Version2.3
2021-03-31T20:04:55Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
01-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1ccc2c(c1)[C@]3([C@H]4[C@@H]([C@@H](N3)CCC(=O)N)C(=O)N(C4=O)c5ccc(c(c5)Cl)Cl)C(=O)N2 C16010138
RHF
6-31G(d)
(6D,7F)
c1ccc2c(c1)[C@]3([C@H]4[C@@H]([C@@H](N3)CCC(=O)N)C(=O)N(C4=O)c5ccc(c(c5)Cl)Cl)C(=O)N2
C01[X(C22H18Cl2N4O4)]
144
C1
524
NC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)Cl)C(=O)Nc1c2cccc1
NC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)Cl)C(=O)Nc1c2cccc1
NC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c4ccc(Cl)c(Cl)c4)C(=O)Nc5ccccc25
InChIKey=YSIZNFPCELLMEC-PBWVOLNLSA-N
InChI=1S/C22H18Cl2N4O4/c23-12-6-5-10(9-13(12)24)28-19(30)17-15(7-8-16(25)29)27-22(18(17)20(28)31)11-3-1-2-4-14(11)26-21(22)32/h1-6,9,15,17-18,27H,7-8H2,(H2,25,29)(H,26,32)/t15-,17+,18-,22-/m0/s1
InChI=1/C22H18Cl2N4O4/c23-12-6-5-10(9-13(12)24)28-19(30)17-15(7-8-16(25)29)27-22(18(17)20(28)31)11-3-1-2-4-14(11)26-21(22)32/h1-6,9,15,17-18,27H,7-8H2,(H2,25,29)(H,26,32)/t15-,17+,18-,22-/m0/s1/f/h26H,25H2
c1ccc2c(c1)[C@]3([C@H]4[C@@H]([C@@H](N3)CCC(=O)N)C(=O)N(C4=O)c5ccc(c(c5)Cl)Cl)C(=O)N2
C01[X(C22H18Cl2N4O4)]
144
C01
524
NC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)Cl)C(=O)Nc1c2cccc1
NC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)[C]1[CH][CH][C]([C]([CH]1)Cl)Cl)C(=O)N[C]1[C]2[CH][CH][CH][CH]1
NC(=O)CC[C@@H]1N[C@@]2([C]3[CH][CH][CH][CH][C]3NC2=O)[C@H]4[C@@H]1C(=O)N([C]5[CH][CH][C](Cl)[C](Cl)[CH]5)C4=O
InChIKey=YSIZNFPCELLMEC-PBWVOLNLSA-N
InChI=1S/C22H18Cl2N4O4/c23-12-6-5-10(9-13(12)24)28-19(30)17-15(7-8-16(25)29)27-22(18(17)20(28)31)11-3-1-2-4-14(11)26-21(22)32/h1-6,9,15,17-18,27H,7-8H2,(H2,25,29)(H,26,32)/t15-,17+,18-,22-/m0/s1
InChI=1/C22H18Cl2N4O4/c23-12-6-5-10(9-13(12)24)28-19(30)17-15(7-8-16(25)29)27-22(18(17)20(28)31)11-3-1-2-4-14(11)26-21(22)32/h1-6,9,15,17-18,27H,7-8H2,(H2,25,29)(H,26,32)/t15-,17+,18-,22-/m0/s1/f/h26H,25H2
3514.4990346477
-2279.8727351
1-A
18387.0417
122
402
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|A|A|A|A|A|A|
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11.52366
-7.0825 -3.9721 1.3372
8.2296
|XX|YY|ZZ|XY|XZ|YZ|
-206.9690 -215.7662 -184.1515 27.4059 -0.3543 5.0090
|XX|YY|ZZ|XY|XZ|YZ|
-4.6734 -13.4706 18.1440 27.4059 -0.3543 5.0090
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-178.8963 -128.8642 6.6830 48.0946 -142.0633 10.8874 -10.8804 18.4864 130.8855 -18.1782
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-16797.9308 -7067.5701 -1489.0264 622.0838 135.7562 920.7717 294.9924 -24.6910 -15.8117 -4073.9772 -2870.6298 -1176.3122 -11.0343 -245.4646 -19.4764
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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
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17.5876 18.7312 22.2079 31.5135 34.6400 43.6472 56.3472 65.3363 74.0708 95.9751 114.0398 124.6349 148.4089 166.2562 171.0551 190.5653 202.0336 217.7224 236.2831 247.0746 265.9939 280.9300 301.0310 323.6550 338.3189 349.2086 373.8567 391.7813 417.4315 442.1136 452.2103 474.1176 483.7389 492.5554 499.7149 522.9521 528.0294 551.2574 581.9792 591.0851 606.0285 609.9078 626.6442 645.1447 661.5766 688.9691 692.6187 695.7666 726.6891 742.8507 765.5046 780.2027 786.7604 800.4062 829.5701 838.0110 844.8225 850.2813 865.2631 880.4643 932.0011 938.0721 951.7894 958.0948 972.4580 979.5736 995.9107 1011.3855 1034.1176 1051.4384 1069.2609 1079.6891 1100.1627 1108.1172 1114.2831 1121.6300 1130.4267 1137.8365 1149.4813 1180.7253 1187.5135 1207.7057 1211.9458 1223.0891 1227.2215 1256.2787 1258.4349 1274.4093 1281.1293 1296.6928 1317.3941 1323.4555 1333.1112 1356.6497 1364.1926 1382.7472 1391.8877 1399.2195 1404.4114 1410.3807 1431.2398 1437.9597 1454.4300 1473.7104 1496.0081 1519.3380 1538.0926 1549.4774 1552.4240 1565.0953 1569.8909 1616.7491 1626.1031 1642.7425 1645.7469 1657.5032 1658.3876 1764.7904 1796.8376 1802.1330 1803.6028 1824.0322 1981.5961 1993.9883 2016.7936 2062.8354 3137.9581 3219.6664 3242.3726 3257.9710 3275.3159 3310.1338 3311.7256 3364.2285 3371.5153 3383.1122 3395.1720 3403.9979 3421.6618 3422.2817 3794.5974 3831.2361 3888.3279 3957.7167
5.5822 9.7703 10.1079 6.7081 8.2715 4.9498 9.1338 4.2016 7.6573 5.1340 5.8301 5.5424 6.4034 5.7278 12.8621 5.1979 5.1363 17.0003 8.5163 4.8289 7.6744 5.5849 9.4124 8.6842 1.2273 4.8052 4.9884 6.1924 4.1686 4.7997 3.2707 6.0768 1.7213 3.2046 3.1560 5.3205 6.2219 2.1592 5.4996 1.9228 3.6920 1.8003 3.6454 5.6849 4.3877 6.8445 5.1923 4.7952 6.5114 6.8385 5.8707 3.9088 3.3993 4.3450 4.0149 3.5996 2.4943 1.4172 2.3196 5.3320 3.5259 2.6600 1.5683 4.1726 4.3099 1.4531 2.5426 1.8403 3.5019 3.5231 1.4275 2.0027 3.6276 1.3739 1.3225 2.4330 2.4972 5.3516 2.4596 2.3024 3.4666 3.7748 2.3691 2.6792 2.1018 2.0066 2.3097 3.6641 1.9559 2.5376 2.3084 1.7479 1.7396 1.8860 3.4020 1.5470 1.6235 1.5142 1.4340 1.8020 1.3008 1.6702 1.7812 2.8355 1.7826 1.7726 1.5596 2.9237 1.8261 4.4530 1.5310 1.3590 1.1887 2.7681 1.1347 2.9099 2.5197 7.4507 5.9655 1.2610 4.9557 6.2264 9.0020 12.5690 11.0737 12.5789 1.0832 1.0648 1.0666 1.0865 1.1014 1.0880 1.1008 1.0876 1.0912 1.0948 1.0983 1.0917 1.0941 1.0971 1.0758 1.0474 1.0804 1.1049
0.0010 0.0020 0.0029 0.0039 0.0058 0.0056 0.0171 0.0106 0.0248 0.0279 0.0447 0.0507 0.0831 0.0933 0.2217 0.1112 0.1235 0.4748 0.2801 0.1737 0.3199 0.2597 0.5025 0.5360 0.0828 0.3452 0.4108 0.5600 0.4280 0.5528 0.3941 0.8048 0.2373 0.4581 0.4643 0.8573 1.0221 0.3866 1.0975 0.3958 0.7989 0.3946 0.8434 1.3941 1.1315 1.9142 1.4676 1.3677 2.0259 2.2234 2.0269 1.4019 1.2397 1.6401 1.6279 1.4894 1.0489 0.6037 1.0232 2.4354 1.8045 1.3791 0.8371 2.2567 2.4014 0.8215 1.4858 1.1091 2.2065 2.2948 0.9616 1.3755 2.5869 0.9940 0.9675 1.8034 1.8801 4.0822 1.9148 1.8912 2.8803 3.2439 2.0502 2.3614 1.8650 1.8658 2.1551 3.5062 1.8914 2.5139 2.3604 1.8038 1.8215 2.0452 3.7302 1.7427 1.8531 1.7466 1.6664 2.1119 1.5700 2.0347 2.2200 3.6283 2.3506 2.4109 2.1739 4.1357 2.5930 6.4266 2.2231 2.0929 1.8518 4.4013 1.8107 4.7102 4.0830 13.6720 11.3479 2.4128 9.4982 12.2053 20.8267 29.4440 26.5377 31.5372 6.2841 6.5033 6.6065 6.7946 6.9617 7.0240 7.1133 7.2525 7.3078 7.3830 7.4589 7.4530 7.5472 7.5703 9.1266 9.0579 9.6244 10.1970
12.4625 0.0656 0.9602 2.8806 2.7990 0.9997 0.7026 2.8984 2.0075 0.7628 0.4339 2.3610 1.9340 0.5437 2.3761 1.7952 2.5004 0.4198 1.0680 1.8521 3.8425 2.4715 10.9302 2.3228 285.6262 4.5011 2.4040 1.0647 2.1781 13.8959 3.6291 24.7192 31.0584 9.3527 2.3994 18.9958 23.1019 106.5549 42.7386 52.3887 13.9988 6.9637 2.9267 11.1339 16.1543 6.5490 17.4051 2.0885 17.2094 16.0152 6.7674 8.4017 3.7024 24.6153 14.5891 1.9485 3.9895 62.9400 44.6015 21.1576 23.2754 36.7890 9.6831 13.2447 7.7659 5.7811 6.3378 2.8673 23.5396 9.2888 1.5469 0.1542 5.9203 1.1822 0.2624 7.8116 20.8341 34.9115 20.6170 6.9781 9.8848 12.5177 32.3233 9.3213 17.1678 15.3779 24.2904 46.1439 7.9045 84.7980 28.1148 33.9834 33.8370 68.1884 197.9264 33.6865 30.8252 13.5769 5.2451 2.9462 49.1184 3.5637 59.4426 74.5959 103.1440 64.0094 93.0763 71.4280 62.1101 259.7810 24.5154 32.6357 8.8821 119.1469 14.6888 273.7282 42.2712 9.9710 9.7056 115.9924 35.9158 112.4931 465.6438 814.7376 561.6692 51.3694 54.5221 16.3443 15.7161 9.4876 9.9877 4.2572 20.4524 2.7431 7.6515 24.3591 21.8306 2.4598 1.1702 2.9759 5.9618 51.5567 92.0078 52.3367
1.3290 3.6285 1.4954 1.0814 0.8399 3.5104 0.6689 4.5804 1.7040 0.8695 1.9546 0.2931 1.9795 2.5918 0.5051 1.0835 1.7486 1.0385 1.0358 2.3052 1.2714 0.2452 1.1122 0.5662 0.7968 1.5269 0.9492 2.0257 3.1635 2.3998 1.2018 4.7419 0.8939 1.7316 0.1047 3.9040 12.1810 1.0173 4.8733 1.4468 0.6248 1.7478 1.5650 4.8424 2.0909 4.9426 2.9537 2.3607 2.7486 17.3401 3.2913 6.2921 2.1579 0.8234 0.6105 1.4445 1.7870 0.5301 1.6391 7.4895 3.0301 2.7758 1.1843 4.3162 2.1387 2.2822 2.8866 3.3804 2.0618 6.9370 0.9024 4.3106 7.9613 0.2354 0.2860 17.0578 10.9534 11.5450 2.9477 4.1295 3.4179 2.0741 10.1979 9.3871 1.5342 2.2282 8.7993 9.5390 1.0431 4.6938 6.7631 16.3030 15.7733 12.0440 2.4143 3.0062 1.5609 0.5977 5.5840 3.3876 6.0757 4.7156 7.5777 1.9757 1.5211 4.5472 9.4427 11.7852 9.3895 12.5990 7.7536 13.1536 5.6625 10.0722 3.2500 4.8589 0.5583 11.4598 19.0732 9.5842 74.4787 23.0037 5.8008 1.1179 21.6112 22.8869 46.4893 63.3265 31.9670 71.8092 58.6874 62.2446 10.0699 29.6255 96.6999 73.9496 287.1269 60.6918 40.1050 118.9529 64.8576 94.0431 98.2408 45.6794
0.7495 0.7470 0.7469 0.7491 0.7486 0.7498 0.7499 0.7498 0.7497 0.7492 0.5895 0.6316 0.7387 0.3022 0.6756 0.2146 0.7435 0.5699 0.4872 0.7172 0.3243 0.5397 0.6326 0.7436 0.4989 0.2656 0.7299 0.7486 0.2095 0.6781 0.7430 0.3028 0.7180 0.5345 0.7086 0.6604 0.2767 0.4404 0.3126 0.5661 0.4746 0.7150 0.2198 0.4420 0.5154 0.0666 0.2022 0.7478 0.6727 0.1189 0.2077 0.0921 0.2747 0.7280 0.5663 0.6829 0.1261 0.5266 0.1475 0.1173 0.6336 0.1331 0.5590 0.3631 0.7476 0.6137 0.1920 0.6666 0.4229 0.0277 0.7497 0.6680 0.1627 0.5567 0.3816 0.3229 0.0452 0.1465 0.6229 0.3211 0.7460 0.2560 0.7453 0.6193 0.6177 0.7484 0.2113 0.5686 0.3533 0.6001 0.3364 0.1442 0.1633 0.1915 0.3899 0.7493 0.6602 0.7017 0.6966 0.4011 0.7431 0.2635 0.2047 0.7094 0.7475 0.3927 0.6092 0.3688 0.2744 0.4576 0.7356 0.7346 0.4246 0.3271 0.5410 0.3983 0.7109 0.4193 0.6705 0.6854 0.5265 0.7465 0.4460 0.2968 0.4291 0.3250 0.3017 0.1012 0.1725 0.2658 0.5370 0.2326 0.7006 0.7028 0.6807 0.6326 0.1263 0.5798 0.3329 0.1432 0.2818 0.1642 0.2153 0.7052
0.8568 0.8552 0.8551 0.8565 0.8562 0.8570 0.8571 0.8570 0.8570 0.8566 0.7417 0.7742 0.8497 0.4641 0.8064 0.3534 0.8529 0.7261 0.6552 0.8353 0.4897 0.7010 0.7749 0.8530 0.6657 0.4198 0.8439 0.8562 0.3464 0.8082 0.8525 0.4648 0.8359 0.6966 0.8295 0.7955 0.4335 0.6115 0.4763 0.7229 0.6437 0.8338 0.3604 0.6131 0.6803 0.1248 0.3363 0.8557 0.8043 0.2125 0.3439 0.1686 0.4311 0.8426 0.7231 0.8115 0.2240 0.6899 0.2570 0.2100 0.7757 0.2349 0.7172 0.5328 0.8556 0.7606 0.3222 0.7999 0.5944 0.0539 0.8570 0.8010 0.2798 0.7152 0.5524 0.4882 0.0864 0.2555 0.7676 0.4862 0.8545 0.4077 0.8540 0.7649 0.7636 0.8561 0.3489 0.7249 0.5221 0.7501 0.5034 0.2520 0.2808 0.3215 0.5611 0.8567 0.7953 0.8247 0.8212 0.5725 0.8526 0.4171 0.3398 0.8300 0.8555 0.5640 0.7571 0.5389 0.4307 0.6279 0.8477 0.8470 0.5961 0.4930 0.7021 0.5696 0.8310 0.5908 0.8028 0.8134 0.6898 0.8548 0.6169 0.4578 0.6005 0.4906 0.4635 0.1839 0.2942 0.4200 0.6988 0.3775 0.8239 0.8254 0.8100 0.7750 0.2242 0.7340 0.4995 0.2505 0.4397 0.2821 0.3543 0.8271
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
6 6 6 6 6 6 6 6 1 6 1 6 1 7 6 6 6 8 7 6 8 7 6 8 6 6 6 6 6 6 17 17 6 8 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 34.96885 12.00000 15.99491 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
11181.3470 25411.5417 32646.1446
1.00000 0.00148 0.00263 -0.00150 0.99998 0.00651 -0.00262 -0.00652 0.99998
1
0.00775 0.00341 0.00265
0.16141 0.07102 0.05528
25.30 26.95 31.95 45.34 49.84 62.80 81.07 94.00 106.57 138.09 164.08 179.32 213.53 239.21 246.11 274.18 290.68 313.25 339.96 355.49 382.71 404.20 433.12 465.67 486.77 502.43 537.90 563.69 600.59 636.10 650.63 682.15 695.99 708.68 718.98 752.41 759.72 793.14 837.34 850.44 871.94 877.52 901.60 928.22 951.86 991.27 996.52 1001.05 1045.54 1068.80 1101.39 1122.54 1131.97 1151.61 1193.57 1205.71 1215.51 1223.37 1244.92 1266.79 1340.94 1349.68 1369.41 1378.48 1399.15 1409.39 1432.89 1455.16 1487.86 1512.79 1538.43 1553.43 1582.89 1594.33 1603.20 1613.78 1626.43 1637.09 1653.85 1698.80 1708.57 1737.62 1743.72 1759.75 1765.70 1807.50 1810.61 1833.59 1843.26 1865.65 1895.44 1904.16 1918.05 1951.92 1962.77 1989.46 2002.62 2013.16 2020.63 2029.22 2059.23 2068.90 2092.60 2120.34 2152.42 2185.99 2212.97 2229.35 2233.59 2251.82 2258.72 2326.14 2339.60 2363.54 2367.86 2384.78 2386.05 2539.14 2585.25 2592.87 2594.98 2624.38 2851.07 2868.90 2901.72 2967.96 4514.82 4632.38 4665.05 4687.49 4712.45 4762.54 4764.83 4840.37 4850.86 4867.54 4884.90 4897.59 4923.01 4923.90 5459.58 5512.29 5594.44 5694.27
0.406590
0.432530
0.433475
0.345853
-2279.466145
-2279.440205
-2279.439260
-2279.526882
2.938856D-04
MUNgauss
RevisionA2.1
retrievium
31-Mar-2021
DUDE c1ccc2c(c1)[C@]3([C@H]4[C@@H]([C@@H](N3)CCC(=O)N)C(=O)N(C4=O)c5ccc(c(c5)Cl)Cl)C(=O)N2 C16010138
RHF
6-31G(d)
(6D,10F)
C1
472.070511
|X|Y|Z|
110.140916 71.041239 34.772300
64.798389
22
|36.858105|
|13.766328|36.858105|
|7.879563|13.695082|36.858105|
|6.936386|8.045855|13.834274|36.858105|
|7.964018|6.894590|7.861396|13.694382|36.858105|
|13.681249|7.918796|6.795424|7.963557|13.822331|36.858105|
|4.923023|4.467960|5.157726|8.032930|12.509914|7.196476|36.858105|
|4.150448|3.675540|3.988724|5.365449|7.370737|5.766890|12.161022|36.858105|
|4.622747|3.971645|4.149576|5.337075|7.400952|6.444922|8.718597|17.648426|0.500000|
|3.520920|3.060441|3.193796|4.019987|5.321674|4.729733|7.725251|12.406931|0.239382|36.858105|
|3.370507|2.878047|2.909651|3.508796|4.560810|4.409102|5.718035|8.668202|0.218885|17.570929|0.500000|
|3.801839|3.248968|3.353735|4.219080|5.751811|5.216644|7.987215|7.810876|0.170624|12.418660|0.243213|36.858105|
|4.331837|3.507109|3.458619|4.211789|5.966814|6.138839|6.894281|6.722506|0.168351|8.988797|0.226634|17.443715|0.500000|
|4.144622|3.703604|4.060762|5.526915|7.519624|5.728270|13.085238|8.039685|0.166629|8.234257|0.162743|13.095216|0.250024|53.358707|
|3.013683|2.651921|2.722258|3.260910|4.035029|3.793669|5.081774|4.979453|0.116082|7.295105|0.172948|12.482749|0.248827|10.452599|36.858105|
|2.978855|2.635993|2.670195|3.104059|3.723765|3.612723|4.280864|3.854732|0.094387|4.814974|0.120400|7.491003|0.193609|8.480447|12.390511|36.858105|
|2.427473|2.188294|2.206774|2.493019|2.872366|2.820945|3.224992|3.035707|0.076001|3.725344|0.097495|4.920802|0.129922|5.773674|7.583435|12.551462|36.858105|
|2.291983|2.050833|2.033663|2.257325|2.596688|2.622619|2.835775|2.741781|0.070363|3.346359|0.091315|4.205341|0.117146|4.828958|5.902352|8.006062|15.898624|73.516695|
|2.176871|2.011123|2.063455|2.327530|2.602287|2.492344|2.954420|2.763244|0.068624|3.291182|0.084670|4.109888|0.104396|5.190259|5.889423|7.826724|14.042616|15.113075|53.358707|
|2.807506|2.554246|2.723427|3.357138|4.027516|3.519195|5.682996|7.903444|0.162742|12.500700|0.251236|7.309840|0.152469|8.338711|6.206599|4.182656|3.492045|5.532919|4.444297|36.858105|
|2.447376|2.239167|2.362563|2.828883|3.302994|2.978900|4.352032|5.339905|0.120685|7.839048|0.190643|6.032017|0.131014|6.761342|6.273941|4.212762|3.729926|5.923807|4.841292|16.052175|73.516695|
|2.754866|2.578238|2.819805|3.502927|4.011377|3.384177|5.639274|8.110669|0.168817|8.079863|0.178349|5.330333|0.120252|7.146468|4.434047|3.344579|2.845970|4.554772|3.715123|13.749105|14.848881|53.358707|
|3.259606|3.061800|3.412983|4.397865|5.086806|4.086665|7.332439|12.547097|0.250124|7.877052|0.173972|5.302428|0.125523|7.660461|4.037685|3.187871|2.650197|4.268877|3.409578|8.231594|9.834851|18.737296|36.858105|
|3.118448|3.031696|3.441007|4.318443|4.603753|3.731638|5.843521|7.884882|0.198797|5.346365|0.129183|4.061253|0.101018|6.023142|3.244291|2.693305|2.288805|3.725037|2.978039|5.529085|7.492068|11.331253|16.074957|73.516695|
|2.314195|2.216160|2.430298|2.919126|3.168293|2.728077|4.118739|5.118416|0.118894|5.098513|0.123962|3.906156|0.091717|5.354669|3.545469|2.816660|2.504270|4.039717|3.369602|7.691127|11.850298|18.191376|7.715515|11.812098|36.858105|
|2.208220|2.168299|2.428479|2.906086|3.016404|2.553714|3.849983|4.325511|0.101969|4.073348|0.098262|3.401694|0.080764|4.964427|3.127679|2.599121|2.324835|3.723628|3.195324|5.406364|8.678489|10.676568|6.179049|10.744442|13.760075|36.858105|
|1.909915|1.889602|2.095906|2.432185|2.483936|2.157935|3.015227|3.305867|0.081344|3.186143|0.079918|2.755628|0.067113|3.953073|2.617657|2.238752|2.058886|3.336164|2.865858|4.039256|6.934625|7.029804|4.337662|7.862973|7.986505|13.804634|36.858105|
|1.753648|1.718538|1.871097|2.137963|2.213063|1.970724|2.633589|2.953996|0.074290|2.945525|0.076331|2.529526|0.062422|3.497185|2.446262|2.089465|1.956686|3.215157|2.715495|3.744208|6.706779|6.190016|3.752193|6.696583|6.893397|7.926878|13.743277|36.858105|
|1.806311|1.742923|1.872841|2.144363|2.272525|2.048912|2.717216|3.175312|0.080168|3.274235|0.086736|2.720450|0.067146|3.629537|2.634345|2.199940|2.062264|3.415420|2.823072|4.307209|7.897471|7.014697|4.029581|6.932506|7.958497|6.862480|7.947294|13.743197|36.858105|
|2.054027|1.955833|2.100362|2.450343|2.661427|2.380578|3.284393|4.053596|0.099905|4.270686|0.112101|3.338967|0.080892|4.367488|3.157129|2.538952|2.329197|3.834265|3.134884|6.122852|10.854144|10.683623|5.393705|8.703761|13.803829|7.932720|6.897055|7.943915|13.755287|36.858105|
|1.602713|1.539945|1.627730|1.826787|1.938992|1.793619|2.246163|2.599196|0.067613|2.731922|0.075168|2.322106|0.058724|3.030504|2.293387|1.950311|1.869854|3.157350|2.553146|3.396990|6.424185|5.079868|3.095162|5.344732|4.793728|4.224619|4.748337|6.970981|10.986870|7.101007|448.794386|
|1.520172|1.501426|1.624896|1.817426|1.855349|1.676890|2.139212|2.332396|0.059957|2.324963|0.061221|2.064680|0.051927|2.857319|2.026442|1.781897|1.698901|2.818767|2.377404|2.804995|5.089351|4.378679|2.813668|5.097936|4.236717|4.783893|7.088555|10.989897|6.976432|4.750022|47.565781|448.794386|
|4.065067|4.115936|5.258342|8.317764|8.002126|5.081511|12.274045|7.276422|0.161890|5.201863|0.114392|5.175232|0.124879|10.635016|3.963264|3.509143|2.795354|4.359247|3.653227|4.706044|6.732520|7.105348|6.685626|10.903810|4.192005|4.311460|3.346255|2.795079|2.763699|3.240313|17.957490|18.267927|36.858105|
|3.243069|3.287582|4.037175|5.545209|5.375924|3.892851|7.774896|6.042979|0.133007|4.792688|0.105763|4.625199|0.108180|8.811349|3.814292|3.334643|2.737868|4.240741|3.684249|4.880023|7.132731|7.762441|6.614084|10.927132|4.866452|5.411820|4.041470|3.220815|3.095991|3.600550|19.514762|20.668001|16.000351|73.516695|
|4.615139|5.137815|7.635875|13.653725|8.371238|5.334344|8.096116|5.386602|0.136926|4.014954|0.094346|4.097358|0.106411|7.678917|3.255112|3.040381|2.471511|3.921681|3.224062|3.577143|5.335819|5.305124|4.901921|8.763621|3.305497|3.432242|2.820310|2.402491|2.359118|2.685777|15.755707|16.226717|14.014712|14.883176|53.358707|
|17.731770|8.924407|5.623713|4.985988|5.660219|8.898450|3.991890|3.566368|0.110847|3.169725|0.086880|3.414221|0.110157|4.823023|2.795554|2.797937|2.326407|3.978133|2.819774|2.553707|4.026041|3.371920|2.861060|4.865651|2.106355|1.998088|1.749368|1.625728|1.683332|1.902890|12.157315|11.408383|3.334930|4.912691|4.985455|0.500000|
|8.938652|17.721008|8.933767|5.698017|4.963507|5.640179|3.569641|3.056979|0.091441|2.618189|0.069387|2.761333|0.082528|4.185406|2.325419|2.336613|1.983382|3.337092|2.496251|2.234576|3.536409|3.073130|2.630480|4.681883|1.978437|1.945665|1.721403|1.576482|1.594460|1.768913|11.425786|11.189902|3.383258|4.997798|5.626015|0.215732|0.500000|
|5.613896|8.853176|17.723654|8.888065|5.602988|4.912089|4.223372|3.393022|0.096684|2.774243|0.070528|2.882133|0.081222|4.704926|2.414536|2.382479|2.010361|3.299572|2.596851|2.447137|3.824548|3.492140|3.053989|5.602273|2.269824|2.311431|2.024617|1.802538|1.783357|1.971407|12.472278|12.709941|4.630381|6.670731|9.236212|0.123725|0.214401|0.500000|
|8.907228|5.642439|4.911429|5.642653|8.897569|17.713306|6.452553|5.853693|0.184708|5.270155|0.143326|5.920209|0.217237|7.765517|4.215077|3.948623|3.055267|5.123420|3.576851|3.729913|5.645532|4.684314|4.026909|6.338102|2.742931|2.506776|2.122846|1.965655|2.074886|2.431345|14.720962|13.398393|4.406649|6.298920|5.870756|0.215243|0.124229|0.106826|0.500000|
|4.336933|3.902273|4.248767|5.616619|7.272254|5.802142|9.297221|5.858205|0.134825|5.899155|0.129879|9.216201|0.218983|25.933906|6.820501|6.730792|4.435371|6.513488|5.405876|4.679492|7.208012|5.621888|4.410390|6.566555|3.293296|3.142563|2.584008|2.298728|2.358103|2.760488|16.087203|15.424140|6.750239|9.915182|7.493028|0.102803|0.090010|0.100269|0.156090|0.500000|
|2.709198|2.453049|2.573669|3.094804|3.680900|3.337337|4.794555|4.732679|0.107603|6.653697|0.152075|8.876711|0.174859|9.553675|17.624126|8.805273|6.773412|9.169798|8.428829|6.870317|13.470844|6.585289|4.146202|5.908395|3.968813|3.519739|2.926193|2.714810|2.909351|3.490561|19.963729|17.844327|4.017092|7.256410|4.382253|0.069384|0.060123|0.064423|0.099261|0.169010|0.500000|
|2.785916|2.433726|2.454509|2.871144|3.519052|3.439603|4.234978|4.472322|0.108895|6.727027|0.182494|8.918024|0.216200|7.638652|17.560406|8.865524|7.166795|11.307884|7.326856|5.870577|11.276499|5.640142|3.715845|5.370003|3.375408|2.911322|2.480917|2.377221|2.613417|3.133459|18.722210|15.906484|3.359254|5.772772|3.853332|0.073354|0.059995|0.060804|0.108814|0.140171|0.303587|0.500000|
|3.263294|2.810167|2.765749|3.155951|3.852870|3.948609|4.158913|3.741637|0.094953|4.541402|0.118293|6.953850|0.213232|7.741384|8.781549|17.583958|9.067843|13.478314|7.953228|3.745793|6.528283|4.172844|3.016392|4.586778|2.573471|2.370671|2.053695|1.926629|2.032836|2.339120|14.622907|13.287509|3.326216|5.455237|4.049162|0.086591|0.069236|0.067813|0.123697|0.176024|0.172991|0.208611|0.500000|
|3.039817|2.754074|2.848740|3.339192|3.903313|3.651982|4.498213|3.788748|0.091769|4.427353|0.107045|6.669082|0.166273|9.198418|8.772992|17.543064|8.868679|10.619366|10.087990|3.937564|6.895710|4.466957|3.176458|4.827506|2.793594|2.650376|2.278725|2.091940|2.162553|2.472066|15.215762|14.362028|3.835289|6.497255|4.530044|0.077947|0.067581|0.070958|0.106183|0.225415|0.213680|0.173479|0.300701|0.500000|
|2.209920|2.064170|2.152632|2.457625|2.722770|2.543228|3.162731|2.911879|0.071121|3.429252|0.085858|4.265576|0.104358|5.645502|5.985420|7.343123|9.256487|10.841554|26.093365|3.486277|6.735006|3.997149|2.673716|4.140885|2.676804|2.573145|2.294136|2.145215|2.206652|2.450101|15.759326|14.980584|2.935911|5.363089|3.474756|0.057707|0.052042|0.055467|0.073374|0.119628|0.191339|0.142561|0.147943|0.219214|0.500000|
|1.963076|1.822487|1.862806|2.076717|2.297233|2.217267|2.577441|2.457639|0.061761|2.900866|0.076079|3.462744|0.089344|4.360930|4.720817|5.707314|9.436815|13.729158|26.038457|2.928896|5.754953|3.377478|2.267052|3.558291|2.295161|2.179984|1.987737|1.906976|1.984678|2.174779|14.635492|13.572737|2.370909|4.277467|2.877478|0.052311|0.046569|0.048193|0.064914|0.091474|0.138472|0.127417|0.129580|0.148638|0.311225|0.500000|
|2.376860|2.364533|2.710124|3.308378|3.357100|2.755886|4.368779|4.613615|0.106763|4.128989|0.096842|3.564937|0.084168|5.510414|3.209479|2.707980|2.379763|3.771521|3.275420|5.144182|7.970054|9.811018|6.482859|11.502893|8.929439|17.759324|8.912708|5.638847|4.949847|5.651521|27.398026|31.697070|5.325379|13.132374|5.577951|0.058959|0.058507|0.071896|0.073728|0.097001|0.099890|0.080864|0.068566|0.078332|0.073966|0.061419|0.500000|
|1.824317|1.828039|2.041620|2.345102|2.344147|2.035085|2.790568|2.948406|0.073322|2.805219|0.070447|2.502479|0.061535|3.656194|2.388290|2.091951|1.932891|3.130545|2.713248|3.404921|5.851365|5.689281|3.727043|6.903943|5.666756|8.934784|17.757526|8.960523|5.662474|4.967681|31.477918|54.646011|3.183097|6.884512|3.739718|0.046402|0.046529|0.055479|0.055094|0.067623|0.073745|0.062481|0.053459|0.059825|0.060504|0.052406|0.214368|0.500000|
|2.065988|1.939362|2.049931|2.375656|2.629337|2.402818|3.202490|4.067004|0.102401|4.502891|0.124487|3.433072|0.084261|4.298302|3.261351|2.587997|2.385956|3.979704|3.160734|6.372383|11.704895|9.776275|5.093140|7.985705|8.922341|5.645022|4.969063|5.659352|8.953396|17.775596|54.683617|31.480446|3.028152|5.774568|3.454925|0.053635|0.048771|0.053050|0.069383|0.075457|0.098233|0.092749|0.066761|0.068631|0.067609|0.061123|0.124272|0.107851|0.500000|
|3.925680|4.540975|6.704663|8.926352|5.894055|4.261727|5.756878|4.314766|0.111569|3.375738|0.081027|3.415509|0.088961|6.093820|2.838576|2.688888|2.244226|3.578576|2.973758|3.132564|4.786758|4.705841|4.199360|7.827703|3.068897|3.292254|2.773034|2.345657|2.261781|2.519825|15.146347|16.083534|9.222210|13.068804|26.052930|0.089349|0.106787|0.191109|0.098595|0.123362|0.079133|0.069440|0.072776|0.081930|0.065542|0.054681|0.110054|0.076704|0.065524|0.500000|
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