Version2.2
2021-02-08T20:46:25Z
10.1021/jm300687e
Gaussian16
RevisionB.01
SBUNGAY
05-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE C1CCc2c(c3c4nnc(n4c(nc3s2)C5CC5)SCC(=O)NC6CCCC6)C1 C01339540
RHF
6-31G(d)
(6D,7F)
C1CCc2c(c3c4nnc(n4c(nc3s2)C5CC5)SCC(=O)NC6CCCC6)C1
C01[X(C21H25N5O1S2)]
156
C1
493
O=C(NC1CCCC1)CSc1nnc2n1c(nc1c2c2CCCCc2s1)C1CC1
O=C(NC1CCCC1)CSc1nnc2n1c(nc1c2c2CCCCc2s1)C1CC1
O=C(CSc1nnc2n1c(nc3sc4CCCCc4c23)C5CC5)NC6CCCC6
InChIKey=CIMRWZZOBRFOLQ-UHFFFAOYSA-N
InChI=1S/C21H25N5OS2/c27-16(22-13-5-1-2-6-13)11-28-21-25-24-19-17-14-7-3-4-8-15(14)29-20(17)23-18(26(19)21)12-9-10-12/h12-13H,1-11H2,(H,22,27)
InChI=1/C21H25N5OS2/c27-16(22-13-5-1-2-6-13)11-28-21-25-24-19-17-14-7-3-4-8-15(14)29-20(17)23-18(26(19)21)12-9-10-12/h12-13H,1-11H2,(H,22,27)/f/h22H
C1CCc2c(c3c4nnc(n4c(nc3s2)C5CC5)SCC(=O)NC6CCCC6)C1
C01[X(C21H25N5O1S2)]
156
C01
493
O=C(NC1CCCC1)CSc1nnc2n1c(nc1c2c2CCCCc2s1)C1CC1
O=C(NC1CCCC1)CS[C]1[N][N][C]2[C]3[C](N=C(N12)C1CC1)SC1=[C]3CCCC1
O=C(CS[C]1[N][N][C]2[C]3[C](SC4=C3CCCC4)N=C(C5CC5)N12)NC6CCCC6
InChIKey=CIMRWZZOBRFOLQ-UHFFFAOYSA-N
InChI=1S/C21H25N5OS2/c27-16(22-13-5-1-2-6-13)11-28-21-25-24-19-17-14-7-3-4-8-15(14)29-20(17)23-18(26(19)21)12-9-10-12/h12-13H,1-11H2,(H,22,27)
InChI=1/C21H25N5OS2/c27-16(22-13-5-1-2-6-13)11-28-21-25-24-19-17-14-7-3-4-8-15(14)29-20(17)23-18(26(19)21)12-9-10-12/h12-13H,1-11H2,(H,22,27)/f/h22H
2959.6563711360
-1951.9009877
1-A
22263.6180
113
380
493
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10.28827
-1.1558 -1.9439 -0.0969
2.2636
|XX|YY|ZZ|XY|XZ|YZ|
-157.8214 -184.3285 -186.2939 7.0925 -1.0522 -0.6075
|XX|YY|ZZ|XY|XZ|YZ|
18.3265 -8.1806 -10.1460 7.0925 -1.0522 -0.6075
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-84.0349 17.9921 -4.3885 -10.9047 -159.8136 -7.6471 -19.9409 0.4498 3.5098 -1.0412
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
10.6612 16.7911 29.5418 36.5026 41.3116 45.6033 48.1426 59.1908 75.6603 96.2225 98.9386 113.5679 127.2801 137.7503 145.8613 170.6153 181.6367 214.4815 235.9645 272.0118 277.1248 299.5550 320.5341 326.9258 344.2332 374.1634 384.4882 394.2089 416.1301 445.9369 466.4276 473.8415 492.0716 503.5110 533.2546 545.3294 605.9912 612.7961 636.0092 651.2629 658.0888 675.6967 681.9440 738.2104 753.0220 759.6586 768.3852 776.5253 834.9793 839.8012 855.8063 869.9044 886.1747 893.3375 904.7877 911.3964 917.3687 936.8147 942.2192 968.0363 990.6345 1000.8467 1019.0276 1021.1036 1025.2626 1030.7617 1034.4016 1035.6089 1064.5919 1093.3207 1109.7377 1129.3329 1130.4766 1158.0742 1162.0399 1197.8855 1198.4792 1212.8908 1214.1587 1219.5439 1219.9904 1227.8009 1256.5034 1261.3722 1266.3611 1299.2268 1316.0624 1319.8152 1320.0531 1321.9467 1323.2348 1337.7355 1345.0384 1362.3783 1384.5906 1387.9388 1388.3519 1416.3572 1429.0310 1439.3491 1446.8927 1458.2402 1468.7409 1481.8348 1493.5061 1497.5580 1504.9787 1514.7174 1520.6268 1531.1149 1548.8610 1560.8226 1602.4891 1609.9311 1612.6013 1625.2807 1630.6798 1634.4054 1638.3809 1644.6827 1646.0325 1652.4243 1666.3361 1671.5910 1677.3458 1681.1747 1715.3106 1748.7805 1779.6350 1856.9062 1950.0069 3186.9662 3194.1531 3197.5442 3197.8451 3202.2035 3203.5485 3218.6288 3234.6337 3235.1313 3245.3565 3249.8966 3250.9223 3263.0019 3269.4111 3270.2354 3271.3279 3276.8121 3292.5863 3321.6073 3322.4392 3333.1014 3373.4088 3406.2811 3428.6248 3864.0396
5.0390 3.4014 4.1326 4.3555 3.4629 2.2994 4.6621 3.2868 6.6893 3.8865 3.2503 3.4758 3.2828 4.2912 5.1955 4.3236 3.1118 4.1270 4.3618 4.5170 8.0255 4.5622 2.2743 4.6421 5.2060 4.8250 3.7376 5.1868 4.6465 6.8326 1.2909 6.0183 2.3093 4.5200 4.4813 6.8955 3.4521 3.9610 7.8813 4.6336 2.2664 2.7483 5.9334 8.0746 4.6997 11.8204 4.3303 3.6856 1.4148 2.2532 2.4358 1.9687 2.0775 2.8514 2.0237 1.7919 1.8158 2.8603 3.3734 2.3845 3.7773 1.5804 3.2786 3.1197 1.9754 2.8135 2.0069 2.6280 1.3489 1.7164 5.1500 2.1093 4.6811 2.7111 2.5596 1.2990 2.6945 2.3003 1.9587 3.0222 2.9460 1.4470 1.3250 2.1048 1.2742 1.1226 1.5494 1.4425 1.4314 1.4796 2.1193 1.7127 3.2363 1.5209 2.4549 1.4077 1.1738 1.3404 1.3240 3.8497 1.3378 6.5351 1.3447 1.4170 1.4747 1.5198 1.4692 1.4864 2.1133 1.5439 1.5391 1.9948 1.0936 5.4827 1.0969 1.1239 1.0818 1.0931 1.1036 1.0974 1.1019 1.1090 1.5327 1.1172 6.7333 11.8606 1.9536 11.5761 8.6253 11.7742 9.7486 1.0726 1.0664 1.0720 1.0718 1.0671 1.0683 1.0652 1.0952 1.0669 1.0950 1.1049 1.0991 1.0921 1.0948 1.0599 1.0964 1.1021 1.0937 1.0537 1.1067 1.0611 1.0904 1.1197 1.1153 1.0786
0.0003 0.0006 0.0021 0.0034 0.0035 0.0028 0.0064 0.0068 0.0226 0.0212 0.0187 0.0264 0.0313 0.0480 0.0651 0.0742 0.0605 0.1119 0.1431 0.1969 0.3631 0.2412 0.1377 0.2923 0.3635 0.3980 0.3255 0.4749 0.4741 0.8005 0.1655 0.7961 0.3294 0.6752 0.7508 1.2082 0.7469 0.8764 1.8784 1.1579 0.5783 0.7393 1.6257 2.5926 1.5701 4.0190 1.5064 1.3094 0.5812 0.9363 1.0511 0.8778 0.9612 1.3407 0.9761 0.8769 0.9003 1.4790 1.7645 1.3165 2.1840 0.9327 2.0059 1.9164 1.2234 1.7612 1.2652 1.6606 0.9007 1.2089 3.7368 1.5850 3.5247 2.1422 2.0364 1.0982 2.2803 1.9938 1.7013 2.6483 2.5834 1.2852 1.2325 1.9731 1.2039 1.1165 1.5811 1.4804 1.4696 1.5235 2.1864 1.8058 3.4496 1.6632 2.7728 1.5977 1.3330 1.5843 1.5930 4.6991 1.6501 8.1877 1.7091 1.8333 1.9380 2.0081 1.9607 2.0093 2.8791 2.1324 2.1755 2.8632 1.6547 8.3726 1.6806 1.7492 1.6949 1.7204 1.7454 1.7490 1.7589 1.7842 2.5074 1.8393 11.1615 19.7507 3.3866 20.8585 16.0947 23.9199 21.8405 6.4188 6.4104 6.4576 6.4577 6.4470 6.4598 6.5014 6.7511 6.5787 6.7951 6.8758 6.8437 6.8509 6.8950 6.6781 6.9131 6.9724 6.9858 6.8498 7.1979 6.9453 7.3108 7.6545 7.7247 9.4882
0.6059 0.0186 0.6256 1.8933 1.4518 1.8475 0.8033 1.3094 0.1362 0.8456 2.9345 9.4041 3.4674 2.8284 6.9097 1.7006 0.5143 0.1825 0.0582 9.8098 5.4475 5.4226 1.6166 0.4774 3.3204 2.0053 6.9279 0.2889 2.2146 2.3445 101.6102 5.5026 0.8280 0.5309 3.0118 12.9870 0.7226 7.3208 5.1259 1.7229 1.0486 1.4574 2.7991 0.2371 10.4092 2.2478 20.5936 4.4293 0.5619 1.8476 7.3437 3.3882 0.4089 0.1988 4.2308 6.2005 14.7878 8.1260 0.3264 2.1979 29.0596 2.1762 7.7493 24.6382 6.3803 13.5225 5.0682 3.3683 3.3622 6.4934 8.9072 0.3049 1.7689 21.9848 52.1863 6.2190 9.9457 9.6710 4.2821 32.1487 4.7567 1.8973 19.9443 17.5285 1.8582 2.5328 96.0984 3.1008 3.5037 1.1078 9.7714 219.8351 9.6675 40.3808 18.7930 18.3828 1.8697 11.5302 7.2675 40.9023 28.1843 12.2751 1.8906 2.6239 20.0476 24.5751 9.3296 8.7812 25.3837 7.4672 8.4358 24.0980 22.9665 3.6252 1.6740 4.6885 0.0883 2.9982 2.1678 3.0731 2.0038 0.2781 6.6693 10.4094 69.4521 14.7428 608.8988 104.7612 45.6409 442.2060 238.6996 24.5574 33.4200 46.4417 27.8267 22.4891 25.9070 26.7029 47.4796 63.0700 88.9791 68.2000 26.4457 6.2411 20.8713 15.7390 32.8918 52.0942 54.1858 13.1798 0.2937 16.2069 3.4611 4.9278 7.2640 31.3226
1.1391 0.6505 0.5268 1.3319 0.0795 0.4410 0.1317 0.3650 0.1262 0.2050 0.4308 0.3407 0.5204 1.1815 1.5976 0.2815 0.4345 0.1910 0.9151 0.4119 0.3215 2.4322 0.2483 1.5811 2.4453 2.1227 0.8574 2.6959 0.9676 2.3307 1.1271 1.5212 0.3212 2.6556 0.7262 1.7655 4.8802 3.7002 5.2413 1.7361 0.4281 2.0782 5.9191 4.4888 1.0582 0.1611 6.0028 2.7922 4.1900 4.5055 2.0669 2.5172 7.9576 17.7804 9.2931 3.1623 11.9960 3.5311 31.2154 3.0970 12.4114 1.8373 13.1187 6.1174 2.0366 15.9037 1.1168 9.7458 2.6389 12.5243 16.2932 8.7119 2.7948 7.2632 1.2777 5.9669 2.7053 4.5751 14.4252 0.7046 4.5082 3.0066 2.4883 35.1161 12.2392 9.8895 7.5641 6.8548 6.1066 2.1804 23.8175 27.7901 44.4475 8.8821 14.2842 9.1754 12.6313 22.6131 4.0157 89.6920 14.3329 58.1857 5.7981 0.7848 1.5290 4.5933 1.4368 9.8938 23.2727 3.2810 7.9586 25.0851 7.0378 25.6560 10.3634 30.9828 24.2276 14.8704 20.2665 10.3251 4.2913 14.1811 9.2885 8.6338 516.5250 171.0646 2.6401 600.9634 17.5021 234.5443 4.1088 18.7796 109.5157 87.9890 166.2816 47.3736 67.7610 42.3334 123.4645 156.5411 230.1154 106.5192 24.6424 136.2150 53.9401 54.2093 61.6032 103.2574 47.7276 48.2644 30.7893 138.1033 90.3657 73.7955 44.8188 32.2540
0.7481 0.7442 0.7500 0.7268 0.7277 0.6770 0.2774 0.5411 0.6757 0.7142 0.7190 0.6232 0.5324 0.3326 0.2623 0.3440 0.2391 0.4607 0.4146 0.1784 0.4899 0.6829 0.7474 0.2905 0.4892 0.1662 0.6987 0.6186 0.4589 0.3517 0.7058 0.7382 0.4033 0.3587 0.7035 0.5100 0.2096 0.5294 0.4141 0.3292 0.5735 0.7499 0.3013 0.5159 0.7046 0.2306 0.3572 0.6677 0.1442 0.2332 0.7447 0.5528 0.3893 0.2233 0.1912 0.2826 0.6603 0.7357 0.0936 0.4420 0.4511 0.7340 0.4541 0.7343 0.7480 0.6914 0.7283 0.6797 0.5461 0.2369 0.4602 0.7071 0.6797 0.7382 0.7499 0.3862 0.7165 0.1713 0.5999 0.6212 0.7388 0.7114 0.7213 0.3659 0.4393 0.7417 0.5551 0.4070 0.5815 0.6643 0.2165 0.3476 0.1466 0.7408 0.3210 0.5361 0.7329 0.5723 0.7118 0.1909 0.1911 0.2687 0.7491 0.5248 0.5956 0.6610 0.2909 0.3458 0.5652 0.5637 0.6664 0.7139 0.6180 0.7021 0.7058 0.5399 0.7494 0.5646 0.7491 0.6856 0.7345 0.2430 0.5157 0.6688 0.3531 0.2858 0.5291 0.2084 0.2590 0.5386 0.2249 0.2925 0.2414 0.2520 0.1629 0.5039 0.2759 0.6419 0.4160 0.1203 0.2423 0.7458 0.7466 0.2811 0.4120 0.0352 0.7040 0.5520 0.1816 0.2847 0.7466 0.1212 0.1889 0.6109 0.6851 0.1521
0.8559 0.8534 0.8571 0.8418 0.8424 0.8074 0.4343 0.7022 0.8065 0.8333 0.8365 0.7678 0.6949 0.4992 0.4156 0.5119 0.3859 0.6308 0.5861 0.3027 0.6576 0.8116 0.8554 0.4502 0.6570 0.2850 0.8226 0.7644 0.6291 0.5204 0.8276 0.8494 0.5748 0.5280 0.8260 0.6755 0.3466 0.6923 0.5857 0.4954 0.7289 0.8571 0.4631 0.6806 0.8267 0.3748 0.5264 0.8007 0.2521 0.3782 0.8537 0.7120 0.5605 0.3650 0.3210 0.4407 0.7954 0.8477 0.1712 0.6130 0.6217 0.8466 0.6246 0.8468 0.8558 0.8175 0.8428 0.8093 0.7065 0.3830 0.6304 0.8284 0.8093 0.8494 0.8571 0.5572 0.8348 0.2925 0.7499 0.7663 0.8498 0.8314 0.8381 0.5358 0.6104 0.8517 0.7139 0.5785 0.7354 0.7983 0.3559 0.5159 0.2558 0.8511 0.4860 0.6980 0.8458 0.7280 0.8316 0.3206 0.3209 0.4235 0.8565 0.6883 0.7465 0.7959 0.4507 0.5138 0.7222 0.7210 0.7998 0.8331 0.7639 0.8250 0.8275 0.7012 0.8568 0.7217 0.8566 0.8135 0.8470 0.3910 0.6805 0.8015 0.5219 0.4445 0.6920 0.3449 0.4115 0.7001 0.3672 0.4526 0.3890 0.4026 0.2801 0.6701 0.4324 0.7819 0.5876 0.2148 0.3901 0.8544 0.8549 0.4388 0.5835 0.0679 0.8263 0.7113 0.3074 0.4432 0.8549 0.2162 0.3177 0.7585 0.8131 0.2640
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 6 6 6 7 7 6 7 6 7 6 16 6 6 6 16 6 6 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 14.00307 12.00000 31.97207 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
5470.4257 34481.5768 39301.6221
1.00000 -0.00233 -0.00106 0.00233 1.00000 -0.00073 0.00106 0.00073 1.00000
1
0.01583 0.00251 0.00220
0.32991 0.05234 0.04592
15.34 24.16 42.50 52.52 59.44 65.61 69.27 85.16 108.86 138.44 142.35 163.40 183.13 198.19 209.86 245.48 261.33 308.59 339.50 391.36 398.72 430.99 461.18 470.37 495.27 538.34 553.19 567.18 598.72 641.60 671.09 681.75 707.98 724.44 767.23 784.61 871.89 881.68 915.08 937.02 946.84 972.18 981.17 1062.12 1083.43 1092.98 1105.53 1117.25 1201.35 1208.29 1231.31 1251.60 1275.01 1285.31 1301.79 1311.30 1319.89 1347.87 1355.64 1392.79 1425.30 1440.00 1466.15 1469.14 1475.12 1483.04 1488.27 1490.01 1531.71 1573.04 1596.67 1624.86 1626.50 1666.21 1671.92 1723.49 1724.34 1745.08 1746.90 1754.65 1755.29 1766.53 1807.83 1814.83 1822.01 1869.30 1893.52 1898.92 1899.26 1901.99 1903.84 1924.70 1935.21 1960.16 1992.12 1996.93 1997.53 2037.82 2056.06 2070.90 2081.76 2098.08 2113.19 2132.03 2148.82 2154.65 2165.33 2179.34 2187.84 2202.93 2228.47 2245.68 2305.62 2316.33 2320.17 2338.42 2346.18 2351.54 2357.26 2366.33 2368.27 2377.47 2397.49 2405.05 2413.33 2418.84 2467.95 2516.11 2560.50 2671.67 2805.62 4585.33 4595.67 4600.55 4600.99 4607.26 4609.19 4630.89 4653.92 4654.63 4669.34 4675.88 4677.35 4694.73 4703.95 4705.14 4706.71 4714.60 4737.30 4779.05 4780.25 4795.59 4853.58 4900.88 4933.03 5559.49
0.475879
0.501097
0.502041
0.415072
-1951.425109
-1951.399890
-1951.398946
-1951.485916
2.916988D-04
MUNgauss
RevisionA2.1
retrievium
08-Feb-2021
DUDE C1CCc2c(c3c4nnc(n4c(nc3s2)C5CC5)SCC(=O)NC6CCCC6)C1 C01339540
RHF
6-31G(d)
(6D,10F)
C1
427.150054
|X|Y|Z|
55.082432 137.379990 18.875362
52.272984
28
|36.858105|
|12.447831|36.858105|
|7.535764|12.422983|36.858105|
|6.746121|7.652253|12.655736|36.858105|
|7.604874|6.693936|7.526080|14.155705|36.858105|
|4.907045|4.460304|5.069147|8.269554|13.197491|36.858105|
|4.028884|3.529714|3.732478|5.146057|7.275898|13.302301|36.858105|
|3.962492|3.317772|3.304479|4.216099|5.872372|7.678772|14.861679|53.358707|
|3.092478|2.683152|2.697117|3.314643|4.203298|5.372391|8.954389|19.024815|53.358707|
|2.808810|2.524326|2.624582|3.270692|3.980518|5.409751|8.786947|12.009620|20.277531|36.858105|
|3.140119|2.871945|3.097916|4.082014|5.008287|7.924103|13.724733|11.784011|11.904886|13.745567|53.358707|
|2.861593|2.734100|3.073522|4.054542|4.531783|6.848021|7.818743|7.375097|7.290062|7.412487|18.579960|36.858105|
|3.099714|3.057485|3.614042|4.987359|5.204835|7.845411|6.849850|6.416892|5.832331|5.198105|11.195032|14.986487|53.358707|
|3.959885|3.912263|4.817977|7.697068|8.128749|14.032779|8.082663|7.194296|5.883229|4.764600|9.816917|8.381939|18.974100|36.858105|
|4.179050|4.602384|6.688245|10.900189|7.364836|7.434464|4.882406|5.143617|4.307290|3.333057|5.933723|4.905539|9.537694|11.008357|388.023441|
|2.340234|2.258472|2.503605|3.111344|3.349442|4.464992|5.047204|5.551749|5.984885|6.133266|10.461759|12.827724|10.809067|5.211709|26.484822|36.858105|
|2.117046|2.088831|2.353643|2.850582|2.921155|3.668781|3.804521|4.302402|4.475875|4.158595|6.765641|7.391148|8.960399|4.475714|25.284218|12.739861|36.858105|
|2.132328|2.050012|2.276226|2.752978|2.905724|3.676460|4.029682|4.657672|5.035033|4.837371|7.452555|7.373535|7.926246|4.224653|23.259100|12.607336|12.789873|36.858105|
|2.230633|2.050245|2.133171|2.552320|2.929373|3.682226|4.888516|6.703544|9.605777|10.802063|9.218246|5.536587|5.512542|3.528179|19.013537|6.036312|4.226553|5.203257|388.023441|
|2.126518|1.923137|1.943579|2.262440|2.616777|3.104969|4.036846|6.212750|9.225229|7.103792|6.405263|3.797085|4.162455|2.852477|16.132970|3.851674|3.015057|3.517609|74.774334|36.858105|
|1.818411|1.668323|1.688988|1.929229|2.172888|2.514276|3.082488|4.555536|5.989704|4.684604|4.827064|3.096539|3.499447|2.378176|13.908699|3.301578|2.726316|3.155644|49.876501|12.530665|36.858105|
|1.706698|1.585544|1.622883|1.852139|2.054037|2.385201|2.861586|4.067247|5.146641|4.243395|4.590532|3.083801|3.481742|2.315044|13.615841|3.454635|2.905926|3.386827|47.745400|7.975188|15.871240|73.516695|
|1.717799|1.570659|1.570784|1.767221|1.984855|2.237948|2.688438|4.049161|5.115435|3.745495|4.020163|2.589793|3.017435|2.097437|12.542099|2.691570|2.288536|2.591187|34.173351|7.922524|14.127751|15.051907|53.358707|
|1.519362|1.403165|1.404519|1.561189|1.726415|1.919640|2.240416|3.303091|3.982867|2.949848|3.325108|2.212024|2.627311|1.824962|11.136070|2.329189|2.043787|2.282578|26.175792|5.026317|7.742501|12.020569|17.882225|36.858105|
|1.448944|1.332715|1.324381|1.456103|1.605859|1.755579|2.021344|3.001493|3.525436|2.543009|2.926357|1.948426|2.354892|1.659940|10.275779|2.014984|1.792754|1.992094|21.239230|3.942162|5.129883|8.030542|10.447193|12.439816|36.858105|
|1.305054|1.212282|1.205427|1.315071|1.435029|1.557047|1.763056|2.580722|2.964205|2.159217|2.546545|1.726392|2.110230|1.486292|9.319078|1.797012|1.626822|1.779553|17.824180|3.101905|3.899717|6.559721|6.937470|7.832276|12.343954|36.858105|
|1.297196|1.213965|1.210973|1.325207|1.442633|1.574339|1.782993|2.587625|2.980816|2.202995|2.602024|1.776671|2.163646|1.512261|9.458382|1.870459|1.693326|1.832592|18.500432|3.164430|4.068120|7.092068|6.929120|7.927152|7.699317|12.258043|36.858105|
|1.435066|1.338027|1.335698|1.476426|1.622268|1.791734|2.065340|3.020487|3.568004|2.645310|3.047087|2.051797|2.460647|1.711640|10.542347|2.163721|1.918121|2.086315|22.872478|4.120856|5.672045|9.493528|10.290474|12.440932|7.940282|7.748056|12.412833|36.858105|
|12.433490|7.522296|6.280613|7.590455|12.625009|7.250911|5.826028|7.826546|5.548212|3.598278|5.590867|3.554573|5.155356|5.034820|33.481860|2.789280|2.436945|2.471727|19.196473|2.546447|2.116509|3.500167|2.687449|1.716576|1.617953|1.442673|1.439464|1.613849|36.858105|
|17.512683|8.865335|6.942415|6.195855|6.629359|4.584583|3.807194|5.069541|4.035995|2.717751|4.123995|2.787477|4.114448|3.812147|28.878205|2.296843|2.096228|2.135970|15.515133|2.076227|1.784564|2.986172|2.295469|1.495540|1.432501|1.288537|1.273595|1.402727|8.846626|0.500000|
|17.548458|8.816190|5.490660|4.930277|5.552250|4.020232|3.527033|4.934451|3.946178|2.594106|3.824993|2.540285|3.660348|3.300242|24.170040|2.122621|1.921070|1.942276|14.895355|2.043341|1.758191|2.917951|2.287527|1.491534|1.433114|1.293253|1.281899|1.413626|8.842054|0.303279|0.500000|
|8.855303|17.521712|8.850151|6.686685|6.172229|4.321924|3.487965|4.491558|3.649795|2.519392|3.881690|2.708260|4.089802|3.792451|30.867067|2.246527|2.068573|2.009259|14.577175|1.928803|1.673867|2.825839|2.146988|1.409677|1.334733|1.217558|1.225785|1.354411|6.923436|0.173816|0.210846|0.500000|
|8.802814|17.547609|8.844256|5.572209|4.900524|3.582564|2.955084|3.840673|3.195845|2.216929|3.372771|2.380597|3.589903|3.248919|27.224253|2.012704|1.886338|1.854309|13.099962|1.743921|1.531362|2.594165|1.976285|1.307532|1.249892|1.142523|1.141308|1.249300|5.482625|0.211049|0.214745|0.303017|0.500000|
|5.504902|8.802965|17.543277|8.897540|5.751959|4.344332|3.301369|3.975205|3.329977|2.414816|3.864005|2.885694|4.652355|4.380666|45.366841|2.397317|2.293692|2.174826|14.237488|1.818096|1.596200|2.744894|2.021159|1.336621|1.258258|1.152635|1.163440|1.280031|4.849158|0.140071|0.123240|0.219777|0.206954|0.500000|
|6.576168|8.808918|17.510641|8.934021|6.071049|4.441513|3.388975|4.123561|3.428043|2.462133|3.914686|2.876914|4.578613|4.332301|42.310619|2.381315|2.269521|2.218660|14.443967|1.854429|1.623090|2.780785|2.059285|1.358430|1.287011|1.172054|1.171989|1.286069|5.283681|0.196549|0.138026|0.174077|0.219611|0.303736|0.500000|
|2.202932|2.121043|2.302128|2.809077|3.058412|3.969721|4.656735|5.409225|6.122875|6.372237|9.437908|8.804582|8.073996|4.361336|22.988854|17.745045|8.670227|8.618227|50.912872|4.317835|3.726446|7.050610|4.035503|2.550216|2.160422|1.926892|2.034940|2.391369|2.626477|0.059507|0.056256|0.059291|0.052704|0.061526|0.060428|0.500000|
|1.918201|1.904990|2.121962|2.512959|2.562358|3.121811|3.247303|3.792955|3.990070|3.627481|5.587227|5.520684|6.812513|3.686346|21.796714|8.673809|17.718948|8.614202|27.534478|2.839217|2.644463|5.106057|3.032573|2.019313|1.762266|1.616513|1.700099|1.919823|2.183653|0.052526|0.048846|0.052820|0.048161|0.058051|0.056747|0.215487|0.500000|
|2.208592|2.210932|2.549586|3.103383|3.082962|3.829768|3.744472|4.160406|4.165724|3.732701|6.296568|6.941053|10.115018|4.952408|29.069957|8.642306|17.759367|8.620410|25.448367|2.677543|2.411206|4.490547|2.811892|1.853984|1.649976|1.502811|1.554618|1.745250|2.515886|0.060982|0.055125|0.060463|0.055429|0.069490|0.068604|0.172445|0.292102|0.500000|
|2.240310|2.137671|2.394670|2.906200|3.057086|3.851174|4.132993|4.747355|5.000756|4.644092|7.310639|6.934298|8.031779|4.436364|24.582631|8.584281|8.636024|17.715561|33.110205|3.323876|2.951081|5.501435|3.361839|2.174827|1.930934|1.717944|1.744915|1.969047|2.584173|0.063233|0.056281|0.057408|0.053749|0.062873|0.065724|0.171565|0.171171|0.211803|0.500000|
|1.939435|1.857264|2.029346|2.403816|2.547578|3.133678|3.494335|4.228128|4.715960|4.458221|6.267474|5.513483|6.045258|3.455359|19.680280|8.590826|8.561562|17.726069|38.330558|3.662880|3.425969|6.798674|3.771134|2.462942|2.123534|1.898107|1.962253|2.235219|2.228758|0.053969|0.049663|0.050731|0.047041|0.053987|0.055071|0.213287|0.209322|0.170507|0.292406|0.500000|
|2.218656|1.973296|1.982805|2.300646|2.684879|3.146902|4.100997|6.560348|9.748133|6.723893|6.206289|3.619003|4.046984|2.837020|16.139172|3.544490|2.824444|3.335986|56.372165|17.624728|8.850843|10.938023|9.672477|4.661668|3.936019|3.031703|2.966015|3.706672|2.655845|0.060746|0.059371|0.054459|0.049783|0.051027|0.052915|0.105242|0.072853|0.070963|0.090778|0.095216|0.500000|
|2.190437|1.979944|1.976470|2.294425|2.676453|3.142722|4.099955|6.532804|9.679125|6.742150|6.232379|3.640134|4.057911|2.836271|16.117111|3.580598|2.820008|3.156211|56.390002|17.616282|8.852406|10.971408|9.597184|4.671302|3.747198|3.011521|3.122122|4.113367|2.644378|0.058602|0.058918|0.055765|0.049726|0.051454|0.051869|0.112260|0.074268|0.070454|0.082680|0.089267|0.303519|0.500000|
|1.794466|1.626428|1.610393|1.806995|2.047404|2.287609|2.762220|4.275255|5.406042|3.762989|4.021267|2.541392|2.984208|2.108970|12.633226|2.570655|2.178845|2.445566|31.813867|7.644013|9.420609|10.870489|26.046298|9.033292|7.168506|4.758889|4.569593|6.369680|2.068881|0.048799|0.049094|0.045428|0.041742|0.042121|0.042995|0.077779|0.058472|0.055238|0.065467|0.071249|0.208262|0.210043|0.500000|
|1.473926|1.367614|1.380086|1.536063|1.686912|1.884689|2.185774|3.166225|3.795569|2.886254|3.290707|2.226684|2.640101|1.813819|11.077320|2.390996|2.119566|2.391140|26.370203|4.714943|7.428414|13.659093|12.691724|17.615529|8.845654|6.771410|6.972541|8.886478|1.659764|0.040479|0.039980|0.038041|0.035434|0.036547|0.037213|0.072668|0.058485|0.053069|0.063046|0.072981|0.121193|0.116443|0.181624|0.500000|
|1.448468|1.328051|1.322985|1.453396|1.600639|1.747810|2.006567|2.971937|3.473971|2.509348|2.901763|1.936520|2.345897|1.654641|10.260979|2.000731|1.788394|2.008891|20.848656|3.791267|4.794256|7.635865|8.970676|8.702729|17.575187|8.625369|5.669195|5.665657|1.611650|0.040046|0.039729|0.036736|0.034656|0.034820|0.035897|0.058911|0.048577|0.045834|0.054626|0.059625|0.109133|0.097107|0.171669|0.217276|0.500000|
|1.502759|1.374489|1.354939|1.486435|1.649027|1.791173|2.068207|3.118859|3.654534|2.571124|2.948421|1.939068|2.351667|1.675240|10.377847|1.972821|1.744738|1.926781|20.799976|3.957794|4.807521|7.189780|9.889674|8.857595|17.501222|8.767813|6.256549|6.826027|1.680373|0.041145|0.041529|0.038311|0.035800|0.035674|0.036489|0.058578|0.047394|0.044864|0.052105|0.056324|0.111864|0.108380|0.222583|0.174622|0.302672|0.500000|
|1.246390|1.160773|1.158751|1.261375|1.368819|1.483480|1.667848|2.419666|2.757986|2.026608|2.415024|1.653364|2.029011|1.425212|8.979091|1.730941|1.583267|1.736713|16.745946|2.825255|3.519240|6.125224|5.913157|6.277254|8.743350|17.571531|8.715865|5.858615|1.370611|0.034329|0.034239|0.032283|0.030464|0.030808|0.031419|0.051243|0.043784|0.040675|0.046716|0.051723|0.077317|0.074922|0.110972|0.173255|0.221914|0.176609|0.500000|
|1.271524|1.180557|1.167348|1.266069|1.380447|1.484700|1.671150|2.456222|2.787567|2.005680|2.384315|1.614028|1.988302|1.411784|8.912545|1.662940|1.509820|1.639182|16.136339|2.789095|3.345394|5.552148|5.828127|5.777882|8.734674|17.577056|8.662039|6.033497|1.398361|0.034839|0.035183|0.032975|0.030998|0.031018|0.031528|0.049267|0.041601|0.039007|0.044158|0.048124|0.076590|0.076675|0.117443|0.137882|0.188822|0.226187|0.304298|0.500000|
|1.246751|1.172460|1.176309|1.287216|1.392881|1.523479|1.715190|2.459545|2.819821|2.115578|2.523099|1.745082|2.127893|1.476917|9.261808|1.860062|1.701597|1.841077|17.964787|2.961515|3.819580|7.029583|6.090171|6.639822|6.073857|8.740068|17.554957|8.821472|1.379507|0.034080|0.034101|0.032838|0.030651|0.031471|0.031690|0.056223|0.047787|0.043276|0.048517|0.055249|0.076779|0.079784|0.108808|0.190136|0.138544|0.135148|0.228603|0.178948|0.500000|
|1.248739|1.172561|1.165375|1.268790|1.377368|1.492694|1.678210|2.434307|2.769803|2.033806|2.427831|1.662112|2.039870|1.433179|9.027234|1.738896|1.582090|1.691985|16.702297|2.810713|3.447669|5.974614|5.686225|5.699922|5.780693|8.632005|17.577943|8.704014|1.379661|0.033958|0.034403|0.032996|0.030692|0.031187|0.031282|0.052450|0.044223|0.040571|0.044781|0.049922|0.073349|0.078766|0.109027|0.139820|0.124881|0.146231|0.184593|0.222989|0.303831|0.500000|
|1.479006|1.375338|1.362666|1.503516|1.660373|1.823843|2.107422|3.121443|3.678411|2.668656|3.066068|2.040884|2.456206|1.725491|10.634987|2.116587|1.864326|2.010028|22.324870|4.115469|5.241394|8.248956|9.629502|8.863836|6.948333|6.531228|8.771682|17.506470|1.667004|0.039953|0.040676|0.038832|0.035643|0.036248|0.036304|0.064887|0.051594|0.047407|0.052871|0.058982|0.103289|0.120320|0.188024|0.174699|0.139652|0.196210|0.135866|0.160382|0.174474|0.219160|0.500000|
|1.430987|1.343331|1.348740|1.496370|1.637920|1.821955|2.097226|3.025398|3.574545|2.710304|3.138538|2.137797|2.551885|1.756625|10.788380|2.291251|2.033834|2.196320|23.995979|4.126476|5.709143|10.380901|8.894455|8.702160|5.648761|5.604936|8.645194|17.580362|1.613001|0.038763|0.038979|0.037866|0.034772|0.036042|0.035990|0.071398|0.057142|0.050999|0.056811|0.065821|0.099460|0.114405|0.149558|0.216554|0.124877|0.138412|0.130992|0.127464|0.219646|0.193812|0.301637|0.500000|
|8.793274|5.498991|4.855353|5.791564|8.918797|6.710925|6.180441|9.172136|6.287029|3.898314|5.835032|3.561015|4.965879|4.637488|29.084052|2.814301|2.426626|2.527938|20.478271|2.769599|2.270955|3.711810|2.892478|1.829925|1.732156|1.528975|1.513279|1.700551|17.582553|0.219394|0.206308|0.139794|0.123081|0.108169|0.122790|0.073804|0.060224|0.068697|0.074030|0.063776|0.082084|0.079451|0.062325|0.049005|0.048160|0.050167|0.040303|0.041145|0.040145|0.040117|0.048808|0.046891|0.500000|
|8.803319|6.542824|5.264327|6.101483|8.947109|6.333391|5.547336|7.832009|5.617204|3.581914|5.424328|3.410375|4.839086|4.543288|29.659730|2.714562|2.355288|2.365873|19.189526|2.584734|2.144979|3.528360|2.736737|1.745818|1.641487|1.467006|1.471875|1.657199|17.517155|0.174026|0.219606|0.194951|0.137484|0.122203|0.120811|0.072513|0.059346|0.066817|0.067411|0.059777|0.073961|0.076213|0.058853|0.046561|0.045048|0.047605|0.038505|0.039604|0.039030|0.039359|0.047930|0.046060|0.305376|0.500000|
1950.393188
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