54 4705.14 4712.35 4738.04 4740.86 4753.80 4824.75 4838.38 4846.99 4854.75 4858.17 4860.20 4865.68 4903.25 4904.32 5477.44 5525.06 5855.56
0.457852
0.485957
0.486901
0.393873
-1491.667580
-1491.639475
-1491.638531
-1491.731559
3.120174D-04
MUNgauss
RevisionA2.0
retrievium
18-Jan-2021
DUDE CCOc1cc(ccc1O)[C@H]2C(=C(N=C3N2NN=[NH+]3)C(=O)OC)C(=O)c4ccc(cc4)C C13123458
RHF
6-31G(d)
(6D,10F)
C1
436.162094
|X|Y|Z|
87.141433 72.716392 40.924187
63.769404
22
|36.858105|
|12.584448|36.858105|
|8.045930|13.452193|73.516695|
|5.219722|7.930742|25.142519|36.858105|
|4.354664|6.575828|13.937675|13.815452|36.858105|
|3.310054|4.441219|9.196089|7.904573|13.609951|36.858105|
|2.972277|3.762428|8.215148|6.851304|7.917473|13.776114|36.858105|
|3.208303|3.970955|9.436278|7.904829|6.871089|7.939361|13.748680|36.858105|
|4.109813|5.249438|14.655741|13.583445|7.927273|6.861025|7.941543|13.802219|36.858105|
|4.104190|4.722850|12.842678|8.016946|5.256991|4.634928|5.275783|8.127621|14.284305|73.516695|
|2.819930|3.633475|6.864212|5.040138|7.606675|12.600846|7.535061|5.016523|4.443402|6.025349|36.858105|
|2.977445|3.888637|6.926193|4.836472|7.432796|8.936768|5.609617|4.206329|4.012119|5.589629|17.614240|0.500000|
|2.396991|2.952217|5.537681|3.879339|5.085738|7.355158|6.151329|4.289974|3.667528|5.214855|12.463264|0.248505|36.858105|
|2.078395|2.485412|4.682400|3.191772|3.919587|5.331086|5.074850|3.727010|3.137588|4.614977|7.562385|0.164373|14.313555|36.858105|
|1.982568|2.348819|4.460013|3.015220|3.623502|4.812467|4.737314|3.572114|3.002147|4.467616|6.407600|0.140779|7.843674|13.468875|53.358707|
|2.153579|2.586543|4.926450|3.364871|4.146096|5.546094|5.167677|3.848636|3.281765|4.807853|7.603736|0.162877|7.150391|8.582883|20.941510|36.858105|
|2.513959|3.126740|5.908155|4.137567|5.554747|7.655378|5.972326|4.303901|3.802482|5.379591|12.733863|0.255216|7.983980|7.150457|11.027944|13.886112|53.358707|
|2.609820|3.227814|6.146992|4.212374|5.373431|6.433358|5.295173|4.180092|3.847292|5.527829|7.554272|0.182161|5.164619|4.813014|7.681756|8.789999|19.171932|53.358707|
|2.282939|2.722743|5.207253|3.457601|4.082870|4.791853|4.423282|3.662979|3.320257|4.963574|5.368257|0.130761|4.276535|4.350501|7.589459|8.581646|11.981338|20.963491|53.358707|
|2.065130|2.439018|4.659513|3.104373|3.655062|4.508871|4.347873|3.500426|3.058417|4.598349|5.348743|0.125417|4.736477|5.310857|10.873129|13.637668|12.052274|12.772881|20.150447|53.358707|
|1.879658|2.179080|4.160562|2.721015|3.098805|3.716227|3.722860|3.118536|2.730999|4.208505|4.226501|0.101816|3.962179|4.574750|9.240745|8.811930|8.274558|8.729014|13.045362|25.903785|0.500000|
|1.839968|2.146727|4.006922|2.649187|3.103722|3.913708|3.891557|3.087702|2.644345|4.023691|4.883279|0.118044|7.744249|12.657004|10.504587|5.342756|6.236614|4.759789|4.486481|5.352824|0.101036|36.858105|
|1.818301|2.109856|3.878296|2.525653|2.943682|3.573654|3.467973|2.830761|2.487940|3.820848|4.376452|0.111981|6.710541|8.085039|7.335804|4.213173|5.314139|4.167876|3.870404|4.427063|0.083688|16.048550|73.516695|
|1.680108|1.931863|3.635768|2.379579|2.706659|3.349152|3.479501|2.853341|2.428018|3.764494|3.940316|0.095433|5.397621|8.137444|9.724446|4.885704|5.382877|4.335351|4.276938|5.230305|0.103615|14.598694|15.271631|73.516695|
|1.519162|1.719285|3.211603|2.060357|2.292442|2.728947|2.835723|2.426495|2.107218|3.338541|3.095956|0.077806|4.008858|5.186671|6.361716|3.585757|4.166907|3.502375|3.472382|4.096594|0.082752|8.177026|12.725925|23.724385|36.858105|
|2.448947|2.993531|5.517123|3.770466|4.745221|6.039539|5.226024|3.991006|3.542258|5.133477|7.507941|0.192523|12.474176|7.539041|6.738720|4.546305|6.861929|5.179507|4.400263|4.680518|0.083636|6.459148|12.363718|8.144334|3.751180|36.858105|
|2.440219|2.944867|5.576149|3.827264|4.525969|5.669783|5.500494|4.354396|3.770067|5.504948|5.888644|0.145870|8.175753|6.064145|5.870855|3.944466|5.754607|4.588537|3.991178|4.226553|0.077026|5.673862|10.713538|7.727132|3.680707|16.006369|73.516695|
|2.433400|2.941390|5.153652|3.347132|4.158467|4.678812|3.915555|3.210953|3.026592|4.516798|5.785899|0.177225|7.360814|5.351943|5.350924|3.735996|5.746204|4.554382|3.884451|4.038102|0.072933|4.964153|10.303953|6.595780|3.223943|12.838579|14.347512|36.858105|
|2.480151|2.937062|5.056806|3.173822|3.739488|3.926300|3.407122|2.957494|2.873492|4.397009|4.331952|0.131553|4.967582|3.929991|4.202930|2.970970|4.515335|3.789873|3.285653|3.359088|0.061722|3.821164|7.914468|5.420705|2.774334|7.705139|11.998755|13.661684|36.858105|
|2.356608|2.717907|4.539181|2.745008|3.160947|3.193014|2.785741|2.484502|2.467475|3.865696|3.511850|0.109284|3.829172|3.201809|3.586107|2.565598|3.876253|3.353201|2.942517|2.981501|0.055310|3.152910|6.472100|4.627625|2.424937|5.084994|8.069264|7.923951|13.825162|36.858105|
|2.209214|2.535638|4.191014|2.519317|2.933179|2.968720|2.562706|2.269725|2.252348|3.535785|3.397347|0.108479|3.654309|3.135300|3.579914|2.577991|3.890905|3.376715|2.974899|3.014433|0.055957|3.073093|6.263051|4.529891|2.372138|4.448448|6.747150|6.805491|7.892562|13.652430|36.858105|
|2.176467|2.539325|4.247548|2.605061|3.125274|3.260338|2.761980|2.380316|2.325384|3.599142|3.982525|0.130348|4.361284|3.736135|4.217018|3.033467|4.601476|3.884858|3.397820|3.477266|0.063919|3.588428|7.286027|5.158652|2.638989|5.034360|7.113339|7.915150|6.884548|7.962569|13.713806|36.858105|
|2.274024|2.717665|4.666902|2.966444|3.687410|4.062591|3.369462|2.789471|2.658430|4.019220|5.345453|0.175128|6.364756|5.089784|5.351831|3.788021|5.817860|4.625768|3.968062|4.130854|0.074584|4.695218|9.583071|6.344617|3.111779|7.560680|9.401358|13.719774|7.942868|6.894523|7.899522|13.760357|36.858105|
|2.028621|2.260691|3.696275|2.167741|2.453540|2.437620|2.144742|1.943636|1.950365|3.123437|2.716579|0.085324|2.847183|2.533861|3.000797|2.175659|3.240011|2.898675|2.597365|2.614584|0.049140|2.508682|5.015135|3.828387|2.044626|3.289455|5.211013|4.421707|5.022179|7.559012|12.622313|7.541845|5.012420|36.858105|
|17.569583|8.897156|10.226363|4.231375|3.805123|2.977329|2.646914|2.778239|3.400143|5.941534|2.634998|0.078689|2.265051|1.971753|2.555587|2.031735|3.217924|3.323392|2.918896|2.651459|0.049386|1.758912|3.113157|2.850718|1.457812|2.327362|4.075819|2.368383|2.435180|2.368455|2.245325|2.192953|2.246769|2.094664|0.500000|
|17.582372|8.861497|12.910134|4.834953|3.982115|3.101880|2.841064|3.108333|3.977279|7.306872|2.646236|0.076527|2.245382|1.976711|2.608390|2.095033|3.301472|3.504655|3.107100|2.783372|0.051984|1.748087|3.045538|2.866506|1.458106|2.248736|3.982225|2.208562|2.218250|2.105656|1.996452|1.989616|2.085078|1.842910|0.300793|0.500000|
|17.584956|8.864471|12.863608|4.904032|3.993802|3.132377|2.894227|3.189686|4.093626|7.584167|2.651220|0.076659|2.308336|2.008566|2.588506|2.038196|3.189685|3.259453|2.879734|2.644299|0.049419|1.799717|3.176959|2.929324|1.499765|2.400770|4.336297|2.373535|2.461674|2.331327|2.149384|2.090666|2.184163|1.976262|0.300861|0.300560|0.500000|
|8.850874|17.547536|16.522659|6.948269|6.621603|4.486286|3.672784|3.726551|4.685208|7.316645|3.812157|0.116167|3.006102|2.539544|3.313331|2.732144|4.587942|4.872116|4.048831|3.546931|0.064178|2.165999|3.760895|3.463740|1.723805|2.957105|5.033946|2.930710|2.852125|2.664515|2.553752|2.610157|2.788680|2.282584|0.213047|0.212112|0.173414|0.500000|
|8.828614|17.564087|16.536905|7.203422|6.704977|4.594471|3.802189|3.883811|4.902101|7.626505|3.833851|0.116752|3.167191|2.611671|3.277147|2.613055|4.307295|4.276093|3.584938|3.275811|0.059599|2.269219|4.021053|3.580439|1.795670|3.336038|5.824387|3.355301|3.436214|3.171617|2.897570|2.850246|3.040233|2.549083|0.211902|0.173187|0.212178|0.300342|0.500000|
|4.616115|7.272484|12.489832|8.950020|17.722464|8.870159|5.638843|4.951853|5.637621|7.526984|7.083255|0.230416|4.780927|3.685335|4.621197|3.887929|7.211303|7.012612|5.285908|4.694009|0.081352|2.956487|5.077452|4.546836|2.186829|4.554833|7.374496|4.325201|3.906493|3.398228|3.216719|3.441138|3.979819|2.688160|0.116348|0.114385|0.113236|0.224803|0.216946|0.500000|
|2.547388|3.112652|6.518001|4.941755|5.625453|8.897603|17.719662|8.953148|5.660347|7.578293|6.927869|0.140329|6.683177|6.037558|7.716759|5.792224|8.096195|6.815685|6.029439|6.376186|0.113124|4.573499|6.929680|7.403560|3.286510|5.371166|10.211335|3.864107|3.300181|2.691252|2.491056|2.711468|3.343141|2.084987|0.064121|0.068022|0.069325|0.085144|0.087975|0.123793|0.500000|
|2.827560|3.333821|7.653922|5.646461|4.953795|5.637628|8.869820|17.747404|9.009360|13.241942|4.076723|0.096371|3.721227|3.396552|4.501674|3.465186|4.993290|4.874830|4.479614|4.381430|0.082004|2.918739|4.744273|4.935085|2.395760|3.502774|6.933185|2.843144|2.651478|2.251580|2.059758|2.147456|2.488255|1.783846|0.068664|0.077070|0.079315|0.086909|0.090462|0.107556|0.214623|0.500000|
|4.966066|5.507928|15.834059|7.951097|5.059873|4.201180|4.447122|6.066840|10.099885|35.626297|3.165033|0.083906|2.723908|2.400658|3.156377|2.502893|3.849609|3.988046|3.565924|3.273696|0.061176|2.104910|3.589135|3.487190|1.751652|2.711279|5.098259|2.449730|2.415923|2.155646|1.975960|1.995276|2.197873|1.760030|0.107723|0.139892|0.146266|0.127820|0.133187|0.118318|0.101279|0.151797|0.500000|
|2.937041|3.702054|6.984581|4.719856|6.053219|6.388000|5.033775|4.192406|4.094754|5.873283|6.718627|0.177992|4.505376|4.027917|6.013660|6.075451|12.403732|25.845552|13.199178|8.670792|0.136317|3.056930|4.900069|4.936057|2.300897|3.548357|5.652046|3.212639|2.738899|2.451403|2.464440|2.792820|3.249347|2.132776|0.076035|0.080998|0.073383|0.118186|0.097776|0.167043|0.124726|0.098077|0.088022|0.500000|
|1.438710|1.616897|3.033938|1.936503|2.127262|2.511325|2.647300|2.303201|1.999280|3.199413|2.792393|0.070097|3.453183|4.387475|5.832771|3.362538|3.855398|3.323036|3.364457|3.987228|0.082604|5.976067|9.153025|16.897444|17.686766|3.180837|5.610784|2.758228|2.413995|2.137905|2.097675|2.314489|2.679582|1.836617|0.038301|0.038606|0.039462|0.045081|0.046509|0.056171|0.085288|0.064002|0.046563|0.060649|0.500000|
|1.469813|1.658225|3.059442|1.943622|2.172322|2.543857|2.574861|2.214599|1.958733|3.112051|2.932109|0.075517|3.754979|4.727632|5.791007|3.348987|3.958682|3.338865|3.300356|3.857294|0.077756|7.238156|12.698001|16.410113|17.650396|3.565675|6.040657|3.214455|2.767252|2.466783|2.459570|2.761805|3.207555|2.133074|0.039449|0.039126|0.040201|0.046388|0.048251|0.058448|0.080845|0.060164|0.045747|0.061289|0.298263|0.500000|
|1.532947|1.730388|3.240114|2.076335|2.288783|2.708919|2.846153|2.463625|2.137953|3.401836|2.998303|0.075583|3.890726|4.735971|5.553391|3.242140|3.899533|3.295613|3.223323|3.715573|0.074281|7.240936|12.679206|16.414795|17.652711|3.865189|7.037746|3.296320|2.903763|2.512353|2.405250|2.618730|3.073668|2.067805|0.040800|0.040710|0.042334|0.047744|0.050480|0.060362|0.091352|0.068016|0.049512|0.060928|0.298225|0.299695|0.500000|
|2.536130|2.983196|5.238970|3.295232|3.753796|3.926210|3.535859|3.138397|3.046226|4.689936|4.055747|0.117791|4.609570|3.696200|3.992270|2.814532|4.232389|3.603314|3.146218|3.211839|0.059366|3.627849|7.381396|5.261242|2.716515|7.194239|13.448178|8.926665|17.747529|8.924419|5.622706|4.960421|5.656380|4.093506|0.068350|0.062774|0.071244|0.078471|0.097353|0.105243|0.094792|0.078702|0.071279|0.072540|0.066103|0.073903|0.080543|0.500000|
|2.316680|2.610094|4.337400|2.569262|2.865582|2.839679|2.531679|2.316755|2.328686|3.715353|3.010057|0.091909|3.219892|2.754695|3.153876|2.263064|3.388552|2.994686|2.654983|2.676530|0.050074|2.738409|5.547773|4.125508|2.196619|4.144268|6.984567|5.643248|8.965330|17.710868|8.898943|5.655250|4.962670|7.023985|0.065108|0.057271|0.064507|0.070088|0.084756|0.084869|0.067722|0.058901|0.057957|0.061244|0.054382|0.061853|0.063715|0.215646|0.500000|
|2.032908|2.342938|3.907331|2.372252|2.817514|2.925047|2.500514|2.171347|2.125653|3.318956|3.575321|0.116155|3.820481|3.420819|4.013279|2.909865|4.358165|3.749677|3.325662|3.400656|0.062951|3.292698|6.531763|4.856119|2.502486|4.099054|5.943959|5.642276|4.958137|5.652082|8.915020|17.717425|8.942434|6.984417|0.057266|0.052137|0.053902|0.067786|0.071759|0.086364|0.068495|0.054769|0.051234|0.074841|0.061616|0.073697|0.067936|0.107654|0.124154|0.500000|
|2.174098|2.597875|4.519897|2.900804|3.636778|4.144997|3.440700|2.795296|2.623203|3.951754|5.870188|0.188390|7.172485|6.061377|6.385039|4.492676|6.802410|5.205460|4.477494|4.761072|0.085109|5.333462|10.334668|7.090221|3.365900|6.924961|8.629284|8.886451|5.638189|4.963604|5.640662|8.958280|17.715494|4.095747|0.059386|0.056126|0.057594|0.075168|0.078826|0.107839|0.096605|0.069413|0.059654|0.098719|0.080419|0.097073|0.089480|0.124117|0.107697|0.217125|0.500000|
|1.849567|2.039084|3.379789|1.984213|2.216821|2.227762|1.998810|1.821162|1.814190|2.928107|2.462839|0.075519|2.633141|2.391436|2.834707|2.029143|2.966461|2.656019|2.408359|2.445486|0.046349|2.429248|4.916088|3.742731|2.035698|3.053357|4.937232|3.979593|4.561662|6.565790|8.879227|6.027184|4.363873|17.547241|0.052775|0.046955|0.050489|0.056771|0.063312|0.066249|0.054524|0.046897|0.045676|0.053905|0.050768|0.059392|0.057580|0.106950|0.182301|0.157826|0.101525|0.500000|
|1.951301|2.169080|3.537927|2.070156|2.350540|2.336304|2.049526|1.853690|1.859645|2.980772|2.635896|0.083274|2.728058|2.462146|2.965529|2.165053|3.219252|2.902321|2.612654|2.624263|0.049404|2.420286|4.772044|3.722566|1.983554|3.030434|4.753505|3.953215|4.173192|5.577825|8.834779|7.208623|4.736503|17.590467|0.056196|0.049652|0.052308|0.061734|0.066997|0.071977|0.055448|0.047284|0.046687|0.059344|0.049767|0.057851|0.055042|0.096012|0.141058|0.220189|0.112928|0.301841|0.500000|
|2.139340|2.357332|3.794815|2.189054|2.444595|2.374153|2.089934|1.921184|1.956187|3.155780|2.578828|0.081022|2.638186|2.331715|2.789147|2.043157|3.066768|2.784688|2.490419|2.479897|0.046623|2.281780|4.490215|3.517671|1.876107|3.042140|4.922727|3.960929|4.653498|6.897396|8.851299|5.760470|4.249107|17.564840|0.062072|0.053546|0.058057|0.065684|0.074488|0.074875|0.055829|0.048933|0.049808|0.057577|0.047197|0.053799|0.052904|0.109850|0.200959|0.147447|0.098194|0.302350|0.301352|0.500000|
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