Version2.1
2020-12-17T10:35:30Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
01-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CC[NH+](Cc1[nH]c(=O)c2c(csc2n1)c3ccc(cc3)Cl)CC(=O)Nc4c(cccc4F)F C12858961
RHF
6-31G(d)
(6D,7F)
CC[NH+](Cc1[nH]c(=O)c2c(csc2n1)c3ccc(cc3)Cl)CC(=O)Nc4c(cccc4F)F
C01[X(C23H20Cl1F2N4O2S1)]
153
C1
543
CC[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccc(cc1)Cl)CC(=O)Nc1c(F)cccc1F
CC[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccc(cc1)Cl)CC(=O)Nc1c(F)cccc1F
CC[NH+](CC(=O)Nc1c(F)cccc1F)CC2=Nc3scc(c4ccc(Cl)cc4)c3C(=O)N2
InChIKey=GRIUDFZVKRAIHU-UHFFFAOYSA-O
InChI=1S/C23H19ClF2N4O2S/c1-2-30(11-19(31)29-21-16(25)4-3-5-17(21)26)10-18-27-22(32)20-15(12-33-23(20)28-18)13-6-8-14(24)9-7-13/h3-9,12H,2,10-11H2,1H3,(H,29,31)(H,27,28,32)/p+1
InChI=1/C23H19ClF2N4O2S/c1-2-30(11-19(31)29-21-16(25)4-3-5-17(21)26)10-18-27-22(32)20-15(12-33-23(20)28-18)13-6-8-14(24)9-7-13/h3-9,12H,2,10-11H2,1H3,(H,29,31)(H,27,28,32)/p+1/fC23H20ClF2N4O2S/h27,29-30H/q+1
CC[NH+](Cc1[nH]c(=O)c2c(csc2n1)c3ccc(cc3)Cl)CC(=O)Nc4c(cccc4F)F
C01[X(C23H20Cl1F2N4O2S1)]
153
C01
543
CC[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccc(cc1)Cl)CC(=O)Nc1c(F)cccc1F
CC[NH](CC1=N[C]2[C]([C](=CS2)[C]2[CH][CH][C]([CH][CH]2)Cl)C(=O)N1)CC(=O)N[C]1[C]([CH][CH][CH][C]1F)F
CC[NH](CC(=O)N[C]1[C](F)[CH][CH][CH][C]1F)CC2=N[C]3SC=C([C]4[CH][CH][C](Cl)[CH][CH]4)[C]3C(=O)N2
InChIKey=UUDQMTIEDZYZEP-UHFFFAOYSA-N
InChI=1S/C23H20ClF2N4O2S/c1-2-30(11-19(31)29-21-16(25)4-3-5-17(21)26)10-18-27-22(32)20-15(12-33-23(20)28-18)13-6-8-14(24)9-7-13/h3-9,12,30H,2,10-11H2,1H3,(H,29,31)(H,27,28,32)
InChI=1/C23H20ClF2N4O2S/c1-2-30(11-19(31)29-21-16(25)4-3-5-17(21)26)10-18-27-22(32)20-15(12-33-23(20)28-18)13-6-8-14(24)9-7-13/h3-9,12,30H,2,10-11H2,1H3,(H,29,31)(H,27,28,32)/f/h27,29H
3532.3131455339
-2305.8315891
1-A
25649.3822
126
417
543
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9.76609
-14.2262 8.5623 2.1545
16.7433
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-153.7044 -132.6767 -193.8073 -8.7729 -15.1841 2.9391
|XX|YY|ZZ|XY|XZ|YZ|
6.3584 27.3861 -33.7445 -8.7729 -15.1841 2.9391
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-633.9981 117.0376 28.6574 -180.2000 -109.1408 -27.1580 -55.5788 20.5043 -19.4283 -29.9005
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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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
8.5087 11.5515 12.1150 27.2768 38.0442 43.6811 53.7474 55.6792 61.6064 70.6710 88.2719 116.6363 130.5736 151.9938 160.6319 165.2224 181.6584 209.8570 224.3783 232.1691 258.8790 276.9469 281.4393 292.0587 312.4486 322.7583 340.9175 350.3051 363.6704 382.9085 397.1293 397.9792 440.4751 450.3545 458.5338 473.4972 492.2969 509.4489 518.0637 546.0466 552.4342 567.0710 590.9605 597.5708 610.3975 616.2636 648.4397 650.0458 661.4577 673.2229 688.4769 718.3426 730.0136 753.6958 764.7799 774.0500 776.1216 800.5178 812.2594 835.1900 866.9485 875.9840 889.5857 904.4323 917.8015 923.8288 933.3037 943.0213 953.7261 1004.5464 1010.6361 1031.4676 1037.5777 1056.9480 1079.7684 1088.4061 1098.7293 1100.6174 1115.5894 1118.4566 1123.8534 1134.7486 1156.5680 1163.3727 1185.9703 1193.4182 1200.2373 1215.3392 1218.1071 1228.8032 1268.4413 1297.4776 1309.1579 1316.6006 1319.4076 1320.2857 1347.3705 1356.5365 1373.7849 1392.8359 1395.4632 1401.3373 1423.4430 1442.0348 1450.9638 1456.3048 1511.1713 1531.1849 1531.7474 1548.7429 1561.6692 1581.5009 1587.9816 1615.3100 1621.6894 1629.1867 1630.0622 1640.5025 1650.3929 1651.6763 1657.2765 1661.8908 1671.5940 1690.4857 1724.9721 1738.8720 1764.9932 1805.6487 1808.8533 1826.6703 1848.4715 1967.1451 2009.0660 3227.8583 3270.5880 3275.2872 3279.4819 3299.1689 3311.0780 3327.7174 3340.8473 3364.1468 3377.3160 3391.7756 3395.9429 3406.2700 3410.2889 3414.3291 3419.3055 3446.1453 3577.2876 3824.4521 3847.1286
9.4789 9.0130 10.9513 5.6239 8.0833 8.9596 4.7709 4.5761 4.6655 7.1715 3.4977 7.2633 7.2125 8.4269 3.9905 5.2905 6.1126 2.2636 3.0962 6.6507 4.6432 4.8404 8.1923 2.1968 4.1654 4.5174 4.1128 5.0089 4.0808 3.8846 5.9871 5.7939 6.2172 5.1374 2.9822 1.5447 6.3177 7.1097 3.8591 6.9207 5.6368 3.9057 5.0587 4.2173 4.5307 4.4745 5.4730 1.9175 3.4464 3.8822 6.6498 5.1280 4.1993 6.7296 5.9969 2.8311 3.8622 3.6699 6.2905 3.7606 1.2389 9.9799 1.5438 4.5577 1.3472 3.0086 3.3833 1.2673 1.6706 1.4036 5.2081 2.8960 5.2418 5.3678 2.2115 1.3846 2.4893 1.3671 3.4395 1.3308 3.3992 4.9672 2.9589 1.9023 2.6093 2.8847 3.1756 2.7468 3.1117 1.8452 3.0201 1.8031 1.1696 2.2247 1.7837 3.7722 1.6225 2.1093 1.8083 1.3709 1.7098 1.6158 4.1619 1.2025 1.3223 3.8053 1.2810 4.0665 1.2690 1.3685 2.8868 1.2711 1.3958 4.1735 1.2034 1.0576 1.1421 1.1138 1.0929 1.1791 2.5232 2.4473 3.1453 3.2176 2.6358 6.7143 6.7343 7.0189 5.5137 8.3678 8.5367 9.8795 10.0510 1.0368 1.0629 1.0637 1.0682 1.1039 1.1025 1.1062 1.1082 1.1043 1.0909 1.0903 1.0907 1.0956 1.0967 1.0946 1.0980 1.0956 1.0767 1.0798 1.0789
0.0004 0.0007 0.0009 0.0025 0.0069 0.0101 0.0081 0.0084 0.0104 0.0211 0.0161 0.0582 0.0725 0.1147 0.0607 0.0851 0.1188 0.0587 0.0918 0.2112 0.1833 0.2187 0.3823 0.1104 0.2396 0.2773 0.2816 0.3621 0.3180 0.3356 0.5563 0.5407 0.7107 0.6139 0.3694 0.2041 0.9021 1.0872 0.6102 1.2158 1.0136 0.7400 1.0409 0.8873 0.9946 1.0012 1.3559 0.4774 0.8884 1.0367 1.8571 1.5591 1.3185 2.2523 2.0666 0.9994 1.3707 1.3856 2.4453 1.5455 0.5486 4.5120 0.7198 2.1966 0.6686 1.5128 1.7364 0.6640 0.8953 0.8345 3.1341 1.8154 3.3249 3.5331 1.5191 0.9664 1.7705 0.9757 2.5220 0.9809 2.5295 3.7684 2.3319 1.5169 2.1623 2.4207 2.6953 2.3904 2.7203 1.6416 2.8629 1.7884 1.1811 2.2721 1.8295 3.8742 1.7354 2.2869 2.0107 1.5669 1.9617 1.8695 4.9685 1.4733 1.6401 4.7549 1.7236 5.6173 1.7543 1.9340 4.1480 1.8732 2.0738 6.4159 1.8647 1.6538 1.7880 1.7661 1.7540 1.8952 4.0831 3.9824 5.1782 5.4176 4.6209 11.9615 12.3603 13.4831 10.6291 16.4506 17.1856 22.5246 23.9028 6.3644 6.6986 6.7229 6.7691 7.0793 7.1212 7.2174 7.2873 7.3639 7.3314 7.3903 7.4113 7.4898 7.5145 7.5184 7.5636 7.6659 8.1177 9.3058 9.4083
0.3935 0.1830 0.0815 0.5283 0.5891 1.1264 0.0307 0.5411 0.6648 5.8366 3.3362 5.9107 7.8172 0.6443 4.8294 12.4132 5.7144 0.9221 5.3475 2.8778 3.4872 0.1171 6.4653 7.7287 6.3305 8.4118 5.3583 1.0086 1.2675 4.6568 8.4186 8.4423 17.5098 2.4773 0.2114 70.5578 32.4248 10.9938 1.5444 2.2280 4.3398 0.5157 16.2040 12.9532 2.8523 7.0653 23.2928 51.3325 0.3440 0.4411 0.9836 2.9981 4.6354 3.3170 10.1554 33.8815 10.6707 6.8312 0.3897 3.8845 9.9258 34.7047 87.4610 34.7544 50.3501 9.9701 9.1359 1.5731 23.0354 0.0165 7.9400 58.4702 45.3428 28.3864 32.8488 1.2993 8.2443 0.5859 18.1812 1.6257 19.9140 105.2661 16.6370 3.1583 16.6496 57.7488 97.4207 8.9997 6.4337 17.0515 4.8698 5.9774 1.9177 64.6010 13.5408 17.8988 4.2431 9.3657 32.5280 25.5589 30.5940 112.8247 83.6674 18.5407 2.6526 62.3765 96.5845 17.0607 4.3537 9.0505 20.7480 42.6410 112.9657 25.8745 61.5934 5.4164 54.8501 33.5272 32.7636 19.9590 125.2209 60.5353 23.7554 143.7206 426.5025 31.4048 4.3139 91.8068 24.9597 45.0415 305.1733 306.3255 741.9493 7.1299 1.8091 2.4599 9.6000 12.7828 6.7477 2.5453 0.9684 4.8081 8.1129 8.5765 3.5319 3.9440 3.2742 0.2762 0.1248 5.3731 109.7433 111.6598 73.4044
0.9312 1.8046 2.2072 1.0386 3.1830 1.0628 6.9302 2.8571 1.2979 1.1938 1.6235 0.2843 1.8745 0.7149 0.1932 0.5895 0.3407 1.3704 0.2203 2.9172 2.1574 3.4626 2.5746 0.6158 1.4569 2.4718 0.4981 2.5813 1.3006 0.7684 1.4643 2.1604 2.5635 5.9005 0.8863 1.9176 4.9288 1.8364 1.8807 3.0773 1.9572 0.6369 3.8494 0.9699 0.8116 3.2943 3.1638 3.0468 0.4063 0.5742 6.1564 1.8429 3.9723 21.6010 6.3483 1.4211 3.0959 1.0920 11.4240 0.1733 1.1443 3.3633 0.8743 5.0503 2.1433 3.5307 5.9984 3.2915 5.1379 1.3968 7.9151 10.7063 1.6625 5.8693 2.9831 2.4429 6.7476 0.5444 1.3436 0.2049 3.2129 1.0049 0.7867 13.4071 7.8321 11.9817 14.0353 7.6542 3.5594 4.5067 1.1540 2.5798 7.4046 3.4761 2.4760 4.6875 44.7623 11.7445 6.9076 11.6689 4.3631 5.2001 14.7383 9.7904 4.0075 12.5153 6.3666 32.4536 12.1133 6.7395 8.5229 18.2258 25.4840 331.4756 18.6284 8.7599 26.8488 16.7644 8.6239 14.2659 1.9993 18.7645 1.2893 131.7754 5.5300 32.3082 1.4996 5.1721 231.7031 30.2363 140.1886 9.6773 29.9849 96.2837 61.7865 32.6311 181.0651 56.8264 95.0482 67.7785 38.8068 39.8208 38.6904 43.0552 67.2950 88.1312 135.6935 67.7135 200.2585 78.8391 20.4723 63.0229 65.2337
0.7459 0.7415 0.7486 0.7129 0.7236 0.7344 0.7221 0.7432 0.7484 0.6472 0.7311 0.7499 0.7218 0.7472 0.3823 0.1619 0.6868 0.1983 0.6230 0.4804 0.4849 0.7480 0.6489 0.6532 0.6363 0.6460 0.3971 0.6202 0.7186 0.3842 0.1090 0.7492 0.5084 0.2150 0.5698 0.6903 0.0917 0.6136 0.2319 0.7332 0.1803 0.5773 0.3279 0.6433 0.4942 0.6113 0.2817 0.7215 0.5552 0.1473 0.7209 0.2903 0.2461 0.1853 0.2788 0.6397 0.1596 0.5083 0.1478 0.5410 0.3945 0.6573 0.7289 0.6303 0.5695 0.3100 0.2871 0.6781 0.1147 0.7457 0.3288 0.1743 0.7178 0.1210 0.6113 0.6939 0.6542 0.3646 0.0631 0.6724 0.7391 0.1112 0.7492 0.1373 0.7500 0.1570 0.1113 0.1116 0.6670 0.3504 0.3610 0.5194 0.0992 0.5665 0.7204 0.7065 0.2031 0.5153 0.3171 0.7279 0.7459 0.6065 0.6209 0.1405 0.6465 0.1672 0.6696 0.7500 0.5399 0.3709 0.3229 0.5611 0.3558 0.2466 0.3757 0.7499 0.4597 0.7065 0.7189 0.6846 0.7139 0.3198 0.3755 0.2872 0.2671 0.7024 0.5612 0.7420 0.4132 0.6461 0.2427 0.1866 0.3569 0.0225 0.1105 0.2458 0.0919 0.7395 0.4558 0.5839 0.6645 0.4764 0.5400 0.7325 0.6835 0.2726 0.1600 0.7326 0.1101 0.3464 0.0842 0.2886 0.1615
0.8545 0.8516 0.8562 0.8324 0.8397 0.8469 0.8386 0.8527 0.8561 0.7858 0.8447 0.8571 0.8384 0.8553 0.5532 0.2786 0.8143 0.3309 0.7677 0.6490 0.6531 0.8558 0.7871 0.7903 0.7777 0.7849 0.5684 0.7656 0.8363 0.5552 0.1967 0.8566 0.6741 0.3539 0.7259 0.8168 0.1680 0.7605 0.3765 0.8460 0.3055 0.7320 0.4939 0.7829 0.6615 0.7588 0.4396 0.8382 0.7140 0.2567 0.8378 0.4499 0.3949 0.3127 0.4360 0.7803 0.2752 0.6740 0.2575 0.7021 0.5658 0.7932 0.8432 0.7732 0.7257 0.4733 0.4461 0.8082 0.2057 0.8543 0.4949 0.2969 0.8358 0.2159 0.7588 0.8193 0.7910 0.5344 0.1187 0.8041 0.8500 0.2001 0.8566 0.2414 0.8571 0.2714 0.2003 0.2008 0.8003 0.5190 0.5305 0.6837 0.1805 0.7232 0.8375 0.8280 0.3377 0.6801 0.4815 0.8425 0.8545 0.7551 0.7662 0.2463 0.7853 0.2865 0.8021 0.8571 0.7012 0.5411 0.4881 0.7189 0.5249 0.3956 0.5462 0.8571 0.6299 0.8280 0.8365 0.8128 0.8331 0.4846 0.5459 0.4462 0.4216 0.8252 0.7189 0.8519 0.5848 0.7850 0.3906 0.3145 0.5260 0.0440 0.1990 0.3947 0.1684 0.8503 0.6262 0.7373 0.7984 0.6453 0.7013 0.8456 0.8120 0.4284 0.2759 0.8457 0.1984 0.5146 0.1554 0.4479 0.2781
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53
6 6 7 1 6 6 7 1 6 8 6 6 6 16 6 7 6 6 6 6 6 6 17 6 6 8 7 6 6 6 6 6 6 9 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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
7722.9116 42292.1672 47673.0661
0.99999 -0.00346 0.00096 0.00347 0.99996 -0.00767 -0.00094 0.00767 0.99997
1
0.01122 0.00205 0.00182
0.23369 0.04267 0.03786
12.24 16.62 17.43 39.25 54.74 62.85 77.33 80.11 88.64 101.68 127.00 167.81 187.87 218.69 231.11 237.72 261.37 301.94 322.83 334.04 372.47 398.46 404.93 420.21 449.54 464.38 490.50 504.01 523.24 550.92 571.38 572.60 633.75 647.96 659.73 681.26 708.31 732.98 745.38 785.64 794.83 815.89 850.26 859.77 878.23 886.67 932.96 935.27 951.69 968.62 990.56 1033.53 1050.33 1084.40 1100.35 1113.69 1116.67 1151.77 1168.66 1201.65 1247.35 1260.35 1279.92 1301.28 1320.51 1329.18 1342.82 1356.80 1372.20 1445.32 1454.08 1484.05 1492.84 1520.71 1553.55 1565.97 1580.83 1583.54 1605.08 1609.21 1616.97 1632.65 1664.04 1673.83 1706.35 1717.06 1726.87 1748.60 1752.58 1767.97 1825.00 1866.78 1883.59 1894.29 1898.33 1899.60 1938.57 1951.75 1976.57 2003.98 2007.76 2016.21 2048.02 2074.77 2087.61 2095.30 2174.24 2203.03 2203.84 2228.30 2246.89 2275.43 2284.75 2324.07 2333.25 2344.04 2345.30 2360.32 2374.55 2376.39 2384.45 2391.09 2405.05 2432.23 2481.85 2501.85 2539.43 2597.93 2602.54 2628.17 2659.54 2830.28 2890.60 4644.17 4705.65 4712.41 4718.44 4746.77 4763.90 4787.84 4806.73 4840.26 4859.20 4880.01 4886.00 4900.86 4906.65 4912.46 4919.62 4958.23 5146.92 5502.53 5535.16
0.435244
0.462978
0.463922
0.370543
-2305.396345
-2305.368611
-2305.367667
-2305.461046
3.131947D-04
MUNgauss
RevisionA2.0
retrievium
17-Dec-2020
DUDE CC[NH+](Cc1[nH]c(=O)c2c(csc2n1)c3ccc(cc3)Cl)CC(=O)Nc4c(cccc4F)F C12858961
RHF
6-31G(d)
(6D,10F)
C1
489.096357
|X|Y|Z|
60.877311 28.134766 145.435967
62.920215
26
|36.858105|
|12.532405|36.858105|
|7.581963|12.585367|53.358707|
|7.458942|9.231230|25.498000|0.500000|
|5.989312|7.638390|17.440291|0.259620|36.858105|
|4.529590|5.065528|10.547727|0.216031|12.600215|36.858105|
|3.612707|3.894386|7.013802|0.139789|7.801532|14.137402|53.358707|
|3.479405|3.767478|6.417154|0.122131|7.305698|9.269949|25.934888|0.500000|
|2.954941|3.087887|5.294131|0.110340|5.030204|7.802367|18.360846|0.259884|36.858105|
|2.578177|2.674096|4.380802|0.089616|4.072251|5.458683|11.566543|0.220767|16.034524|73.516695|
|2.908386|3.005106|5.208502|0.114873|4.498299|6.993101|10.912154|0.161675|13.056850|14.132144|36.858105|
|2.438082|2.484368|4.117546|0.090911|3.364272|4.588561|6.849923|0.114600|7.248022|10.792166|13.137792|36.858105|
|2.418436|2.452221|4.043962|0.091619|3.133662|4.116109|5.604273|0.095181|5.127556|7.675356|8.291809|14.132744|36.858105|
|2.917129|2.977381|5.090025|0.121816|3.739057|4.959877|5.975111|0.099112|4.825106|6.820600|7.413539|7.347289|11.005224|388.023441|
|3.388160|3.529951|6.445262|0.151710|5.228554|8.512101|9.873526|0.145940|7.862080|9.515428|13.944668|8.127274|7.792887|78.971469|36.858105|
|4.354829|4.725345|9.788900|0.242894|7.964775|15.011762|11.200621|0.164877|6.648200|8.371500|7.798267|5.188479|5.016794|50.101753|13.837937|53.358707|
|2.094065|2.124740|3.408446|0.073438|2.797598|3.585671|5.584874|0.100061|5.822568|10.471477|7.240305|12.797585|7.655627|33.661534|5.046041|5.145357|36.858105|
|1.858939|1.904569|3.022383|0.064605|2.426810|2.996095|4.534951|0.083428|4.356869|7.950018|5.128391|7.654496|6.185132|28.753620|4.022727|4.305688|13.710589|36.858105|
|1.660598|1.693261|2.633956|0.055745|2.111776|2.523837|3.831445|0.072739|3.541596|6.763952|3.857893|5.053457|4.329028|22.317441|3.147709|3.544568|7.890391|13.756146|36.858105|
|1.634794|1.649764|2.537698|0.053487|2.057020|2.434956|3.756542|0.072542|3.465946|6.889718|3.600625|4.470352|3.744423|20.096509|2.919678|3.353003|6.867827|7.985033|13.792552|36.858105|
|1.784974|1.783723|2.748238|0.058064|2.264209|2.714877|4.281739|0.082547|4.069440|8.328172|4.131098|5.037686|3.993643|21.504779|3.237960|3.697070|7.903212|6.885522|7.920094|13.759421|36.858105|
|2.036713|2.034569|3.196206|0.068237|2.663894|3.327328|5.331839|0.099129|5.461514|10.884684|5.814815|7.580265|5.304239|27.054700|4.210529|4.582479|13.696934|7.962526|6.873937|7.976336|13.791262|36.858105|
|1.432549|1.442770|2.180648|0.045627|1.751631|2.011335|3.059660|0.060363|2.687016|5.316651|2.720486|3.175172|2.806467|16.007688|2.307446|2.745419|4.221895|4.777126|7.049001|10.958401|7.045254|4.777299|448.794386|
|5.027322|7.642232|17.407448|0.264824|7.705734|6.051229|6.023283|0.113196|3.532307|5.286296|3.543808|2.886856|2.876701|25.672255|4.336448|8.197875|2.407535|2.191944|1.908705|1.810400|1.922566|2.211967|12.540487|36.858105|
|4.585040|6.136233|10.628320|0.221735|5.095531|4.558156|4.764221|0.088622|2.995818|4.538828|3.165841|2.700225|2.809365|25.928797|3.949688|6.921957|2.249952|2.077162|1.810699|1.705095|1.793366|2.050390|11.870783|12.451030|36.858105|
|5.173518|6.250038|9.991255|0.247059|4.783331|4.386966|4.566889|0.084192|2.914505|4.403861|3.145918|2.709357|2.871685|27.270477|4.003812|6.969098|2.242339|2.052601|1.788995|1.692744|1.791004|2.054690|11.776564|8.086993|15.916124|73.516695|
|3.518946|4.464278|7.078404|0.142990|3.930228|3.648503|4.057695|0.076666|2.636757|4.085593|2.784525|2.451766|2.565020|22.865027|3.345087|5.431698|2.083434|1.966869|1.727633|1.614741|1.674304|1.888933|11.340016|7.866603|14.224113|14.978755|53.358707|
|3.025937|3.572824|5.335645|0.112342|3.109968|2.976978|3.412729|0.064637|2.288546|3.594165|2.455401|2.233968|2.386050|21.082692|2.912486|4.497651|1.919288|1.834345|1.622356|1.512570|1.556376|1.740407|10.703265|5.050097|7.869093|12.010881|18.281168|36.858105|
|2.742525|3.092926|4.713784|0.103180|2.849773|2.857623|3.312033|0.061947|2.282202|3.578752|2.519078|2.346573|2.577405|23.101344|3.008701|4.460107|2.004086|1.930582|1.697294|1.567862|1.603500|1.795752|11.054220|4.194545|6.017200|10.353546|10.610983|13.764197|36.858105|
|2.377425|2.597704|3.821918|0.083251|2.378472|2.390160|2.838279|0.053573|1.986195|3.161626|2.186727|2.084082|2.299592|19.950196|2.548487|3.677095|1.812621|1.764337|1.569469|1.452381|1.476403|1.635155|10.345493|3.238254|4.277147|7.703303|6.983335|7.891173|13.845016|36.858105|
|2.250805|2.456639|3.488006|0.074432|2.175811|2.137277|2.561264|0.049000|1.780546|2.864426|1.922758|1.827362|1.982087|16.775276|2.202484|3.205563|1.612886|1.570632|1.413867|1.319378|1.341992|1.473829|9.492015|2.931740|3.774672|6.743053|6.190693|6.876984|8.027925|13.743510|36.858105|
|2.391557|2.667011|3.701923|0.077300|2.276014|2.176986|2.597438|0.050125|1.777369|2.863158|1.887173|1.766792|1.884677|15.891130|2.155256|3.205504|1.563030|1.513249|1.366181|1.282738|1.310613|1.438712|9.246342|3.166595|4.101963|7.103231|6.989165|7.885631|6.897756|7.884074|13.747418|36.858105|
|2.767361|3.213330|4.502263|0.092733|2.682928|2.519211|2.952564|0.056884|1.985293|3.169160|2.095529|1.925006|2.036842|17.433852|2.422212|3.698818|1.685951|1.619050|1.451862|1.363567|1.400549|1.548673|9.763299|4.047885|5.573272|9.059527|10.640466|13.772946|8.041996|6.907032|8.035670|13.842903|36.858105|
|2.856128|3.400568|4.573758|0.090815|2.724427|2.476530|2.916444|0.057001|1.933869|3.107197|1.998695|1.818212|1.890739|15.931759|2.280914|3.530806|1.605394|1.536131|1.386146|1.311376|1.351612|1.489352|9.432031|4.123631|5.281393|8.297284|9.500472|8.217771|5.338132|4.667582|5.312860|8.149489|14.394163|97.533100|
|2.802636|3.137170|5.039148|0.113530|3.101679|3.253817|3.738145|0.068492|2.610471|4.029714|2.972601|2.774840|3.120907|29.250546|3.653276|5.300311|2.313221|2.222811|1.919185|1.753515|1.793229|2.033343|12.191291|4.441752|6.092551|10.573562|9.451836|8.215063|14.423708|8.157878|5.314114|4.666411|5.339965|9.244544|97.533100|
|17.589862|8.956209|7.548649|0.148211|4.631721|3.633424|4.140598|0.082997|2.550748|4.046701|2.499747|2.143767|2.129789|17.870424|2.841237|4.753535|1.875539|1.682681|1.519696|1.501585|1.631444|1.836743|10.681804|4.169060|3.927828|7.743720|4.310214|2.794396|2.518906|2.227364|2.151540|2.308985|2.639715|6.240943|5.667026|0.500000|
|17.581144|8.714238|9.198629|0.184527|6.437550|4.910209|5.454879|0.108548|3.228220|5.015347|3.101831|2.566402|2.497500|20.983975|3.535156|6.132495|2.212347|1.937705|1.733245|1.722747|1.904156|2.183481|12.080670|4.469664|3.918403|7.617547|4.209716|2.672890|2.472014|2.159963|2.033443|2.133871|2.436387|5.615306|5.786137|0.302974|0.500000|
|17.582219|8.835772|9.349923|0.219605|5.238546|4.371422|4.697091|0.089739|2.910082|4.473948|2.971522|2.521348|2.557560|22.547935|3.556137|6.154068|2.139995|1.899309|1.687318|1.652773|1.801017|2.064135|11.584731|4.818683|4.799544|10.526765|4.944008|3.203709|2.963350|2.571793|2.408646|2.523624|2.895935|6.543806|6.853675|0.302121|0.299813|0.500000|
|8.741672|17.609969|12.355730|0.181648|7.373570|4.700202|5.196169|0.107052|2.995586|4.707110|2.820124|2.337488|2.268391|18.961879|3.191613|5.632144|2.035246|1.832094|1.643133|1.609519|1.739376|1.966988|11.373769|6.606525|5.009394|8.501356|5.381487|3.181828|2.749531|2.341377|2.241589|2.449362|2.928031|7.140825|6.240486|0.211685|0.207153|0.172327|0.500000|
|8.897829|17.689013|12.387633|0.212404|5.655569|4.201556|4.515424|0.088626|2.731219|4.244906|2.716817|2.300937|2.310894|20.061687|3.199947|5.625741|1.977030|1.797072|1.602128|1.551373|1.660004|1.878754|10.953738|7.603859|7.163255|13.037119|7.056525|4.141472|3.440564|2.871031|2.754576|3.064987|3.788310|9.238503|7.570126|0.215453|0.172759|0.214339|0.301294|0.500000|
|6.884444|7.546711|12.356762|0.208473|17.630284|8.940742|9.311090|0.191694|4.629696|6.918830|4.068762|3.121141|2.893970|23.918859|4.537689|8.548334|2.652739|2.286630|2.016755|1.996309|2.222294|2.597172|13.754286|5.658192|4.208132|7.390016|4.536783|2.742259|2.532851|2.162965|2.002553|2.093648|2.427082|5.580481|6.111800|0.146182|0.236976|0.156542|0.211816|0.148411|0.500000|
|4.883977|6.490116|12.338416|0.182712|17.605284|8.815153|9.572304|0.205227|4.664394|7.033749|4.016143|3.085698|2.844661|23.271717|4.410870|8.187198|2.640517|2.332455|2.051532|1.997213|2.176731|2.519468|13.778040|7.408528|4.701675|7.427772|5.225101|3.007011|2.713786|2.273970|2.102340|2.221515|2.628548|6.116716|6.551636|0.112690|0.141829|0.117584|0.198625|0.142500|0.302322|0.500000|
|2.164558|2.181578|3.507382|0.078871|2.672164|3.347349|4.559825|0.080095|4.041785|6.389546|5.712591|8.809624|17.791990|55.468034|5.464469|5.387115|6.774629|6.263705|4.497992|3.792730|3.885194|4.860206|23.070501|2.522135|2.511580|4.582427|3.181238|2.222249|2.430843|2.216067|1.913177|1.800839|1.918115|3.988196|6.561213|0.053690|0.061695|0.063751|0.056275|0.057784|0.069367|0.068245|0.500000|
|1.851789|1.916283|3.059706|0.065577|2.414801|2.968619|4.364752|0.079755|4.045648|7.079003|4.907619|7.090166|6.520244|30.574533|4.071864|4.355265|8.907993|17.724541|8.957702|5.675761|4.959169|5.653193|31.668373|2.262176|2.168611|3.788814|2.826414|1.946548|2.071071|1.891224|1.669153|1.597336|1.706684|3.614953|5.427206|0.046542|0.053030|0.052783|0.050985|0.050661|0.062358|0.064643|0.190480|0.500000|
|1.540838|1.577671|2.438045|0.051425|1.932006|2.269092|3.390064|0.064893|3.029148|5.713280|3.276051|4.116286|3.733267|20.064040|2.777444|3.191791|5.623839|8.900501|17.751618|8.928944|5.641904|4.955181|53.819307|1.787139|1.708636|2.991021|2.244363|1.560198|1.637176|1.524940|1.377004|1.327053|1.402658|3.009365|4.145572|0.039387|0.044366|0.043493|0.042601|0.041770|0.051138|0.052497|0.110071|0.215625|0.500000|
|1.727501|1.712455|2.602951|0.054732|2.149159|2.526347|3.981500|0.078338|3.654340|7.557654|3.579005|4.099250|3.364848|19.036853|2.887566|3.392942|5.629575|4.961324|5.644725|8.923770|17.753274|8.917027|53.854196|1.806544|1.682402|2.995255|2.134873|1.459668|1.495154|1.381803|1.264838|1.240057|1.323049|2.887769|3.725867|0.044129|0.051476|0.048204|0.046627|0.044181|0.059424|0.057514|0.090858|0.107677|0.124251|0.500000|
|2.204065|2.172094|3.402550|0.072801|2.882016|3.622596|5.905195|0.109792|6.066685|12.066774|6.130865|6.976762|4.982115|27.214391|4.434179|4.904111|8.895029|5.652585|4.955001|5.675316|8.981234|17.748500|31.695036|2.299278|2.113452|3.793501|2.613936|1.759424|1.802017|1.635380|1.478775|1.450806|1.567531|3.406993|4.569173|0.054963|0.066622|0.061886|0.058304|0.055102|0.079478|0.074702|0.122724|0.124081|0.107604|0.216264|0.500000|
|4.144826|5.602776|12.331240|0.215425|7.518235|6.909661|6.898276|0.126154|4.048353|5.950391|4.074097|3.253971|3.206072|28.501883|4.999622|9.386050|2.678445|2.441024|2.098621|1.969720|2.083979|2.417111|13.501594|17.639999|8.878664|11.271149|9.420836|4.658729|4.090709|3.157939|2.801983|2.951049|3.676394|8.187059|10.293713|0.096790|0.108110|0.111984|0.142855|0.148620|0.147581|0.210487|0.076961|0.070548|0.054461|0.053849|0.069144|0.500000|
|4.660039|7.321505|12.316554|0.183893|6.569210|4.931307|5.317955|0.104759|3.142453|4.853793|3.058398|2.540984|2.503597|21.417136|3.556872|6.299670|2.177858|2.003773|1.770754|1.689264|1.786574|2.025951|11.842632|17.610755|8.717352|10.875858|9.557746|4.657706|3.743566|2.979725|2.789621|3.098075|3.983520|9.728706|8.510036|0.112940|0.115091|0.118593|0.201359|0.211248|0.143381|0.200339|0.061854|0.057231|0.046327|0.046960|0.058376|0.299828|0.500000|
|3.217070|4.125122|6.541513|0.125938|3.839458|3.545008|4.037667|0.077321|2.618901|4.098926|2.712911|2.387622|2.457944|21.245665|3.174402|5.089831|2.053284|1.952515|1.722609|1.608206|1.660175|1.862799|11.330847|7.528294|9.405154|10.823290|26.011831|9.163945|6.139725|4.403546|4.027593|4.585705|6.649335|14.765867|12.794585|0.081220|0.080111|0.089648|0.106442|0.129109|0.089803|0.108826|0.062252|0.057332|0.045827|0.043200|0.052368|0.198165|0.208837|0.500000|
|2.205649|2.364788|3.500259|0.076939|2.225534|2.281138|2.739069|0.051514|1.948180|3.110316|2.171467|2.108358|2.362413|20.341176|2.516475|3.537208|1.838425|1.802490|1.602976|1.476137|1.493082|1.650422|10.515307|2.893640|3.669108|6.724810|5.681014|5.641771|8.979952|17.759132|8.836375|5.608417|4.973167|8.316859|16.654920|0.057326|0.056391|0.066539|0.059411|0.071201|0.056560|0.058861|0.064169|0.053971|0.043412|0.038716|0.045614|0.079808|0.073543|0.102242|0.500000|
|2.028753|2.177254|3.063054|0.065302|1.944735|1.919505|2.328859|0.044726|1.632907|2.647134|1.761165|1.692168|1.836573|15.279143|1.993157|2.862811|1.508358|1.476604|1.338443|1.250932|1.268143|1.383830|9.056025|2.518791|3.123362|5.640436|4.927445|4.955907|5.693028|8.947700|17.740917|8.948932|5.695754|9.611217|9.615191|0.054318|0.051341|0.060215|0.055638|0.067042|0.050227|0.052266|0.049733|0.043536|0.036352|0.033277|0.038495|0.067321|0.067013|0.091433|0.213307|0.500000|
|2.226033|2.459946|3.340329|0.069017|2.081520|1.976002|2.382869|0.046375|1.631623|2.650043|1.716159|1.611080|1.705961|14.153705|1.935415|2.869208|1.439498|1.395954|1.269912|1.198028|1.223439|1.334873|8.693928|2.804331|3.476493|6.042725|5.687717|5.639166|4.968347|5.607455|8.834455|17.758816|8.974954|16.634518|8.315183|0.060637|0.055336|0.064649|0.063632|0.078345|0.053783|0.056808|0.045439|0.040746|0.034333|0.032293|0.037427|0.072451|0.077762|0.107604|0.123076|0.213223|0.500000|
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