Version2.1
2021-01-14T19:11:33Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
25-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE C[C@H](c1ccc2c(c1)CCC(=O)N2)NC(=O)[C@@H]3CC(=O)N(C3)c4cccc(c4)C(F)(F)F C58406775
RHF
6-31G(d)
(6D,7F)
C[C@H](c1ccc2c(c1)CCC(=O)N2)NC(=O)[C@@H]3CC(=O)N(C3)c4cccc(c4)C(F)(F)F
C01[X(C23H22F3N3O3)]
156
C1
524
O=C1CCc2c(N1)ccc(c2)[C@H](NC(=O)[C@@H]1CC(=O)N(C1)c1cccc(c1)C(F)(F)F)C
O=C1CCc2c(N1)ccc(c2)[C@H](NC(=O)[C@@H]1CC(=O)N(C1)c1cccc(c1)C(F)(F)F)C
C[C@@H](NC(=O)[C@H]1CN(C(=O)C1)c2cccc(c2)C(F)(F)F)c3ccc4NC(=O)CCc4c3
InChIKey=VPQDTUYINJQDOS-CZUORRHYSA-N
InChI=1S/C23H22F3N3O3/c1-13(14-5-7-19-15(9-14)6-8-20(30)28-19)27-22(32)16-10-21(31)29(12-16)18-4-2-3-17(11-18)23(24,25)26/h2-5,7,9,11,13,16H,6,8,10,12H2,1H3,(H,27,32)(H,28,30)/t13-,16-/m1/s1
InChI=1/C23H22F3N3O3/c1-13(14-5-7-19-15(9-14)6-8-20(30)28-19)27-22(32)16-10-21(31)29(12-16)18-4-2-3-17(11-18)23(24,25)26/h2-5,7,9,11,13,16H,6,8,10,12H2,1H3,(H,27,32)(H,28,30)/t13-,16-/m1/s1/f/h27-28H
C[C@H](c1ccc2c(c1)CCC(=O)N2)NC(=O)[C@@H]3CC(=O)N(C3)c4cccc(c4)C(F)(F)F
C01[X(C23H22F3N3O3)]
156
C01
524
O=C1CCc2c(N1)ccc(c2)[C@H](NC(=O)[C@@H]1CC(=O)N(C1)c1cccc(c1)C(F)(F)F)C
O=C1CC[C]2[C]([CH][CH][C]([CH]2)[C@H](NC(=O)[C@@H]2CC(=O)N(C2)[C]2[CH][CH][CH][C]([CH]2)C(F)(F)F)C)N1
C[C@@H](NC(=O)[C@H]1CN([C]2[CH][CH][CH][C]([CH]2)C(F)(F)F)C(=O)C1)[C]3[CH][CH][C]4NC(=O)CC[C]4[CH]3
InChIKey=VPQDTUYINJQDOS-CZUORRHYSA-N
InChI=1S/C23H22F3N3O3/c1-13(14-5-7-19-15(9-14)6-8-20(30)28-19)27-22(32)16-10-21(31)29(12-16)18-4-2-3-17(11-18)23(24,25)26/h2-5,7,9,11,13,16H,6,8,10,12H2,1H3,(H,27,32)(H,28,30)/t13-,16-/m1/s1
InChI=1/C23H22F3N3O3/c1-13(14-5-7-19-15(9-14)6-8-20(30)28-19)27-22(32)16-10-21(31)29(12-16)18-4-2-3-17(11-18)23(24,25)26/h2-5,7,9,11,13,16H,6,8,10,12H2,1H3,(H,27,32)(H,28,30)/t13-,16-/m1/s1/f/h27-28H
3013.0317297205
-1570.137829
1-A
26955.0143
116
408
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|A|A|
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11.73101
2.9318 0.4877 -1.1918
3.2022
|XX|YY|ZZ|XY|XZ|YZ|
-240.4263 -191.4254 -182.8894 7.6394 3.9994 -1.9546
|XX|YY|ZZ|XY|XZ|YZ|
-35.5126 13.4883 22.0243 7.6394 3.9994 -1.9546
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-600.2131 -83.1449 -17.8292 60.3091 198.7238 166.6634 -34.5962 -10.0878 18.0775 -78.7195
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-37753.8391 -3158.3266 -1103.4887 1145.4796 654.0196 292.1788 53.6097 15.9129 -16.8144 -5776.1966 -5337.5142 -688.8760 -302.4682 -60.2194 107.3893
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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|
4.6094 7.7345 13.1035 18.4923 20.6851 37.4724 44.0768 68.4362 77.3708 98.0068 103.6391 130.8460 145.2905 150.5268 158.1488 188.7625 206.2249 219.7718 241.1790 273.8917 277.8563 290.7984 299.1688 311.5877 335.6411 351.8025 357.4837 375.4852 390.7948 419.1207 432.5355 450.7881 471.3192 475.7181 489.2460 507.6945 515.4148 553.5712 568.7523 581.9399 583.9796 600.0880 616.1708 633.4045 638.8044 662.7840 684.7591 698.2678 708.1401 716.5563 740.2987 750.4396 765.1137 777.9176 793.6235 816.9889 825.9189 856.0318 868.8916 900.1601 908.0988 910.9306 939.1897 978.9487 985.1589 996.2667 1005.1356 1022.0319 1024.0651 1028.8054 1049.2415 1061.9644 1078.3223 1081.5984 1086.3206 1089.2797 1123.6725 1138.4153 1153.9877 1159.2355 1179.6947 1185.9888 1199.3913 1211.6973 1226.3786 1235.1260 1239.7240 1259.9245 1263.7731 1296.2572 1302.6195 1305.1928 1327.4772 1336.3192 1344.6779 1345.9962 1353.5112 1358.0792 1372.1438 1375.2580 1389.9141 1407.5115 1427.7943 1440.3163 1446.5873 1468.0883 1475.6448 1481.4371 1491.9790 1493.5362 1508.8858 1521.5582 1542.9652 1562.5119 1574.7923 1578.1305 1612.8703 1620.4015 1627.6157 1630.5738 1633.5316 1641.9253 1649.7597 1668.0537 1675.8591 1682.8890 1697.3010 1792.4302 1798.1067 1820.0370 1825.4271 1946.2299 1982.7453 1992.2099 3194.7345 3210.6857 3213.1729 3216.0147 3235.5900 3254.3749 3262.8180 3267.9605 3285.7685 3303.6516 3304.0773 3304.5825 3325.8211 3355.2988 3356.4519 3375.2115 3378.8023 3410.7077 3411.7044 3458.3916 3855.1353 3886.1461
7.4396 16.4110 5.4128 5.3995 5.9457 5.6934 7.6414 6.1108 7.6835 5.3514 6.4449 5.3230 3.4388 4.8542 4.6175 4.4758 4.6673 5.6699 3.1083 1.5514 2.2154 3.7967 3.2700 4.4233 3.4721 5.0093 5.8130 4.7644 7.0287 2.4557 1.8310 2.8095 6.6012 4.8648 3.7012 3.7279 3.4128 3.7021 7.1523 3.1860 1.9916 4.0135 2.9449 2.5062 7.9596 3.2376 3.2818 4.7657 4.7760 6.4662 5.4364 4.1786 7.4319 2.2300 3.6417 4.2775 5.7821 2.9240 6.2917 4.3526 1.6080 2.6492 1.5009 3.2749 2.9756 2.3378 1.5947 1.8503 2.8392 1.4518 1.4204 4.4424 1.5572 2.1380 2.0444 6.2219 1.3372 1.8073 2.1141 2.2176 1.9625 2.3561 2.6245 2.0781 2.5169 2.4302 2.4676 3.2026 2.2889 1.2442 1.3742 1.5221 1.3942 1.6728 9.4231 1.7126 2.3284 1.3529 1.9771 6.0900 2.4771 1.8924 1.6298 1.9168 2.1017 1.6848 1.8114 1.4488 4.3403 1.5601 1.3000 1.7558 1.6600 1.3202 2.0805 1.9659 1.0905 1.1024 3.4672 1.0873 1.1403 2.2012 1.0666 1.1584 2.3867 2.5638 2.0963 5.8359 5.6669 5.2290 5.7834 9.3238 11.9931 9.0747 1.0720 1.0728 1.0693 1.0370 1.0710 1.0835 1.0957 1.0935 1.0971 1.0958 1.1022 1.0993 1.0958 1.0899 1.0908 1.0956 1.0910 1.0917 1.0946 1.0940 1.0781 1.0792
0.0001 0.0006 0.0005 0.0011 0.0015 0.0047 0.0087 0.0169 0.0271 0.0303 0.0408 0.0537 0.0428 0.0648 0.0680 0.0940 0.1169 0.1614 0.1065 0.0686 0.1008 0.1892 0.1724 0.2530 0.2305 0.3653 0.4377 0.3958 0.6324 0.2542 0.2018 0.3364 0.8640 0.6487 0.5220 0.5661 0.5342 0.6684 1.3631 0.6357 0.4002 0.8515 0.6588 0.5924 1.9137 0.8380 0.9066 1.3691 1.4111 1.9561 1.7554 1.3865 2.5633 0.7951 1.3514 1.6822 2.3238 1.2624 2.7986 2.0780 0.7813 1.2952 0.7800 1.8491 1.7015 1.3671 0.9493 1.1387 1.7543 0.9054 0.9213 2.9518 1.0668 1.4736 1.4215 4.3496 0.9948 1.3800 1.6588 1.7558 1.6092 1.9526 2.2245 1.7976 2.2303 2.1843 2.2345 2.9953 2.1539 1.2318 1.3738 1.5277 1.4475 1.7600 10.0387 1.8281 2.5133 1.4702 2.1931 6.7863 2.8195 2.2089 1.9575 2.3428 2.5913 2.1395 2.3239 1.8734 5.6924 2.0504 1.7439 2.3949 2.3285 1.8991 3.0399 2.8847 1.6714 1.7055 5.4117 1.7032 1.7928 3.4963 1.7104 1.8990 3.9493 4.2780 3.5581 11.0470 10.7951 10.2053 11.3544 20.8080 27.7790 21.2204 6.4464 6.5155 6.5047 6.3195 6.6060 6.7611 6.8728 6.8803 6.9785 7.0462 7.0896 7.0727 7.1411 7.2292 7.2404 7.3535 7.3383 7.4822 7.5069 7.7093 9.4400 9.6026
0.2063 0.0669 0.1506 0.4009 0.8176 1.3962 6.7265 2.2066 4.4213 3.3595 1.7269 2.5318 1.8737 0.1161 0.4918 2.2258 5.6727 0.6444 0.1433 2.4823 1.5823 2.4460 7.0857 4.4806 16.4761 13.1171 0.1919 3.2849 1.2391 28.4888 66.3253 0.5110 3.3400 7.3513 5.2084 2.7370 2.0950 19.2674 7.8469 26.9057 31.6742 4.3562 9.1484 35.5019 6.0686 17.4784 4.9622 5.6206 8.6693 9.5642 15.4807 10.1068 34.2885 24.9860 15.7442 3.7522 1.7045 8.8870 1.5695 1.5338 33.5097 8.6105 40.8141 10.6075 4.0184 7.5510 19.9513 4.5338 5.5122 11.5622 2.0123 13.6881 4.2104 9.1093 7.3403 5.7354 0.8726 22.3704 2.3291 4.1676 22.6294 22.7625 5.1225 17.8669 21.3454 44.0763 21.3966 56.5297 30.3860 7.8364 19.4062 6.6215 33.6371 271.1954 292.1648 79.0210 16.1047 24.0690 78.6180 123.8037 133.3024 56.7021 51.4010 48.7466 144.2864 18.4937 10.7399 5.7671 537.5014 33.9575 7.4904 124.6695 17.1487 5.8301 72.3882 20.3920 7.7582 3.1638 313.7204 18.2070 16.1968 90.1876 10.0707 171.5446 46.1923 419.1783 260.0182 2.8179 26.7972 26.7707 51.2948 306.7812 448.9972 699.1319 22.6764 39.1331 19.8423 19.8033 15.4928 33.2331 23.3435 3.2491 36.8672 20.7290 26.9339 6.8485 5.5811 23.9537 5.6293 16.6905 13.6576 7.4208 3.4292 0.4884 53.8981 39.4522
0.5351 0.1096 2.3921 2.1769 0.8986 3.9900 0.4290 0.7856 0.3329 0.6015 0.7507 2.6883 1.7181 1.7251 2.2915 1.0574 2.0019 0.6273 2.3147 1.1189 0.4876 1.8101 0.6373 1.3672 0.9568 1.3420 0.6933 0.4501 1.8431 0.8313 1.1656 0.8985 0.7204 2.1950 2.2500 0.9105 1.1137 2.3161 0.7339 2.7586 4.3683 2.6149 0.5257 3.8836 0.7260 0.5957 1.5647 2.6982 1.0104 3.9106 1.5435 5.1791 4.9604 0.3393 9.2171 6.8554 10.1412 2.2618 1.5740 2.2346 1.3326 2.9687 1.4893 4.2001 10.5242 3.8219 1.7477 3.0365 2.5122 2.0900 0.7402 0.8641 0.8861 3.1420 3.4265 41.6363 0.5490 8.5920 1.8117 2.8171 2.0027 4.3672 6.8135 4.0994 7.3331 2.6761 2.3616 7.2140 16.1059 2.9281 1.6594 5.4783 3.1540 2.7758 1.3321 2.6152 23.8881 6.1964 22.8185 1.1754 3.8123 6.2980 6.4978 10.5728 5.5601 9.6443 0.6932 0.1688 29.0992 11.5056 5.9460 2.1946 6.0409 2.1496 5.1009 16.3491 13.6684 10.5724 10.6168 16.6020 8.4624 17.4410 14.1351 20.1873 1.0168 20.9071 1.2438 18.7131 31.0170 53.8157 107.9735 4.4160 10.9793 29.7359 145.2642 53.3932 44.4647 101.9931 64.0717 132.5845 61.8943 41.1383 40.6654 122.3219 104.9171 72.4243 31.9424 13.7037 94.4806 123.8462 91.6067 25.7198 159.8437 50.3638 87.8038 30.3497
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0.8571 0.8510 0.8567 0.8485 0.8567 0.8485 0.8510 0.8560 0.8475 0.8512 0.8321 0.8530 0.8240 0.8542 0.8099 0.5121 0.5447 0.4527 0.5861 0.4016 0.7079 0.4740 0.5263 0.8411 0.7670 0.8528 0.8255 0.6229 0.5596 0.8452 0.5985 0.7563 0.5914 0.4383 0.8334 0.8568 0.5339 0.7765 0.6817 0.2757 0.7338 0.7072 0.5108 0.2738 0.7044 0.7995 0.8077 0.7142 0.8205 0.5459 0.5056 0.3126 0.0989 0.8474 0.3775 0.3040 0.1276 0.3474 0.3955 0.4057 0.7808 0.5738 0.8403 0.2179 0.0824 0.8437 0.8498 0.8010 0.8005 0.8571 0.8137 0.7076 0.8571 0.6799 0.7111 0.2297 0.7976 0.3158 0.7559 0.8544 0.8236 0.5580 0.7367 0.6008 0.8434 0.8442 0.8502 0.6940 0.2513 0.8021 0.7771 0.8569 0.3994 0.8141 0.8571 0.7837 0.2864 0.8481 0.3383 0.4447 0.8455 0.7120 0.3963 0.4202 0.7783 0.5103 0.6684 0.7748 0.2604 0.5389 0.8516 0.5092 0.8269 0.5810 0.6902 0.4005 0.8561 0.8459 0.6120 0.8409 0.5719 0.6134 0.8546 0.6953 0.6165 0.4994 0.8019 0.6655 0.6390 0.7297 0.6320 0.5782 0.5993 0.5540 0.3003 0.4233 0.4154 0.0416 0.5084 0.1844 0.6185 0.8173 0.5693 0.5798 0.6944 0.7163 0.5878 0.6065 0.6247 0.2762 0.6270 0.6246 0.3374 0.3513 0.3249 0.2616
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 1 6 6 6 6 6 6 6 6 6 8 7 7 6 8 6 1 6 6 8 7 6 6 6 6 6 6 6 6 9 9 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 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
5690.6705 46879.0197 49952.0911
0.99996 -0.00918 0.00064 0.00918 0.99995 0.00338 -0.00067 -0.00337 0.99999
1
0.01522 0.00185 0.00173
0.31714 0.03850 0.03613
6.63 11.13 18.85 26.61 29.76 53.91 63.42 98.46 111.32 141.01 149.11 188.26 209.04 216.57 227.54 271.59 296.71 316.20 347.00 394.07 399.77 418.39 430.44 448.31 482.91 506.17 514.34 540.24 562.27 603.02 622.32 648.58 678.12 684.45 703.92 730.46 741.57 796.47 818.31 837.28 840.22 863.39 886.53 911.33 919.10 953.60 985.22 1004.65 1018.86 1030.96 1065.12 1079.72 1100.83 1119.25 1141.85 1175.46 1188.31 1231.64 1250.14 1295.13 1306.55 1310.63 1351.28 1408.49 1417.42 1433.41 1446.17 1470.48 1473.40 1480.22 1509.62 1527.93 1551.47 1556.18 1562.97 1567.23 1616.71 1637.93 1660.33 1667.88 1697.32 1706.37 1725.66 1743.36 1764.49 1777.07 1783.69 1812.75 1818.29 1865.02 1874.18 1877.88 1909.94 1922.67 1934.69 1936.59 1947.40 1953.97 1974.21 1978.69 1999.78 2025.10 2054.28 2072.29 2081.32 2112.25 2123.12 2131.46 2146.63 2148.87 2170.95 2189.18 2219.98 2248.11 2265.77 2270.58 2320.56 2331.40 2341.78 2346.03 2350.29 2362.36 2373.64 2399.96 2411.19 2421.30 2442.04 2578.91 2587.07 2618.63 2626.38 2800.19 2852.73 2866.35 4596.51 4619.46 4623.04 4627.13 4655.29 4682.32 4694.47 4701.87 4727.49 4753.22 4753.83 4754.56 4785.11 4827.53 4829.19 4856.18 4861.34 4907.25 4908.68 4975.85 5546.68 5591.30
0.457502
0.483972
0.484916
0.392715
-1569.680328
-1569.653857
-1569.652913
-1569.745114
3.092437D-04
MUNgauss
RevisionA2.0
retrievium
14-Jan-2021
DUDE C[C@H](c1ccc2c(c1)CCC(=O)N2)NC(=O)[C@@H]3CC(=O)N(C3)c4cccc(c4)C(F)(F)F C58406775
RHF
6-31G(d)
(6D,10F)
C1
445.161327
|X|Y|Z|
153.680287 49.611356 29.598747
60.882274
24
|36.858105|
|12.448831|36.858105|
|8.959929|17.618371|0.500000|
|7.472141|12.541181|0.249265|36.858105|
|6.138933|7.490869|0.155532|13.705908|36.858105|
|4.313296|4.991230|0.116637|7.888943|13.773777|36.858105|
|3.710610|4.416703|0.111286|6.817223|7.942826|13.740401|36.858105|
|3.943137|4.996576|0.133925|7.846110|6.862168|7.913084|13.686375|36.858105|
|5.203405|7.548863|0.206032|13.710102|8.002893|6.917840|7.973219|13.761174|36.858105|
|3.112194|3.757493|0.106529|4.974110|4.445375|5.050011|7.657800|12.610030|7.474945|36.858105|
|2.600486|3.062139|0.084740|3.910393|3.793765|4.559083|6.746328|7.620100|5.083861|12.452558|36.858105|
|2.535448|2.891385|0.077448|3.732316|3.933299|5.166848|7.749373|6.578077|4.460674|7.533522|12.585860|36.858105|
|2.204909|2.455816|0.065945|3.043064|3.234046|4.105203|5.384844|4.661423|3.486730|5.285477|7.961773|15.933145|73.516695|
|2.933339|3.334698|0.086389|4.542259|5.172458|7.867293|13.611018|7.913140|5.196017|6.842811|7.840206|13.929743|15.135785|53.358707|
|7.703241|13.006321|0.257774|7.830154|6.120955|4.362901|3.820510|4.130574|5.560525|3.242681|2.792279|2.646016|4.059389|4.087083|53.358707|
|5.954628|7.719906|0.203590|5.175224|4.271993|3.337422|3.042322|3.310591|4.232842|2.765517|2.420642|2.271723|3.550292|3.405967|19.221315|36.858105|
|5.811358|6.807383|0.208384|4.532461|3.682926|2.952824|2.759142|3.057755|3.900762|2.627225|2.272975|2.115531|3.324855|3.131314|11.567892|15.856780|73.516695|
|4.202591|4.988879|0.130253|3.971672|3.572093|2.940903|2.683506|2.831058|3.394005|2.424671|2.204634|2.089096|3.314226|3.098221|10.695748|12.467186|14.130244|36.858105|
|3.829603|4.748788|0.122950|4.074050|3.716686|3.117704|2.861584|3.004419|3.545965|2.567401|2.367565|2.235819|3.535664|3.306409|10.029488|8.905964|10.724173|17.575216|0.500000|
|3.979096|4.245876|0.106398|3.484258|3.341447|2.770010|2.461696|2.508696|2.920853|2.148970|1.981376|1.925338|3.091063|2.883333|8.236458|7.538798|10.221024|12.385656|0.242539|36.858105|
|3.451010|3.507437|0.092161|2.876322|2.726523|2.313556|2.099627|2.159394|2.490405|1.895521|1.747529|1.691859|2.741992|2.500350|6.124255|5.820514|9.451349|7.873564|0.160176|12.564382|36.858105|
|3.153660|3.067483|0.080368|2.566703|2.481681|2.130971|1.928216|1.961921|2.230809|1.732560|1.605364|1.569149|2.561884|2.320275|5.059812|4.461125|7.549518|5.341484|0.119522|7.913528|15.944845|73.516695|
|3.214239|3.385990|0.092948|2.773089|2.553859|2.190603|2.034691|2.134433|2.471933|1.902334|1.747949|1.666204|2.698286|2.429956|5.829394|5.906267|10.333661|8.054605|0.163015|8.169865|13.960972|14.765755|53.358707|
|3.370524|3.817862|0.106393|3.130854|2.813282|2.406203|2.259112|2.406710|2.821832|2.138920|1.958888|1.840433|2.954937|2.672978|6.930787|7.515153|12.144130|12.420864|0.244001|7.920271|8.091026|9.649997|17.791565|36.858105|
|2.730344|2.816590|0.079081|2.356713|2.174595|1.901265|1.790364|1.883289|2.151527|1.710888|1.577875|1.501462|2.450388|2.167376|4.546866|4.320040|8.133533|5.130237|0.116165|5.140874|7.728659|11.644929|18.374370|7.609089|36.858105|
|2.601095|2.578550|0.072112|2.166149|2.019326|1.771869|1.663483|1.738730|1.973504|1.583828|1.460119|1.399946|2.295410|2.024581|4.009855|3.645731|7.003340|4.021224|0.093112|4.290045|6.377275|11.699358|10.583556|5.076662|13.645396|36.858105|
|2.234178|2.213664|0.062547|1.897983|1.773757|1.579380|1.498077|1.567471|1.758841|1.447369|1.340537|1.283854|2.117454|1.841963|3.348363|2.945074|5.682006|3.168220|0.076435|3.284118|4.381543|8.104645|7.000515|3.905087|7.927772|13.809852|36.858105|
|2.040080|2.064219|0.058920|1.794221|1.670145|1.501572|1.439433|1.513660|1.688441|1.412461|1.314140|1.250775|2.067350|1.779473|3.114420|2.723493|5.229938|2.951701|0.072998|2.939228|3.712496|6.534927|6.164532|3.731528|6.814967|7.902371|13.731088|36.858105|
|2.102337|2.181518|0.062577|1.898570|1.755165|1.578012|1.519278|1.606186|1.796152|1.500272|1.397761|1.321389|2.178024|1.873960|3.348190|2.974556|5.659869|3.317147|0.082622|3.175827|3.936810|6.537074|7.023784|4.461236|7.913040|6.889996|8.003383|13.810558|36.858105|
|2.399454|2.529616|0.072196|2.168475|1.993311|1.771110|1.693813|1.793288|2.028080|1.655038|1.536160|1.450037|2.374745|2.068670|4.014251|3.708098|6.969008|4.353663|0.105366|4.066359|5.210239|8.045037|10.732765|6.572518|13.744245|7.948014|6.912216|7.917396|13.722224|36.858105|
|1.874787|1.968552|0.056838|1.747513|1.616147|1.472027|1.433440|1.519923|1.681710|1.438862|1.349851|1.269625|2.101352|1.783139|2.982458|2.584772|4.867697|2.849831|0.073610|2.669533|3.109697|5.151647|5.294598|3.696314|5.055563|4.464517|5.052672|7.597747|12.675870|7.670067|36.858105|
|1.685977|1.748312|0.050285|1.566946|1.460923|1.340063|1.306214|1.378006|1.511650|1.311206|1.235370|1.167441|1.942624|1.636326|2.609904|2.215214|4.159795|2.404741|0.062554|2.305915|2.667991|4.556316|4.326128|2.976235|4.014191|3.852000|4.627494|6.964656|8.113626|5.291372|14.408607|97.533100|
|1.815456|1.930156|0.055316|1.734984|1.614408|1.479170|1.442011|1.523127|1.673952|1.443577|1.366226|1.285170|2.130742|1.800181|2.957133|2.539399|4.650308|2.880281|0.076238|2.686776|3.051078|4.994444|5.136524|3.730671|4.586837|3.875477|4.094863|5.413942|8.126666|6.786970|14.364520|20.097593|97.533100|
|1.904666|2.017790|0.059194|1.790779|1.636592|1.492301|1.466526|1.571684|1.744131|1.499333|1.399062|1.304274|2.153964|1.822430|3.018889|2.614152|5.014863|2.797163|0.072647|2.538420|2.873940|4.695410|4.886642|3.588184|4.421386|3.894780|4.255183|5.776972|8.126962|6.247679|14.364911|20.133765|20.177914|97.533100|
|17.596479|8.849075|0.217471|5.483036|4.623594|3.487791|3.092387|3.305767|4.228902|2.726159|2.313568|2.237223|3.506456|3.441004|9.549868|6.424932|12.335252|4.436477|0.106976|4.248503|3.858161|6.285362|4.902160|3.662030|3.067355|2.960407|2.509990|2.256678|2.305488|2.639345|2.023400|4.081877|4.353893|4.619771|0.500000|
|17.560051|8.817678|0.213936|6.838467|5.677378|4.237993|3.758373|4.039088|5.223061|3.230569|2.649501|2.588965|4.002050|4.073182|7.607153|4.584470|8.298621|3.428681|0.088708|3.245817|2.905872|4.809461|3.751690|2.877529|2.413913|2.328580|2.043240|1.880259|1.925820|2.158879|1.737380|3.546465|3.775140|3.997697|0.300707|0.500000|
|17.562914|8.753994|0.173962|6.699650|6.593512|4.551073|3.697277|3.705974|4.602788|2.910541|2.502513|2.506235|3.905400|4.015593|9.406974|5.285169|8.619823|4.056175|0.103934|4.099193|3.474269|5.758166|4.235983|3.200031|2.626878|2.521436|2.160547|1.961362|2.011230|2.292743|1.790766|3.642856|3.927351|4.044899|0.301051|0.300950|0.500000|
|6.508909|6.906468|0.139863|8.883818|17.709437|8.986913|5.663435|4.946064|5.662250|3.553950|3.146354|3.300132|5.012822|5.712967|8.410770|4.354671|6.579450|3.712884|0.105288|3.656387|2.938320|4.804684|3.636290|2.877358|2.254265|2.109305|1.837558|1.711690|1.786941|2.034925|1.629490|3.319809|3.657485|3.677714|0.136703|0.157954|0.224444|0.500000|
|3.734947|4.072457|0.096354|5.624605|8.918431|17.705328|8.913411|5.633143|4.974309|4.119647|3.979271|4.776278|7.152998|9.778069|5.083418|2.957988|4.667341|2.691374|0.079151|2.611572|2.192736|3.637213|2.795833|2.223454|1.791873|1.681218|1.503545|1.427348|1.493273|1.667946|1.393879|2.870337|3.159357|3.159578|0.086206|0.101758|0.113345|0.217130|0.500000|
|4.884614|7.035053|0.229979|8.929100|5.672259|4.973447|5.669377|8.978681|17.694241|6.933636|4.653347|3.879655|5.557146|5.729030|7.178544|4.300371|7.372887|3.388436|0.097063|2.843311|2.477637|3.925116|3.426252|2.902109|2.213913|2.022886|1.811580|1.750630|1.870365|2.107202|1.759323|3.545498|3.920628|4.154333|0.116108|0.137585|0.114997|0.124209|0.107855|0.500000|
|2.998828|3.462493|0.098779|4.429005|4.024420|4.533954|6.449998|8.927796|6.198300|17.504394|8.858300|6.687379|8.976445|8.362019|3.990172|2.532247|4.353433|2.212235|0.064022|1.989335|1.778129|2.916776|2.423101|1.971940|1.615716|1.511222|1.388367|1.352057|1.425370|1.560091|1.366614|2.818151|3.067358|3.206120|0.073203|0.089022|0.077810|0.091517|0.105816|0.164769|0.500000|
|3.046972|3.748213|0.110825|4.676582|3.963334|4.201770|5.662595|8.870753|7.068299|17.578072|8.830137|5.507423|7.563374|6.816596|4.457136|2.858197|4.889929|2.496532|0.073433|2.170067|1.928055|3.112224|2.673221|2.233140|1.773560|1.631760|1.494637|1.467841|1.568348|1.730368|1.512085|3.088648|3.411925|3.575102|0.075580|0.087086|0.077645|0.090147|0.096817|0.213473|0.303468|0.500000|
|2.309843|2.663017|0.074732|3.256412|3.141981|3.654028|4.960204|5.521305|4.101271|8.732091|17.618557|9.033124|13.345443|7.890686|3.325860|2.166578|3.666502|1.988219|0.058896|1.795013|1.604822|2.634246|2.196546|1.797600|1.472364|1.367913|1.265403|1.245977|1.323108|1.442714|1.286040|2.660184|2.927197|3.008158|0.057934|0.065784|0.061613|0.074482|0.091428|0.109342|0.215131|0.206901|0.500000|
|2.555821|3.067172|0.084626|3.864850|3.741642|4.400739|6.105228|6.770809|4.905303|8.822922|17.513365|9.051004|11.738577|9.009055|3.937597|2.518292|4.150646|2.330900|0.070749|2.074054|1.815290|2.944455|2.481131|2.067362|1.637833|1.502337|1.376267|1.354330|1.450668|1.602192|1.405017|2.881798|3.222015|3.273601|0.063632|0.070817|0.068522|0.086964|0.107405|0.125757|0.173636|0.215521|0.302393|0.500000|
|2.758342|3.039173|0.077851|3.998533|4.771203|7.266895|9.172030|5.775352|4.274925|5.058384|5.727211|9.497939|14.001051|26.008809|3.780176|2.332272|3.808734|2.148526|0.063440|2.037862|1.771216|2.946570|2.322733|1.856677|1.525201|1.432680|1.305072|1.257475|1.318558|1.451473|1.252913|2.596956|2.847530|2.866478|0.066381|0.078025|0.078704|0.113120|0.217292|0.098238|0.132891|0.110297|0.129554|0.141947|0.500000|
|6.101475|8.979932|0.185401|7.558210|6.732616|4.819822|4.083097|4.228767|5.394347|3.272661|2.897971|2.787723|4.271715|4.357600|26.083635|9.390329|10.875826|7.532654|0.226221|6.137461|4.298116|6.364325|5.435290|4.762125|3.114984|2.739772|2.304032|2.157016|2.326778|2.782149|2.091916|4.135875|4.736714|4.722852|0.150153|0.131105|0.169427|0.192897|0.115654|0.134817|0.080951|0.090292|0.069705|0.084727|0.082729|0.500000|
|4.645236|4.700250|0.112410|3.804436|3.742199|3.021196|2.613663|2.625620|3.071071|2.210808|2.025931|1.993104|3.191355|3.031934|8.973212|7.245870|9.889279|8.579360|0.188262|17.616892|8.888968|12.689757|8.186282|5.726684|4.253899|3.815799|2.989779|2.646306|2.782032|3.414268|2.364844|4.681639|5.295124|5.108232|0.136959|0.102206|0.139767|0.118618|0.079481|0.081465|0.057184|0.061230|0.050734|0.058338|0.059874|0.185951|0.500000|
|3.372932|3.621215|0.090979|3.151898|3.116834|2.659840|2.365706|2.373152|2.691496|2.049090|1.924774|1.884463|3.047582|2.812188|6.709348|5.577269|7.860047|8.724412|0.222504|17.551508|8.999013|12.049485|8.873144|6.504085|4.514988|3.801074|3.012221|2.748482|2.985498|3.758013|2.560734|5.016677|5.937924|5.413807|0.096978|0.078611|0.098106|0.094665|0.070837|0.072120|0.052528|0.057217|0.048517|0.056387|0.055606|0.148514|0.302417|0.500000|
|2.897378|3.292262|0.091398|2.832363|2.591969|2.269694|2.149286|2.273939|2.605519|2.046907|1.906593|1.790875|2.893316|2.577705|5.806321|5.597072|8.936731|8.805233|0.226810|6.491548|6.427486|8.339475|12.319546|17.542102|6.544711|4.462106|3.613027|3.598030|4.453254|6.507530|3.853271|6.911044|9.270055|8.269182|0.085237|0.070061|0.077505|0.073197|0.058756|0.074093|0.052201|0.059425|0.048797|0.056427|0.049849|0.116589|0.133368|0.171592|0.500000|
|3.386391|3.883874|0.113649|3.146342|2.747741|2.357207|2.252056|2.449498|2.903154|2.202559|1.993130|1.847395|2.958118|2.661373|6.707153|7.355072|13.839009|8.733824|0.191183|5.772308|6.007299|7.942650|12.403621|17.657540|7.004703|4.859214|3.893408|3.820560|4.638816|6.656005|3.914559|6.978560|8.632866|8.993311|0.103216|0.081505|0.086567|0.076566|0.059894|0.085225|0.056536|0.064780|0.051039|0.058224|0.050967|0.122702|0.129707|0.134016|0.300012|0.500000|
|2.783492|2.682825|0.073923|2.236338|2.102331|1.831334|1.701489|1.766088|2.008317|1.595433|1.467372|1.417021|2.322061|2.064571|4.152068|3.722468|7.098192|4.012265|0.091958|4.542338|6.977259|14.627845|9.670428|4.670934|8.903210|17.821718|8.952280|5.641608|4.968995|5.657853|3.570170|7.157646|7.195440|7.228367|0.089176|0.068780|0.075852|0.061767|0.048431|0.056692|0.042422|0.045334|0.038079|0.041756|0.040732|0.078594|0.116604|0.109758|0.111916|0.121545|0.500000|
|2.123689|2.068430|0.058241|1.784871|1.679387|1.501110|1.422323|1.481841|1.654103|1.370909|1.270879|1.222907|2.023267|1.755722|3.075147|2.644294|5.093130|2.783665|0.067849|2.930853|3.801120|7.318777|5.676156|3.273116|5.648970|8.979461|17.726386|8.925576|5.676985|4.973066|4.107312|9.000462|7.677336|8.043889|0.066273|0.054452|0.057357|0.048474|0.039865|0.047173|0.036735|0.039168|0.033401|0.036076|0.034674|0.058889|0.076132|0.075130|0.084324|0.090536|0.216874|0.500000|
|1.849133|1.863872|0.053291|1.639055|1.531420|1.388047|1.336750|1.404035|1.554180|1.319858|1.232144|1.173778|1.948070|1.663168|2.770448|2.373862|4.544572|2.534344|0.063746|2.523185|3.080426|5.490190|4.911915|3.097821|4.925065|5.633192|8.891341|17.759658|8.917076|5.635008|6.996887|17.690886|11.188600|12.324997|0.056422|0.047849|0.049451|0.043476|0.036756|0.044783|0.035235|0.038091|0.032603|0.035195|0.032699|0.053526|0.064099|0.066257|0.083988|0.088529|0.124180|0.214652|0.500000|
|2.384765|2.581082|0.073905|2.236217|2.047143|1.826767|1.757781|1.868809|2.110254|1.729839|1.611706|1.511713|2.471700|2.147051|4.148416|3.828449|7.008709|4.641661|0.116286|4.088233|4.842001|7.206958|9.806490|7.387447|8.897327|5.642029|4.976559|5.657578|8.960815|17.767044|7.187399|10.944483|16.824853|14.189356|0.071710|0.059564|0.063154|0.057561|0.047633|0.061082|0.044955|0.050511|0.042007|0.047060|0.041689|0.080720|0.093810|0.107057|0.230146|0.210764|0.124071|0.107936|0.124417|0.500000|
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