Version2.1
2021-01-09T05:34:20Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
13-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1ccc2=[NH+]CC(=c2c1)c3nnc(n3c4ccc(cc4)Cl)SCC(=O)NCCc5cccs5 C63806774
RHF
6-31G(d)
(6D,7F)
c1ccc2=[NH+]CC(=c2c1)c3nnc(n3c4ccc(cc4)Cl)SCC(=O)NCCc5cccs5
C01[X(C24H21Cl1N5O1S2)]
156
C1
549
O=C(CSc1nnc(n1c1ccc(cc1)Cl)C1=c2ccccc2=[NH+]C1)NCCc1cccs1
O=C(CSc1nnc(n1c1ccc(cc1)Cl)C1=c2ccccc2=[NH+]C1)NCCc1cccs1
Clc1ccc(cc1)n2c(SCC(=O)NCCc3sccc3)nnc2C4=C5C=CC=CC5=[NH+]C4
InChIKey=KJTNPPYIHCVVRN-UHFFFAOYSA-O
InChI=1S/C24H20ClN5OS2/c25-16-7-9-17(10-8-16)30-23(20-14-27-21-6-2-1-5-19(20)21)28-29-24(30)33-15-22(31)26-12-11-18-4-3-13-32-18/h1-10,13H,11-12,14-15H2,(H,26,31)/p+1
InChI=1/C24H20ClN5OS2/c25-16-7-9-17(10-8-16)30-23(20-14-27-21-6-2-1-5-19(20)21)28-29-24(30)33-15-22(31)26-12-11-18-4-3-13-32-18/h1-10,13H,11-12,14-15H2,(H,26,31)/p+1/fC24H21ClN5OS2/h26-27H/q+1
c1ccc2=[NH+]CC(=c2c1)c3nnc(n3c4ccc(cc4)Cl)SCC(=O)NCCc5cccs5
C01[X(C24H21Cl1N5O1S2)]
156
C01
549
O=C(CSc1nnc(n1c1ccc(cc1)Cl)C1=c2ccccc2=[NH+]C1)NCCc1cccs1
O=[C]([NH]CCC1=[CH][CH]=CS1)CS[C]1[N][N][C]([C]2[C]3[CH]=[CH][CH]=[CH][C]3[NH]C2)[N@@]1[C]1[CH][CH][C]([CH][CH]1)Cl
Cl[C]1[CH][CH][C]([CH][CH]1)N2[C]([N][N][C]2[C]3CN[C]4C=CC=C[C]34)SCC(=O)NCCc5sccc5
InChIKey=MTLYPMWEAZPXNR-UHFFFAOYSA-N
InChI=1S/C24H21ClN5OS2/c25-16-7-9-17(10-8-16)30-23(20-14-27-21-6-2-1-5-19(20)21)28-29-24(30)33-15-22(31)26-12-11-18-4-3-13-32-18/h1-10,13,27H,11-12,14-15H2,(H,26,31)
InChI=1/C24H21ClN5OS2/c25-16-7-9-17(10-8-16)30-23(20-14-27-21-6-2-1-5-19(20)21)28-29-24(30)33-15-22(31)26-12-11-18-4-3-13-32-18/h1-10,13,27H,11-12,14-15H2,(H,26,31)/f/h26H
3455.8861196466
-2522.4495067
1-A
32069.1945
128
421
549
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6.38320
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22.7014
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-21.3253 -176.5543 -205.5474 23.5095 -7.6330 1.5612
|XX|YY|ZZ|XY|XZ|YZ|
113.1503 -42.0786 -71.0717 23.5095 -7.6330 1.5612
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-830.5676 -107.9926 -8.9089 -173.5144 -251.2625 17.2655 -34.9940 36.7921 2.7101 29.1624
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494.08761
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|
10.6317 12.6813 16.7210 17.5820 32.4654 38.7123 43.3527 46.9948 60.4224 65.5629 77.9389 87.5877 100.7698 113.1421 124.7872 144.2785 150.9237 171.7018 187.2239 200.4554 254.6770 271.5912 279.7350 306.2539 314.9610 332.7640 343.0634 346.8867 362.0582 395.1969 438.0089 446.4193 464.8147 465.6669 471.1909 483.4795 494.7943 539.7857 546.2687 548.1880 551.0246 584.6100 600.4066 601.7005 619.1974 645.1884 653.4124 671.9055 692.3498 693.8905 735.4871 753.5163 779.7416 793.2035 804.2990 804.7179 806.3716 810.7078 818.8853 827.4272 850.5898 862.5243 870.8036 924.9184 949.3896 953.8016 954.6264 959.4956 970.5023 993.9199 1011.4427 1026.1495 1051.9534 1052.1002 1061.6143 1092.5413 1102.5101 1110.2317 1111.7894 1114.2607 1117.3939 1128.1189 1141.0276 1143.6100 1151.1611 1155.9984 1162.7640 1188.7092 1195.2377 1213.9617 1215.0878 1230.1053 1255.9424 1267.2133 1270.7819 1292.4117 1296.5648 1297.6193 1324.2390 1330.7910 1337.7321 1351.1093 1390.2398 1407.4385 1413.7789 1444.0074 1445.5347 1451.0134 1463.6994 1490.2023 1498.2315 1518.9497 1525.3114 1537.5375 1554.6543 1557.1838 1557.9065 1577.3686 1589.8015 1603.0576 1604.3451 1629.3553 1640.2259 1646.8730 1647.4873 1678.1769 1692.1388 1717.5034 1730.8704 1758.9529 1767.2191 1769.5947 1798.8755 1830.2156 1948.9388 3214.5553 3250.8892 3260.9639 3272.3348 3274.1531 3298.7863 3325.9302 3328.6825 3386.5835 3386.6288 3387.0406 3389.6557 3405.7678 3406.7126 3412.9059 3413.9231 3414.5378 3445.8341 3453.1021 3877.0171 3878.5945
9.2060 6.6465 4.7375 6.2307 10.5275 6.1208 5.9014 5.8932 3.8988 5.1439 8.2027 3.5571 5.9158 5.1874 5.4127 6.3141 6.6471 6.2951 5.5638 2.6252 5.6698 5.6605 4.3661 6.9367 6.1473 5.0437 3.7305 4.1045 5.9915 9.2388 3.8301 1.2515 2.9679 5.2550 3.6663 6.0494 1.3241 5.6584 5.8817 2.3826 5.0359 8.7775 5.1009 2.8548 3.1273 5.3540 2.2410 6.4768 7.0884 5.6613 5.0294 2.3430 9.5652 5.1537 11.7440 4.4345 4.6351 1.2465 6.9992 4.2564 1.5922 1.3752 5.6200 4.1606 1.2418 3.6202 1.4465 1.8435 1.3806 3.2690 7.4786 1.9469 1.3538 2.1139 2.7403 1.6197 4.2022 3.0740 1.3550 4.5766 2.4051 3.4265 1.3041 2.6710 3.2012 1.3895 1.9770 6.7423 1.9243 1.1798 3.0810 3.3406 1.7081 2.9419 3.4117 1.3503 1.1187 1.1551 1.0868 1.4998 1.6364 1.5731 3.1724 1.3674 2.5792 1.3274 1.2801 3.5726 1.1387 1.6229 1.8968 1.9161 3.8316 7.3568 2.4091 2.3064 2.6553 2.3098 1.2805 1.0941 1.7867 1.1011 1.2598 3.5331 3.4871 2.7476 9.2683 2.0314 7.0144 3.9362 6.7284 5.5351 5.4404 5.6224 9.6663 1.0669 1.0594 1.0711 1.0595 1.0916 1.1057 1.1064 1.1080 1.0923 1.0926 1.0929 1.0907 1.0944 1.0953 1.0960 1.0957 1.0963 1.0996 1.0968 1.0793 1.0816
0.0006 0.0006 0.0008 0.0011 0.0065 0.0054 0.0065 0.0077 0.0084 0.0130 0.0294 0.0161 0.0354 0.0391 0.0497 0.0774 0.0892 0.1093 0.1149 0.0622 0.2167 0.2460 0.2013 0.3833 0.3593 0.3291 0.2587 0.2910 0.4627 0.8501 0.4329 0.1469 0.3778 0.6714 0.4796 0.8331 0.1910 0.9714 1.0341 0.4219 0.9009 1.7675 1.0834 0.6090 0.7064 1.3131 0.5637 1.7228 2.0019 1.6060 1.6029 0.7838 3.4264 1.9105 4.4761 1.6919 1.7758 0.4827 2.7653 1.7169 0.6787 0.6028 2.5109 2.0971 0.6595 1.9404 0.7766 0.9999 0.7661 1.9027 4.5077 1.2079 0.8827 1.3787 1.8196 1.1391 3.0095 2.2324 0.9868 3.3478 1.7693 2.5693 1.0003 2.0582 2.4994 1.0940 1.5749 5.6132 1.6197 1.0244 2.6801 2.9782 1.5875 2.7834 3.2461 1.3289 1.1081 1.1460 1.1228 1.5650 1.7253 1.6919 3.6126 1.5959 3.0374 1.6307 1.5759 4.4318 1.4373 2.1234 2.5085 2.6047 5.2523 10.2468 3.4306 3.2951 3.7971 3.3861 1.9068 1.6566 2.7095 1.7223 1.9969 5.6458 5.5765 4.5590 15.6358 3.5306 12.3814 7.1752 12.3806 10.2123 10.3726 11.0963 21.6325 6.4954 6.5965 6.7110 6.6843 6.8947 7.0890 7.2111 7.2335 7.3812 7.3829 7.3870 7.3836 7.4795 7.4894 7.5219 7.5240 7.5311 7.6929 7.7052 9.5586 9.5869
0.9936 0.1955 0.5538 0.0488 0.6523 1.9501 3.5704 1.7740 0.0753 0.0036 2.8751 4.6593 0.6749 13.7770 12.7583 0.6642 1.2760 3.7468 6.3367 14.0696 3.6605 13.4083 5.2959 1.6260 3.4880 4.2814 11.0555 2.4454 4.2884 25.8092 7.8194 101.3638 0.0995 41.6106 14.6400 0.8863 67.1534 46.9417 15.3740 28.1341 7.7595 24.4827 32.8022 1.7048 0.9624 44.5785 1.1104 2.8124 0.0325 4.7173 19.1179 14.6296 0.0765 103.1529 9.1704 10.8562 9.5137 71.6390 4.2930 10.3967 10.0854 95.6094 13.8511 14.3204 0.0791 59.8041 3.5111 32.8475 6.3023 27.2427 22.8106 7.6779 0.5207 0.0310 188.7450 48.7815 72.8227 7.6263 0.0016 285.3153 3.1618 7.1372 0.3361 7.5876 1.0458 1.8069 25.8559 916.6871 0.0469 5.3464 105.3406 737.8222 51.4643 13.4796 11.7073 10.2398 0.7518 4.5688 0.0164 190.2779 20.5521 185.1943 71.0832 64.4636 44.7503 8.5363 0.0003 28.4005 11.9651 41.5713 48.5686 0.4952 88.8941 1485.7197 144.2892 102.0498 11.1061 19.3730 25.8430 12.9223 6.1305 6.9185 8.0401 169.3555 13.1394 236.6176 175.8623 480.0223 3.1525 123.5352 0.1308 1.6717 12.0856 447.3558 212.5393 29.7394 3.9464 19.9651 13.5711 18.8298 0.0875 9.9474 0.0931 10.2188 3.4469 0.3843 2.5728 7.3773 2.2851 1.1508 0.0044 0.1546 2.2247 10.0922 48.5695 243.0656
1.3592 1.2128 5.9248 3.0246 3.7021 2.1263 0.6717 2.0268 11.2994 1.0051 0.3185 0.8317 2.0597 0.2332 1.8884 1.5761 0.2068 3.4208 14.7689 0.7206 1.1618 1.9370 4.5565 0.7281 2.7391 1.7237 3.0285 0.7183 1.2687 35.9744 0.6903 2.5287 0.0536 3.8649 0.9899 5.3612 0.0337 8.7687 14.9746 1.1175 2.6966 134.5831 6.8459 4.6367 2.6463 40.7514 0.3605 7.2935 5.7454 155.7350 20.6258 1.1711 2.1273 32.0009 1.0663 27.0825 6.5083 2.6226 17.0223 6.2827 2.3137 8.9917 34.3079 4.0994 1.7283 44.1727 1.0113 1.9796 2.8259 43.8577 14.1888 1.4887 3.2888 5.4004 327.8327 113.8489 201.8359 9.6984 0.0049 688.4773 6.2204 18.0137 5.0423 4.9160 20.9350 3.1638 42.2610 3577.2323 0.7858 16.1793 95.9004 1909.5878 5.6332 3.4263 1.2535 249.0757 11.8754 4.5611 5.1518 29.2690 17.7720 31.6463 37.5245 16.7895 242.3079 3.8037 1.1326 534.8146 15.2706 27.3579 103.7133 4.4182 667.1672 2790.7153 604.7435 1022.8907 1.5572 288.4066 106.1854 5.9262 174.9917 49.4406 17.4362 47.1209 128.2775 34.9220 1550.3043 2.4754 985.9122 21.5136 3.6500 13.8140 76.2933 253.7220 5.2001 75.2905 143.0874 92.4324 51.1178 28.3693 53.1488 19.8049 32.9487 68.8378 34.2350 47.5774 86.0644 125.0359 169.1008 331.6421 36.1812 165.3390 174.2863 31.8398 44.6734 95.0470
0.7491 0.7500 0.7500 0.7500 0.7383 0.7452 0.7467 0.7494 0.7500 0.7183 0.6777 0.6462 0.5301 0.3939 0.6725 0.7493 0.7500 0.2278 0.2787 0.7500 0.7499 0.2052 0.3510 0.7499 0.7490 0.7494 0.4462 0.6132 0.7466 0.5742 0.7452 0.5535 0.7411 0.3386 0.7500 0.5244 0.7432 0.3110 0.4374 0.7500 0.6716 0.2778 0.2362 0.7500 0.6732 0.4751 0.7277 0.7441 0.7489 0.3579 0.2199 0.7393 0.7497 0.5671 0.7490 0.2749 0.6228 0.6702 0.1361 0.7500 0.1384 0.7500 0.2184 0.2704 0.7499 0.3914 0.7498 0.5814 0.2714 0.2698 0.5610 0.6286 0.6990 0.7500 0.4566 0.3977 0.4537 0.7009 0.5906 0.3446 0.1024 0.7498 0.7500 0.4368 0.4971 0.7500 0.3963 0.3130 0.7387 0.1933 0.5968 0.3595 0.2111 0.6363 0.7500 0.5162 0.7461 0.1041 0.7499 0.5430 0.7276 0.4867 0.1274 0.2875 0.3381 0.4038 0.7492 0.2811 0.4991 0.3296 0.2848 0.3804 0.2744 0.3659 0.2396 0.2819 0.3511 0.3156 0.7463 0.7121 0.3284 0.5383 0.3006 0.2311 0.2773 0.5770 0.3408 0.4324 0.3546 0.2673 0.7500 0.3786 0.3736 0.3765 0.2028 0.1342 0.2556 0.2268 0.0585 0.7485 0.7500 0.6828 0.7475 0.6581 0.2407 0.7312 0.6867 0.2927 0.5776 0.1496 0.7413 0.1584 0.2323 0.1548 0.1617 0.4039
0.8565 0.8571 0.8571 0.8571 0.8494 0.8540 0.8550 0.8567 0.8571 0.8361 0.8079 0.7851 0.6929 0.5652 0.8042 0.8567 0.8571 0.3711 0.4359 0.8571 0.8571 0.3406 0.5196 0.8571 0.8565 0.8567 0.6171 0.7602 0.8549 0.7295 0.8540 0.7126 0.8513 0.5059 0.8571 0.6880 0.8527 0.4745 0.6086 0.8571 0.8035 0.4348 0.3822 0.8571 0.8047 0.6441 0.8424 0.8533 0.8564 0.5272 0.3606 0.8501 0.8570 0.7238 0.8565 0.4313 0.7676 0.8026 0.2396 0.8571 0.2431 0.8571 0.3585 0.4257 0.8571 0.5626 0.8570 0.7353 0.4270 0.4250 0.7188 0.7719 0.8228 0.8571 0.6269 0.5690 0.6242 0.8241 0.7426 0.5125 0.1858 0.8570 0.8571 0.6080 0.6641 0.8571 0.5677 0.4768 0.8497 0.3239 0.7475 0.5289 0.3486 0.7777 0.8571 0.6809 0.8546 0.1886 0.8571 0.7038 0.8423 0.6547 0.2260 0.4465 0.5054 0.5753 0.8566 0.4389 0.6658 0.4958 0.4433 0.5512 0.4307 0.5358 0.3865 0.4398 0.5197 0.4798 0.8547 0.8319 0.4945 0.6999 0.4622 0.3755 0.4342 0.7318 0.5083 0.6037 0.5235 0.4218 0.8571 0.5493 0.5440 0.5470 0.3372 0.2366 0.4071 0.3697 0.1105 0.8561 0.8571 0.8115 0.8555 0.7938 0.3880 0.8447 0.8143 0.4529 0.7323 0.2603 0.8514 0.2735 0.3770 0.2680 0.2784 0.5754
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 6 6 7 1 6 6 6 6 6 7 7 6 7 6 6 6 6 6 6 17 16 6 6 8 7 6 6 6 6 6 6 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 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
11146.4293 49742.7084 59857.5054
0.99998 0.00641 -0.00036 -0.00640 0.99998 0.00062 0.00036 -0.00062 1.00000
1
0.00777 0.00174 0.00145
0.16191 0.03628 0.03015
15.30 18.25 24.06 25.30 46.71 55.70 62.37 67.61 86.93 94.33 112.14 126.02 144.99 162.79 179.54 207.58 217.15 247.04 269.37 288.41 366.42 390.76 402.48 440.63 453.16 478.77 493.59 499.09 520.92 568.60 630.20 642.30 668.76 669.99 677.94 695.62 711.90 776.63 785.96 788.72 792.80 841.12 863.85 865.71 890.89 928.28 940.11 966.72 996.14 998.35 1058.20 1084.14 1121.87 1141.24 1157.21 1157.81 1160.19 1166.43 1178.19 1190.48 1223.81 1240.98 1252.89 1330.75 1365.96 1372.31 1373.49 1380.50 1396.34 1430.03 1455.24 1476.40 1513.53 1513.74 1527.43 1571.92 1586.27 1597.38 1599.62 1603.17 1607.68 1623.11 1641.68 1645.40 1656.26 1663.22 1672.96 1710.29 1719.68 1746.62 1748.24 1769.85 1807.02 1823.24 1828.37 1859.49 1865.47 1866.98 1905.28 1914.71 1924.70 1943.94 2000.24 2024.99 2034.11 2077.60 2079.80 2087.68 2105.94 2144.07 2155.62 2185.43 2194.58 2212.17 2236.80 2240.44 2241.48 2269.48 2287.37 2306.44 2308.29 2344.28 2359.92 2369.48 2370.37 2414.52 2434.61 2471.10 2490.34 2530.74 2542.63 2546.05 2588.18 2633.27 2804.09 4625.03 4677.30 4691.80 4708.16 4710.78 4746.22 4785.27 4789.23 4872.54 4872.60 4873.20 4876.96 4900.14 4901.50 4910.41 4911.87 4912.76 4957.79 4968.24 5578.16 5580.43
0.445431
0.473456
0.474400
0.378764
-2522.004075
-2521.976051
-2521.975107
-2522.070743
3.207647D-04
MUNgauss
RevisionA2.0
retrievium
09-Jan-2021
DUDE c1ccc2=[NH+]CC(=c2c1)c3nnc(n3c4ccc(cc4)Cl)SCC(=O)NCCc5cccs5 C63806774
RHF
6-31G(d)
(6D,10F)
C1
494.087607
|X|Y|Z|
74.984362 21.496241 161.196045
63.811046
31
|36.858105|
|13.225015|36.858105|
|7.727962|14.029764|36.858105|
|6.836213|8.081560|13.496092|36.858105|
|4.657961|5.257378|7.737044|14.441463|53.358707|
|3.954467|4.644863|6.832670|9.252344|26.031734|0.500000|
|4.094186|4.146558|5.202034|8.351524|17.975470|0.244931|36.858105|
|5.116183|4.634727|5.285056|8.407001|11.256180|0.161810|12.646739|36.858105|
|7.959797|6.881350|7.667080|13.236729|11.471565|0.164267|8.158722|13.909167|36.858105|
|14.166456|7.863380|6.617019|7.662187|7.199573|0.117604|5.060061|7.386510|13.218030|36.858105|
|4.198997|3.632295|3.849756|5.185812|6.997798|0.114125|7.283719|13.206100|7.583342|5.923793|36.858105|
|4.354091|3.535240|3.517364|4.392880|5.533880|0.093418|5.018571|7.941189|6.454649|6.251924|14.720751|53.358707|
|3.369904|2.838756|2.829888|3.397813|4.457493|0.078222|4.015274|5.415668|4.476909|4.384840|8.916499|19.530033|53.358707|
|2.961856|2.606752|2.685869|3.273919|4.525235|0.080256|4.279876|5.342268|4.110565|3.744258|8.867072|12.196924|19.858218|36.858105|
|3.221646|2.900957|3.099413|3.974327|5.740080|0.099310|6.010982|7.494623|5.008957|4.146408|13.819425|11.910313|11.893432|14.103537|53.358707|
|2.770528|2.610391|2.871238|3.646019|5.656936|0.101910|6.064294|5.952227|4.169283|3.386047|7.472888|7.246912|7.278001|7.674134|18.086750|36.858105|
|2.540769|2.435203|2.691330|3.345532|5.254592|0.097669|5.327113|4.913383|3.669136|3.023248|5.586279|5.861435|5.893727|5.719556|10.642777|13.751253|36.858105|
|2.215499|2.173490|2.419927|2.924546|4.674832|0.091006|4.436444|3.848804|3.051635|2.552371|4.073365|4.503341|4.526788|4.150352|7.001395|7.957383|13.766376|36.858105|
|2.096699|2.073746|2.315482|2.771470|4.459015|0.088333|4.144074|3.532645|2.846414|2.390755|3.676019|4.110635|4.130735|3.739503|6.198067|6.927667|7.966358|13.748163|36.858105|
|2.215811|2.173821|2.420357|2.925157|4.676025|0.091026|4.437698|3.849631|3.052222|2.552753|4.073866|4.503530|4.526501|4.149738|7.001375|7.957339|6.853284|7.896771|13.748375|36.858105|
|2.541230|2.435657|2.691904|3.346420|5.256230|0.097693|5.329219|4.915076|3.670137|3.023874|5.587584|5.861878|5.893150|5.718046|10.642867|13.751452|7.907518|6.853340|7.966404|13.766172|36.858105|
|1.796997|1.803409|2.005968|2.319809|3.684878|0.075496|3.179579|2.731931|2.318587|1.994865|2.767250|3.228393|3.241703|2.803254|4.384621|4.252168|4.783372|7.063454|11.009971|7.063518|4.783382|448.794386|
|2.330798|2.105601|2.168732|2.549799|3.582986|0.065947|3.248042|3.659794|2.999831|2.789121|4.959061|6.766150|9.466760|10.915194|9.526109|6.046101|5.103495|4.048676|3.723401|4.047164|5.100578|22.998126|388.023441|
|2.235702|1.983342|1.986904|2.269186|3.083577|0.056988|2.666007|3.078042|2.681893|2.635036|4.013359|6.145052|8.958422|7.070037|6.462416|3.958887|3.521058|2.944728|2.747364|2.942340|3.517030|18.073035|74.482415|36.858105|
|1.896613|1.712879|1.720492|1.934061|2.650545|0.049816|2.250451|2.501426|2.217960|2.176729|3.082284|4.522463|5.876848|4.692922|4.895686|3.258377|3.019720|2.655305|2.517023|2.653031|3.016419|17.131050|50.225608|12.504797|36.858105|
|1.777667|1.628344|1.653573|1.862139|2.590250|0.049074|2.207882|2.391447|2.102431|2.028258|2.898223|4.086398|5.111799|4.301709|4.716460|3.311286|3.124965|2.818299|2.695681|2.816453|3.122494|18.488055|48.802085|8.014194|15.873752|73.516695|
|1.785595|1.608723|1.598007|1.768960|2.396560|0.045236|1.993455|2.218577|2.017430|2.020064|2.666360|3.983121|4.996519|3.731025|4.044160|2.685543|2.515851|2.245442|2.139200|2.242705|2.512033|14.893599|34.280357|7.896213|14.196109|15.058959|53.358707|
|1.571137|1.432676|1.425845|1.562716|2.126285|0.040541|1.747802|1.907292|1.751079|1.749857|2.229168|3.259429|3.910156|2.946509|3.352174|2.297965|2.192061|2.009767|1.933729|2.007419|2.189039|13.800148|26.324032|5.014052|7.764980|12.052055|17.800287|36.858105|
|1.488423|1.365179|1.361001|1.486200|2.027184|0.038822|1.658526|1.794095|1.652506|1.647700|2.072588|3.000405|3.534796|2.675045|3.105899|2.156852|2.031914|1.889361|1.857228|1.953465|2.112202|13.398911|23.493691|4.174893|5.865748|9.987896|10.417086|12.420542|36.858105|
|1.332922|1.232938|1.230092|1.332519|1.820902|0.035126|1.475016|1.576507|1.463832|1.459199|1.787755|2.560621|2.942110|2.224828|2.653947|1.872069|1.790046|1.691766|1.668986|1.736914|1.843726|12.280303|18.993789|3.175443|4.137972|7.424938|6.787917|7.549290|12.664626|36.858105|
|1.252752|1.168210|1.172251|1.269324|1.746575|0.033870|1.413476|1.492231|1.382356|1.366968|1.677565|2.368011|2.690327|2.063692|2.503454|1.798409|1.735682|1.664776|1.652822|1.708908|1.785814|12.330339|17.657786|2.805982|3.581805|6.801766|5.428036|5.474128|7.437110|14.143108|36.858105|
|1.151531|1.078089|1.079731|1.160809|1.594194|0.031041|1.278683|1.344334|1.255893|1.246301|1.493752|2.105950|2.358416|1.792783|2.203264|1.586154|1.541613|1.487753|1.476778|1.517598|1.574857|11.142350|14.928940|2.342234|2.860918|5.328389|4.321872|4.131542|5.028782|8.184740|13.255716|36.858105|
|1.143287|1.066888|1.062494|1.137187|1.551955|0.030180|1.238638|1.310071|1.232675|1.233252|1.453367|2.067136|2.309484|1.730316|2.120970|1.510890|1.465262|1.404674|1.388035|1.428159|1.491951|10.432374|14.164062|2.266327|2.723435|4.899629|4.243285|4.047689|4.808528|7.657473|8.234881|14.182911|36.858105|
|1.254485|1.160096|1.149349|1.232924|1.672443|0.032327|1.339057|1.434029|1.349780|1.360039|1.607673|2.318877|2.623542|1.942067|2.340049|1.639698|1.574681|1.488250|1.463013|1.516234|1.607907|10.832585|15.921754|2.661780|3.246931|5.604019|5.387651|5.409843|6.725665|10.954610|7.478046|7.472276|11.029010|388.023441|
|17.756738|8.787633|5.592440|4.938070|5.022508|0.090007|3.349980|4.092183|5.631978|9.049126|3.602810|5.294034|4.259198|2.715650|3.892482|2.464323|2.274264|1.998675|1.896285|1.998917|2.274616|13.188519|15.518114|2.146931|1.833984|3.037299|2.380633|1.543920|1.463039|1.313495|1.230219|1.134825|1.132467|8.860544|0.500000|
|8.809135|17.722348|9.081736|5.706194|5.717131|0.108622|3.395814|3.674414|4.957564|5.652621|3.019386|4.055051|3.364523|2.280356|3.394612|2.276355|2.146744|1.945504|1.866412|1.945774|2.147097|13.248314|13.417014|1.797726|1.572082|2.661088|2.026587|1.336737|1.277659|1.161086|1.101675|1.021734|1.013546|7.816178|0.215639|0.500000|
|5.529674|8.935709|17.753154|8.774871|9.277218|0.193779|4.556027|4.293861|5.503202|4.820478|3.262156|4.043450|3.361130|2.385126|3.727883|2.615237|2.492213|2.296741|2.218091|2.297141|2.492707|15.742256|14.050311|1.807265|1.586496|2.730944|2.010358|1.329511|1.274021|1.158926|1.109753|1.025943|1.008414|7.713270|0.123212|0.216461|0.500000|
|3.556684|3.600149|4.394087|6.311476|12.380908|0.206308|17.582401|8.835190|6.194230|4.278949|6.451883|6.219954|5.221783|4.224359|8.076621|6.528423|6.519597|5.361843|4.665870|4.640627|5.332802|28.163687|23.489377|2.663252|2.268418|3.996234|2.719545|1.758188|1.655387|1.477136|1.421754|1.286565|1.242631|9.513336|0.083028|0.084180|0.110841|0.500000|
|3.556544|3.600001|4.393901|6.311197|12.380984|0.206286|17.582593|8.834909|6.193982|4.278784|6.451518|6.219350|5.221237|4.223932|8.076150|6.528706|5.331465|4.639972|4.666509|5.364391|6.523325|28.167004|23.486974|2.662103|2.267536|3.995349|2.717780|1.757144|1.686182|1.498717|1.441490|1.300503|1.254407|9.617828|0.083025|0.084177|0.110837|0.301299|0.500000|
|8.990319|5.585236|4.823780|5.517419|5.845362|0.098243|4.421861|6.561820|8.753639|17.797806|6.280648|10.606094|7.146473|4.168917|5.951645|3.417116|3.018008|2.515796|2.347169|2.516112|3.018550|15.652887|21.600150|2.954380|2.390496|3.893885|3.030672|1.902874|1.780163|1.562770|1.451948|1.318778|1.309186|10.359794|0.214810|0.123881|0.105366|0.107388|0.107384|0.500000|
|2.600871|2.469521|2.697160|3.322421|5.065887|0.093542|4.940765|4.825137|3.696186|3.100484|5.543118|6.041574|6.079458|5.673473|9.779181|8.913120|17.726207|8.914183|5.655071|4.942712|5.635103|31.637075|35.301004|3.581671|3.046856|5.517088|3.483795|2.220119|2.021588|1.783015|1.720588|1.533398|1.465029|11.232219|0.064921|0.060496|0.068983|0.170929|0.128068|0.086691|0.500000|
|2.064183|2.039158|2.261576|2.676960|4.230924|0.083818|3.818651|3.345449|2.751683|2.340804|3.474728|3.971190|3.991693|3.532807|5.671734|5.652151|8.910072|17.757018|8.918255|5.633611|4.945013|53.939593|24.983618|2.673324|2.459538|4.653084|2.870391|1.911819|1.788411|1.619052|1.601874|1.441728|1.361302|10.187635|0.052078|0.051167|0.060218|0.129011|0.107333|0.063974|0.214354|0.500000|
|2.064641|2.039656|2.262215|2.677813|4.232537|0.083846|3.820113|3.346436|2.752464|2.341339|3.475293|3.971428|3.991343|3.532129|5.671722|5.652128|4.944979|5.633598|8.918315|17.756984|8.909953|53.940117|24.971006|2.670152|2.456329|4.648398|2.864925|1.908240|1.887453|1.690766|1.673161|1.490693|1.399707|10.507048|0.052088|0.051179|0.060235|0.107357|0.129087|0.063986|0.107406|0.124135|0.500000|
|2.601777|2.470391|2.698224|3.324022|5.068598|0.093580|4.943870|4.828071|3.698059|3.101716|5.545430|6.042451|6.078297|5.670779|9.779270|8.913167|5.635081|4.942727|5.655086|8.914108|17.726048|31.637119|35.266293|3.574113|3.040806|5.509367|3.474075|2.214542|2.168180|1.880253|1.809912|1.592748|1.513256|11.665015|0.064941|0.060515|0.069008|0.128120|0.171072|0.086721|0.124087|0.107407|0.214351|0.500000|
|2.324004|2.041555|2.027420|2.305466|3.096151|0.057029|2.653118|3.109770|2.747506|2.743804|4.045078|6.421660|9.383902|6.668803|6.227580|3.732487|3.216804|2.714405|2.588534|2.836495|3.425545|17.132190|56.199040|17.621213|8.822061|10.987023|9.544715|4.632806|4.119511|3.112427|2.716207|2.280620|2.229123|18.831512|0.062342|0.051402|0.051012|0.072008|0.074113|0.086550|0.089325|0.068068|0.072614|0.100434|0.500000|
|2.324092|2.041898|2.028014|2.306321|3.097683|0.057059|2.654684|3.111110|2.748273|2.743908|4.046456|6.420258|9.373494|6.668717|6.231248|3.735540|3.432622|2.841209|2.590562|2.714375|3.215819|17.144188|56.189526|17.624145|8.824593|10.984198|9.570821|4.639660|3.717868|2.928784|2.588810|2.206437|2.163278|18.061573|0.062337|0.051409|0.051028|0.074200|0.072019|0.086534|0.100756|0.072762|0.068039|0.089212|0.302202|0.500000|
|1.865823|1.664176|1.637405|1.804590|2.417145|0.045446|1.997214|2.254984|2.074659|2.110902|2.712791|4.161244|5.234958|3.718777|4.008573|2.600714|2.419185|2.141057|2.034856|2.140913|2.418999|14.143413|31.703800|7.580578|9.421161|10.861875|26.067020|8.989965|6.244375|4.363505|3.483061|2.881181|2.908923|26.651413|0.051143|0.042812|0.041856|0.055206|0.055206|0.065398|0.068795|0.055825|0.055819|0.068784|0.206766|0.205376|0.500000|
|1.527577|1.390696|1.375461|1.495989|2.022164|0.038603|1.646365|1.800986|1.673262|1.689079|2.084327|3.072021|3.631975|2.673198|3.074884|2.096192|2.013307|1.847276|1.769723|1.826942|1.987115|12.710924|22.788247|4.289775|5.818603|8.940459|12.598530|17.603013|8.793499|6.883031|4.947655|4.033630|4.202867|42.327192|0.041984|0.036200|0.035649|0.045973|0.045678|0.051108|0.057127|0.049148|0.048280|0.055776|0.112449|0.116765|0.229588|0.500000|
|1.521137|1.396670|1.398681|1.536036|2.105701|0.040291|1.735488|1.873299|1.710133|1.692673|2.179746|3.135525|3.731948|2.877846|3.316431|2.316300|2.248684|2.081145|1.992686|2.041697|2.199240|14.305904|26.288852|4.671623|7.276242|13.141642|12.536344|17.639792|8.840070|6.867970|5.685810|4.259743|3.986781|34.488977|0.041336|0.036195|0.036351|0.048946|0.048459|0.050741|0.063437|0.055427|0.053750|0.060956|0.114615|0.121284|0.182372|0.302900|0.500000|
|1.512015|1.392016|1.397015|1.534745|2.108922|0.040407|1.738255|1.868532|1.703996|1.681186|2.166528|3.096715|3.659651|2.837718|3.300459|2.320598|2.170718|2.028075|2.013339|2.134017|2.301979|14.489897|25.735510|4.380289|6.274905|11.705492|9.471797|8.889736|17.580706|8.995443|7.039828|4.648902|4.173740|36.539873|0.041022|0.036077|0.036354|0.048203|0.049500|0.050233|0.059275|0.052969|0.057495|0.065841|0.119472|0.103966|0.153175|0.173743|0.214480|0.500000|
|1.524855|1.391595|1.379277|1.501117|2.033385|0.038855|1.656100|1.805662|1.675343|1.685590|2.084426|3.053980|3.590046|2.658810|3.079976|2.110146|1.964204|1.815812|1.790883|1.901381|2.073708|12.878980|22.584866|4.098271|5.314146|8.497585|9.581631|8.848685|17.535754|8.900648|5.710556|4.316992|4.373990|45.604650|0.041829|0.036216|0.035783|0.045534|0.046773|0.050845|0.054205|0.047530|0.051195|0.059846|0.118533|0.101700|0.179863|0.209820|0.173814|0.302939|0.500000|
|1.267976|1.186220|1.196849|1.301733|1.802499|0.034995|1.466366|1.538411|1.414879|1.387799|1.731695|2.420683|2.752981|2.145741|2.613604|1.900226|1.836660|1.774016|1.771150|1.830543|1.899533|13.249332|18.694590|2.884634|3.710292|7.404587|5.328632|5.106581|6.636324|8.931347|17.729226|8.584552|5.732143|37.755483|0.034421|0.031003|0.031506|0.041084|0.041734|0.040805|0.050243|0.047356|0.049896|0.053309|0.076761|0.072888|0.093184|0.122031|0.154774|0.203012|0.141152|0.500000|
|1.093966|1.029338|1.033786|1.109701|1.528963|0.029879|1.223472|1.277239|1.193729|1.180423|1.409882|1.973422|2.192727|1.674488|2.079495|1.510501|1.476337|1.437332|1.431749|1.464616|1.505918|10.912471|13.868028|2.126460|2.552814|4.816615|3.752650|3.442281|4.019234|5.710944|8.579503|17.747938|8.924836|37.749578|0.029907|0.027141|0.027375|0.034267|0.034613|0.034528|0.040709|0.038854|0.040112|0.042164|0.057355|0.055791|0.069813|0.092883|0.100508|0.107806|0.097781|0.201504|0.500000|
|1.083066|1.013029|1.007309|1.073197|1.462340|0.028501|1.160727|1.225133|1.158870|1.162239|1.349848|1.918578|2.125131|1.584405|1.956381|1.394704|1.356831|1.304216|1.288526|1.322154|1.377042|9.734960|12.781291|2.027541|2.380864|4.259131|3.672119|3.367385|3.827316|5.393774|5.683323|8.767622|17.790909|55.305303|0.029873|0.026819|0.026613|0.032340|0.032597|0.034193|0.037748|0.035227|0.036047|0.038764|0.055565|0.054278|0.071155|0.098720|0.092257|0.094142|0.100057|0.122491|0.203669|0.500000|
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