Version2.4
2021-05-26T06:49:15Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
22-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1cccc(c1)n2c(nnc2SCc3cccc(c3)C(=O)[O-])c4c[nH]c5c4cccc5 C13061749
RHF
6-31G(d)
(6D,7F)
Cc1cccc(c1)n2c(nnc2SCc3cccc(c3)C(=O)[O-])c4c[nH]c5c4cccc5
C01[X(C25H19N4O2S1)]
147
C1
522
Cc1cccc(c1)n1c(nnc1c1c[nH]c2c1cccc2)SCc1cccc(c1)C(=O)[O-]
Cc1cccc(c1)n1c(nnc1c1c[nH]c2c1cccc2)SCc1cccc(c1)C(=O)[O-]
Cc1cccc(c1)n2c(SCc3cccc(c3)C([O-])=O)nnc2c4c[nH]c5ccccc45
InChIKey=YVKOMECSXIHMRC-UHFFFAOYSA-M
InChI=1S/C25H20N4O2S/c1-16-6-4-9-19(12-16)29-23(21-14-26-22-11-3-2-10-20(21)22)27-28-25(29)32-15-17-7-5-8-18(13-17)24(30)31/h2-14,26H,15H2,1H3,(H,30,31)/p-1
InChI=1/C25H20N4O2S/c1-16-6-4-9-19(12-16)29-23(21-14-26-22-11-3-2-10-20(21)22)27-28-25(29)32-15-17-7-5-8-18(13-17)24(30)31/h2-14,26H,15H2,1H3,(H,30,31)/p-1/fC25H19N4O2S/q-1
Cc1cccc(c1)n2c(nnc2SCc3cccc(c3)C(=O)[O-])c4c[nH]c5c4cccc5
C01[X(C25H19N4O2S1)]
147
C01
522
Cc1cccc(c1)n1c(nnc1c1c[nH]c2c1cccc2)SCc1cccc(c1)C(=O)[O-]
C[C]1[CH][CH][CH][C]([CH]1)[N@]1[C]([N][N][C]1[C]1=CN[C]2[C]1[CH][CH][CH][CH]2)SC[C]1[CH][CH][CH][C]([CH]1)[C](=O)=O
C[C]1[CH][CH][CH][C]([CH]1)N2[C]([N][N][C]2C3=CN[C]4[CH][CH][CH][CH][C]34)SC[C]5[CH][CH][CH][C]([CH]5)[C](=O)=O
InChIKey=XFTNGCIQIFXECQ-UHFFFAOYSA-N
InChI=1S/C25H19N4O2S/c1-16-6-4-9-19(12-16)29-23(21-14-26-22-11-3-2-10-20(21)22)27-28-25(29)32-15-17-7-5-8-18(13-17)24(30)31/h2-14,26H,15H2,1H3
InChI=1/C25H19N4O2S/c1-16-6-4-9-19(12-16)29-23(21-14-26-22-11-3-2-10-20(21)22)27-28-25(29)32-15-17-7-5-8-18(13-17)24(30)31/h2-14,26H,15H2,1H3
3034.0517450130
-1722.8430674
1-A
20539.1241
115
407
522
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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10.05072
-29.8302 5.0662 7.0964
31.0784
|XX|YY|ZZ|XY|XZ|YZ|
-403.0507 -188.8959 -211.0278 -33.8529 50.8692 1.9423
|XX|YY|ZZ|XY|XZ|YZ|
-135.3926 78.7622 56.6304 -33.8529 50.8692 1.9423
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-1665.9655 89.5709 43.8839 -39.9310 -53.8565 347.3785 -95.6569 3.6284 10.0080 45.5769
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-33448.7434 -4513.3104 -1427.1560 -1249.2020 2862.5528 57.9201 1.0375 138.6675 33.3042 -4462.0388 -4801.0356 -992.0757 158.2790 6.3052 -184.0897
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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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
4.9179 12.6118 16.7919 29.4134 37.6252 42.6746 50.2720 58.0423 58.9258 67.1972 93.8422 105.7039 132.5541 165.5179 170.1764 187.0114 203.5906 225.6064 238.2794 250.7059 274.4925 291.2640 318.5083 341.0053 358.7118 364.8582 400.6134 421.2755 447.2952 470.9887 476.0359 483.8836 499.9664 505.0201 541.7030 555.7575 557.1099 563.9564 572.1235 623.1502 634.6794 635.8787 677.3731 692.6582 715.6848 735.2766 746.7113 755.8696 771.8898 782.2425 804.9208 809.4439 834.7942 842.4300 852.5743 859.0274 870.7749 894.8665 918.6367 922.6086 953.6694 962.7164 969.4667 969.9172 1001.8247 1012.9882 1039.6655 1040.5200 1040.7276 1069.8846 1072.9755 1086.4454 1089.9607 1098.3590 1108.4694 1111.9373 1114.5310 1116.1175 1127.3030 1162.3777 1174.4716 1183.0632 1201.2935 1202.0939 1210.9028 1211.3160 1220.8900 1232.6720 1239.4973 1245.4844 1267.7189 1300.9899 1323.6559 1324.4650 1331.0737 1343.1469 1366.7686 1381.0701 1395.1651 1406.0959 1420.2411 1434.1469 1454.6023 1461.2319 1494.1889 1523.6046 1552.6161 1567.7604 1582.5445 1590.8726 1603.4425 1626.2822 1629.0413 1632.0589 1641.8984 1646.2952 1660.5691 1670.8755 1681.1171 1692.5709 1768.7625 1780.8590 1791.3652 1796.5816 1799.2648 1813.6385 1826.3654 1919.6332 3208.7709 3268.2897 3279.1461 3279.8681 3323.4059 3337.4200 3347.1793 3347.3604 3355.8523 3361.8624 3375.0696 3376.7195 3382.6565 3393.2351 3395.5001 3407.9424 3421.7439 3472.1544 3925.5618
7.7983 7.6776 4.6916 6.1375 4.3346 5.7723 1.0954 10.8539 4.1331 8.5516 5.8967 6.3330 6.8311 5.6054 6.5594 5.6910 5.0338 3.8022 3.5831 3.7503 5.6747 7.0174 5.0572 4.8412 1.9583 2.6444 6.1468 4.7155 4.5721 3.8612 3.2190 3.3303 3.9652 3.9077 5.9332 7.9170 5.5882 5.0288 6.4825 5.7404 3.1795 6.3838 4.1563 4.2436 5.7362 6.9396 6.5716 4.7825 9.8431 2.1511 2.8697 5.1247 5.5739 1.3218 4.0256 4.1625 5.9749 1.5228 2.1120 4.7643 4.9515 1.4572 1.4823 2.4806 2.0840 1.3105 2.8164 1.6409 1.7554 1.3327 1.4972 2.7544 6.2490 2.5137 1.3400 1.9613 1.3275 1.4358 5.7372 2.9554 1.5405 1.6626 2.6901 2.4103 1.8663 1.8509 1.7750 1.9185 1.9427 1.5696 1.1216 1.9622 1.6537 2.7298 2.8788 1.9268 1.8121 3.7464 2.2230 2.3922 1.8292 1.4516 1.4188 2.2736 3.8915 11.6233 3.0932 1.2492 3.0043 2.5163 3.3834 2.3414 1.1072 1.0522 1.1969 2.3861 3.0775 2.5004 5.9497 7.3967 5.9632 5.7154 5.4878 5.7930 7.6495 5.6651 5.9074 12.3677 1.0364 1.1029 1.0588 1.1036 1.0876 1.1097 1.0869 1.0955 1.0887 1.0926 1.0935 1.0966 1.0934 1.0911 1.0967 1.0926 1.0947 1.0986 1.0812
0.0001 0.0007 0.0008 0.0031 0.0036 0.0062 0.0016 0.0215 0.0085 0.0228 0.0306 0.0417 0.0707 0.0905 0.1119 0.1173 0.1229 0.1140 0.1199 0.1389 0.2519 0.3508 0.3023 0.3317 0.1485 0.2074 0.5812 0.4931 0.5390 0.5047 0.4298 0.4594 0.5840 0.5872 1.0258 1.4407 1.0219 0.9423 1.2502 1.3133 0.7546 1.5208 1.1236 1.1996 1.7311 2.2105 2.1589 1.6099 3.4554 0.7755 1.0954 1.9783 2.2886 0.5527 1.7240 1.8097 2.6692 0.7185 1.0501 2.3894 2.6533 0.7957 0.8208 1.3749 1.2323 0.7923 1.7936 1.0467 1.1202 0.8988 1.0156 1.9155 4.3741 1.7867 0.9700 1.4288 0.9716 1.0538 4.2957 2.3527 1.2519 1.3711 2.2873 2.0521 1.6123 1.6001 1.5589 1.7175 1.7585 1.4345 1.0620 1.9568 1.7071 2.8214 3.0051 2.0481 1.9944 4.2102 2.5494 2.7866 2.1739 1.7591 1.7687 2.8602 5.1190 15.8973 4.3933 1.8090 4.4331 3.7521 5.1251 3.6485 1.7311 1.6513 1.9010 3.8103 4.9999 4.1130 9.9069 12.4848 10.9918 10.6795 10.3756 11.0165 14.5907 10.9790 11.6097 26.8519 6.2872 6.9409 6.7078 6.9947 7.0777 7.2825 7.1745 7.2322 7.2237 7.2757 7.3393 7.3669 7.3713 7.4017 7.4499 7.4768 7.5516 7.8038 9.8165
8.2953 5.8705 0.3236 1.2489 0.1491 4.7945 0.5187 1.3946 0.1343 0.3793 1.0364 2.0541 1.2458 1.7143 2.1001 3.0574 4.1484 0.2914 14.3997 3.0904 0.7141 7.6044 0.8409 0.6036 71.1854 15.3461 7.6988 7.0989 3.5902 4.3860 5.4478 0.0437 5.4387 3.0837 14.1402 2.1976 2.0491 2.5970 4.5930 1.3827 4.2728 13.4048 5.3977 6.5897 0.3977 15.6895 8.3579 12.4496 1.1678 30.5705 55.5835 35.8190 17.8699 72.9707 5.1287 48.5571 63.2306 16.1790 0.7646 12.4266 0.1467 0.2183 3.8848 13.5827 6.3885 3.7151 24.2174 9.0564 3.6348 1.8771 5.4402 1.7281 3.8496 3.9209 0.1221 9.0525 0.2786 1.8731 4.9380 0.9563 4.3373 7.0508 23.5721 17.0017 16.2256 29.9502 17.4620 35.6482 1.2652 8.4115 3.5232 0.7731 1.8572 1.0979 16.6965 0.1708 1.1627 31.3645 42.4870 77.5149 8.4921 10.5846 2.4925 9.1897 2.9504 567.9002 94.7775 1.8514 1.3086 55.7892 73.0520 29.2292 12.5607 4.3996 10.2198 5.4580 41.3359 51.1975 107.9701 111.3196 53.9446 15.7390 10.9377 10.8045 63.2898 34.6683 27.0286 538.4113 31.5182 19.0646 14.9130 26.5378 23.3174 1.2053 1.4887 67.1866 10.3102 33.5663 36.2501 55.0909 1.6302 5.2272 9.1436 9.9373 2.8605 0.1604 100.4807
1.8636 2.8592 3.5159 5.5961 4.3998 0.8318 0.9507 2.6617 4.5907 0.9803 1.8117 1.1448 2.8239 2.8428 2.9318 2.2278 1.0798 4.8654 2.7569 4.6774 1.7406 0.9412 2.7074 0.3664 0.7381 1.6546 3.6621 2.2977 2.3927 1.2366 0.5946 0.1235 0.3540 1.4251 1.0905 2.1816 3.4436 6.8389 1.9031 5.0464 0.4151 7.0292 6.0578 5.6788 7.3859 3.8898 5.2763 23.0704 1.1749 3.3770 28.5399 10.4246 21.4687 1.7548 3.5532 7.9864 12.7303 0.6282 1.2628 2.8180 3.4885 0.6388 4.2029 2.5266 0.9666 1.6639 5.6347 1.5499 1.8389 0.1201 2.0600 12.1564 37.3487 15.9493 0.2591 19.2848 0.3781 4.3900 7.9647 6.1091 0.4157 1.7019 13.4144 11.0610 4.6711 6.7813 1.3429 3.2345 3.7190 9.6507 10.3882 9.2437 6.3800 23.7652 8.4828 6.6321 37.4227 64.3692 6.3748 20.3350 28.4575 22.1263 1.4750 12.1972 57.1090 13.4627 27.1132 9.9529 1.4258 59.2723 43.0630 27.0870 14.4107 19.3307 7.1117 0.4552 10.9573 23.8562 87.9511 73.4831 139.8835 16.2469 42.8613 72.7270 368.2517 33.7474 207.1315 0.6009 134.7251 72.7939 53.6820 70.8678 60.9641 42.9232 57.7824 154.1748 73.2826 122.1621 115.3623 285.3120 45.3910 38.4816 112.5252 128.2986 64.9181 58.2431 112.3636
0.7432 0.7491 0.7477 0.7436 0.7380 0.7179 0.7438 0.7499 0.7488 0.6533 0.6152 0.7211 0.4319 0.6288 0.4039 0.5330 0.7194 0.7430 0.7489 0.6774 0.7288 0.4894 0.6850 0.5750 0.7129 0.7317 0.2529 0.4459 0.6094 0.3703 0.7486 0.5529 0.6782 0.7497 0.7300 0.3498 0.7497 0.3141 0.2594 0.4250 0.7435 0.5307 0.6166 0.6934 0.4181 0.3903 0.4958 0.2252 0.7466 0.5532 0.2822 0.2226 0.0779 0.7427 0.7475 0.7194 0.0928 0.7203 0.1029 0.4565 0.1728 0.6785 0.6963 0.7116 0.5773 0.7417 0.2345 0.5157 0.4075 0.4973 0.6910 0.1115 0.1030 0.0658 0.6908 0.1942 0.7335 0.1976 0.7281 0.0749 0.4747 0.2911 0.5665 0.4129 0.6488 0.7257 0.5005 0.7192 0.5426 0.3493 0.6611 0.4570 0.4241 0.1694 0.7451 0.7365 0.3549 0.1776 0.3628 0.7177 0.2699 0.3194 0.7472 0.2010 0.2235 0.1671 0.0732 0.6153 0.7471 0.6844 0.5474 0.3544 0.6429 0.7470 0.7495 0.3429 0.4829 0.1937 0.4570 0.2897 0.2747 0.3640 0.2324 0.6000 0.2485 0.5037 0.3759 0.5249 0.0160 0.7431 0.0360 0.7465 0.7360 0.7048 0.7167 0.2305 0.6385 0.7078 0.3596 0.1462 0.2859 0.2476 0.1477 0.2317 0.1639 0.3948 0.2135
0.8527 0.8565 0.8556 0.8529 0.8493 0.8358 0.8531 0.8571 0.8563 0.7903 0.7617 0.8379 0.6033 0.7721 0.5754 0.6954 0.8368 0.8525 0.8564 0.8077 0.8431 0.6572 0.8131 0.7301 0.8324 0.8450 0.4037 0.6167 0.7573 0.5404 0.8563 0.7121 0.8083 0.8569 0.8440 0.5183 0.8570 0.4780 0.4119 0.5965 0.8529 0.6934 0.7628 0.8189 0.5896 0.5614 0.6630 0.3676 0.8549 0.7123 0.4402 0.3642 0.1446 0.8523 0.8555 0.8368 0.1698 0.8374 0.1867 0.6269 0.2947 0.8085 0.8209 0.8315 0.7320 0.8517 0.3799 0.6805 0.5790 0.6643 0.8173 0.2007 0.1868 0.1235 0.8171 0.3252 0.8463 0.3300 0.8426 0.1394 0.6438 0.4510 0.7233 0.5845 0.7870 0.8411 0.6672 0.8366 0.7035 0.5178 0.7960 0.6273 0.5956 0.2898 0.8540 0.8483 0.5239 0.3017 0.5324 0.8357 0.4250 0.4842 0.8553 0.3347 0.3653 0.2863 0.1364 0.7619 0.8553 0.8126 0.7075 0.5233 0.7827 0.8552 0.8568 0.5107 0.6513 0.3246 0.6273 0.4492 0.4310 0.5337 0.3771 0.7500 0.3981 0.6699 0.5464 0.6884 0.0316 0.8526 0.0694 0.8548 0.8479 0.8268 0.8350 0.3746 0.7793 0.8289 0.5289 0.2551 0.4446 0.3969 0.2574 0.3763 0.2816 0.5661 0.3518
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
6 6 6 6 6 6 6 7 6 7 7 6 16 6 6 6 6 6 6 6 6 8 8 6 6 7 1 6 6 6 6 6 6 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 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 14.00307 1.00783 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
7453.2396 31790.8721 36165.2979
0.99999 -0.00163 0.00390 0.00166 0.99996 -0.00857 -0.00389 0.00858 0.99996
1
0.01162 0.00272 0.00239
0.24214 0.05677 0.04990
7.08 18.15 24.16 42.32 54.13 61.40 72.33 83.51 84.78 96.68 135.02 152.08 190.72 238.14 244.85 269.07 292.92 324.60 342.83 360.71 394.93 419.06 458.26 490.63 516.11 524.95 576.39 606.12 643.56 677.65 684.91 696.20 719.34 726.61 779.39 799.61 801.56 811.41 823.16 896.57 913.16 914.89 974.59 996.58 1029.71 1057.90 1074.35 1087.53 1110.58 1125.47 1158.10 1164.61 1201.08 1212.07 1226.66 1235.95 1252.85 1287.51 1321.71 1327.43 1372.12 1385.13 1394.85 1395.49 1441.40 1457.46 1495.85 1497.08 1497.37 1539.33 1543.77 1563.15 1568.21 1580.29 1594.84 1599.83 1603.56 1605.84 1621.94 1672.40 1689.80 1702.16 1728.39 1729.54 1742.22 1742.81 1756.59 1773.54 1783.36 1791.97 1823.96 1871.83 1904.45 1905.61 1915.12 1932.49 1966.48 1987.05 2007.33 2023.06 2043.41 2063.42 2092.85 2102.39 2149.80 2192.13 2233.87 2255.66 2276.93 2288.91 2307.00 2339.86 2343.83 2348.17 2362.33 2368.65 2389.19 2404.02 2418.75 2435.23 2544.85 2562.26 2577.37 2584.88 2588.74 2609.42 2627.73 2761.92 4616.71 4702.34 4717.96 4719.00 4781.64 4801.80 4815.84 4816.11 4828.32 4836.97 4855.97 4858.35 4866.89 4882.11 4885.37 4903.27 4923.13 4995.66 5648.01
0.419209
0.444789
0.445733
0.356229
-1722.423859
-1722.398278
-1722.397334
-1722.486838
3.001979D-04
MUNgauss
RevisionA2.1
retrievium
26-May-2021
DUDE Cc1cccc(c1)n2c(nnc2SCc3cccc(c3)C(=O)[O-])c4c[nH]c5c4cccc5 C13061749
RHF
6-31G(d)
(6D,10F)
C1
439.122873
|X|Y|Z|
58.425214 31.630544 126.982163
61.680786
28
|36.858105|
|12.609099|36.858105|
|7.527141|13.723321|36.858105|
|5.002087|7.885465|13.731845|36.858105|
|4.419151|6.802304|7.930152|13.785010|36.858105|
|5.023404|7.902501|6.915668|7.986568|13.739591|36.858105|
|7.571632|13.690047|7.983537|6.895532|7.914645|13.775307|36.858105|
|3.855750|5.136719|4.556939|5.160548|7.829917|13.360333|7.850911|53.358707|
|3.206589|4.016600|3.686713|4.161446|5.788978|7.523282|5.464571|18.865738|36.858105|
|2.753247|3.288403|3.026975|3.346549|4.376924|5.348966|4.272767|11.935197|14.843114|53.358707|
|2.817248|3.342584|3.038351|3.317640|4.302149|5.364148|4.376396|11.908319|8.861087|18.993931|53.358707|
|3.380195|4.188197|3.725131|4.079803|5.536081|7.625548|5.852695|18.927885|8.815399|12.131337|20.228550|36.858105|
|3.499675|4.179302|3.706199|3.890257|4.794679|6.002981|5.382796|9.454191|4.934587|6.714533|9.483267|10.841686|388.023441|
|2.763514|3.071022|2.751639|2.833414|3.321133|3.938711|3.726691|6.367977|3.940749|5.951525|8.603710|6.884497|73.706463|36.858105|
|2.612644|2.800610|2.533460|2.553326|2.858016|3.259714|3.217810|4.863442|3.052017|4.431217|5.745607|4.627313|49.677453|12.620664|36.858105|
|2.288756|2.455356|2.293852|2.345099|2.589782|2.828612|2.739581|4.152091|2.665867|3.867835|4.853074|3.803641|37.778772|7.571073|13.710567|36.858105|
|2.126058|2.226547|2.094186|2.110229|2.267117|2.436424|2.411399|3.471639|2.256180|3.219142|3.872193|3.029587|28.552614|5.027722|7.929240|13.744686|36.858105|
|2.196374|2.240134|2.077146|2.046132|2.164817|2.349509|2.396165|3.291973|2.136885|3.010623|3.561488|2.811869|26.185964|4.445595|6.863054|7.928578|13.747448|36.858105|
|2.476508|2.490631|2.248011|2.177517|2.310650|2.574930|2.692783|3.606247|2.316040|3.246806|3.861568|3.090955|29.216383|5.008598|7.858980|6.818508|7.894686|13.706574|36.858105|
|2.743084|2.823593|2.500517|2.439164|2.656740|3.053757|3.175450|4.392592|2.768461|3.920637|4.841353|3.934637|39.500861|7.567708|13.700018|7.945082|6.904943|7.985634|13.730975|36.858105|
|2.456353|2.378571|2.130446|2.019791|2.100596|2.335484|2.510404|3.207411|2.085218|2.883701|3.322397|2.647390|23.599435|3.760001|4.956134|4.386300|4.963272|7.445008|12.296498|7.463154|36.858105|
|2.193157|2.117663|1.931811|1.837329|1.890274|2.061546|2.196938|2.812409|1.849106|2.552970|2.900294|2.289207|19.942137|3.115971|3.991447|3.817370|4.570140|6.844935|8.108930|5.277023|15.479204|73.516695|
|2.691306|2.551460|2.233970|2.086982|2.169833|2.455630|2.704018|3.362593|2.185457|3.002225|3.431366|2.745060|23.932067|3.729655|4.572639|3.821357|3.999823|5.268832|8.106628|6.863242|15.472358|15.164827|73.516695|
|3.061154|3.779620|3.582606|4.044633|5.275390|6.050291|4.762682|10.239212|13.022975|10.685268|7.272794|5.304534|25.917863|3.030706|2.481547|2.216906|1.928523|1.846232|1.987460|2.308846|1.829244|2.922086|3.415981|36.858105|
|3.405557|4.237857|4.058393|4.479751|5.460774|5.999091|5.084926|8.239407|7.496897|7.045745|5.544685|4.305492|23.099322|2.673859|2.263715|2.029702|1.796940|1.742759|1.881533|2.154471|1.760687|2.825923|3.307349|14.054862|36.858105|
|2.856092|3.370833|3.328321|3.627353|4.116060|4.228969|3.774947|5.817041|5.206818|5.599503|4.481297|3.347639|18.829599|2.268067|1.958090|1.783030|1.597751|1.551565|1.660679|1.872024|1.566978|2.540772|2.932480|8.538076|13.945007|53.358707|
|2.819035|3.254283|3.255936|3.467207|3.733076|3.753643|3.489653|4.952968|4.171799|4.639713|3.867015|2.921555|17.061227|2.066593|1.814033|1.659759|1.502123|1.467286|1.568853|1.751172|1.493608|2.433751|2.798021|5.990413|9.081721|26.136123|0.500000|
|2.439045|2.833936|2.796638|3.081560|3.562343|3.662960|3.210161|5.397737|5.149626|5.948346|4.581492|3.254030|18.046275|2.236919|1.917225|1.758572|1.569603|1.512076|1.607174|1.812378|1.506605|2.448543|2.802530|8.332321|8.530055|18.898587|0.250561|36.858105|
|2.500820|2.953137|2.867839|3.207809|3.916388|4.172686|3.496542|6.735280|7.369352|8.539747|5.939619|4.040566|21.068191|2.608855|2.175129|1.981219|1.740197|1.660936|1.767411|2.022593|1.634110|2.637221|3.032681|13.124728|8.480681|11.601598|0.165634|13.629069|36.858105|
|2.156585|2.491861|2.427078|2.699327|3.241156|3.418263|2.910824|5.620155|5.825502|8.166286|5.772887|3.689366|19.619178|2.538433|2.115757|1.950416|1.710350|1.618906|1.706885|1.946467|1.569517|2.543637|2.891169|7.256886|5.246491|7.298535|0.118689|7.897151|13.615031|36.858105|
|1.904995|2.157402|2.123897|2.336117|2.701559|2.782618|2.443418|4.348669|4.119386|5.723463|4.445979|2.913914|16.368766|2.155334|1.841977|1.719393|1.529273|1.453027|1.522453|1.710591|1.412508|2.308996|2.595837|5.005938|4.173896|6.333766|0.109483|6.948921|7.980201|13.848098|36.858105|
|1.879924|2.112719|2.097715|2.289421|2.580180|2.618233|2.342466|3.920810|3.576577|4.707861|3.782468|2.574993|14.834455|1.931588|1.678004|1.568262|1.410108|1.350793|1.417118|1.578475|1.328445|2.180348|2.448550|4.542305|4.185706|7.027810|0.126293|8.056203|6.866281|7.868275|13.573510|36.858105|
|2.085378|2.359814|2.350484|2.560921|2.865421|2.895218|2.601517|4.218746|3.827889|4.746044|3.809539|2.672111|15.367818|1.955524|1.702178|1.580005|1.423314|1.371671|1.447477|1.613649|1.363585|2.233401|2.526226|5.252694|5.293634|10.344351|0.184976|13.668165|7.786922|6.737047|7.871163|13.857282|36.858105|
|17.552431|8.865953|6.020991|4.361624|3.983612|4.562804|6.566160|4.976193|3.008061|3.612706|3.803454|3.367510|26.302425|2.943277|2.856658|2.480545|2.324327|2.441115|2.796196|3.078818|2.807402|4.415032|5.522243|2.789953|2.993116|3.445965|0.068768|2.218052|2.306987|2.028099|1.793563|1.753060|1.915917|0.500000|
|17.557872|8.834295|5.747474|4.235967|3.951085|4.646305|6.900965|5.112965|3.228389|3.783369|3.810031|3.284485|23.324408|2.678647|2.506932|2.179314|2.021606|2.096294|2.381665|2.650031|2.387627|3.778139|4.725530|3.131941|3.525496|4.045271|0.081881|2.521738|2.566446|2.202516|1.949152|1.932077|2.153754|0.302482|0.500000|
|17.573898|8.838411|7.195782|4.726775|3.951330|4.176257|5.587009|4.456280|2.805138|3.307961|3.352499|2.891105|21.245005|2.415376|2.315085|2.071874|1.950275|2.013759|2.234262|2.421072|2.234307|3.611319|4.299535|2.744679|3.087205|3.636518|0.074661|2.280658|2.296527|1.991556|1.783962|1.779075|1.977823|0.301562|0.301407|0.500000|
|6.972982|8.924213|17.704540|8.930355|5.649575|4.973158|5.662690|4.932880|3.060226|3.520475|3.533215|3.088483|22.296504|2.426618|2.286770|2.100169|1.951686|1.950442|2.095850|2.282657|2.015201|3.288912|3.744515|3.028024|3.430000|4.011535|0.081945|2.499251|2.515552|2.161736|1.927434|1.923020|2.149112|0.157521|0.147291|0.219875|0.500000|
|4.082429|5.626619|8.914419|17.716711|8.938169|5.666139|4.963662|5.685190|3.564368|4.026296|3.972193|3.459189|23.734242|2.528242|2.313260|2.171211|1.975022|1.905838|1.997643|2.202032|1.856954|3.039617|3.378087|3.550906|3.901747|4.541515|0.090057|2.885100|2.951656|2.528710|2.230055|2.204172|2.454541|0.101268|0.097885|0.112517|0.215811|0.500000|
|3.537931|4.916818|5.631256|8.878657|17.736459|8.926745|5.643324|9.801568|5.895777|6.219864|5.999407|5.392086|32.033360|3.233701|2.760047|2.553164|2.222286|2.087648|2.192595|2.510362|1.974711|3.181173|3.586694|5.403762|5.231618|5.580347|0.101607|3.706445|4.165955|3.508302|2.904656|2.738049|2.998702|0.090757|0.090052|0.089999|0.123998|0.213935|0.500000|
|7.007762|8.882501|5.657177|4.964400|5.649065|8.968215|17.722611|9.878915|5.340377|5.957328|6.214807|5.967056|39.069587|4.007092|3.426298|2.829735|2.484134|2.502528|2.882608|3.466735|2.711317|4.150013|5.317585|4.536963|4.680356|4.834264|0.090990|3.085618|3.393014|2.869814|2.409618|2.294563|2.522889|0.181591|0.200355|0.140855|0.124134|0.107717|0.124514|0.500000|
|2.463857|2.760913|2.540766|2.678104|3.166520|3.631926|3.309630|6.018889|3.910375|6.181211|9.119500|6.475891|56.391159|17.651291|8.811572|7.160104|4.724799|3.967264|4.172224|5.609379|3.211757|4.903321|5.576784|3.009414|2.604200|3.042281|0.056300|2.245896|2.649609|2.642324|2.241634|1.981175|1.977998|0.071636|0.066444|0.060747|0.062569|0.067444|0.088505|0.096329|0.500000|
|2.785663|3.043832|2.668081|2.704424|3.159938|3.851902|3.748091|6.362353|4.074463|6.281246|8.950778|6.688929|56.625784|17.642651|8.824238|5.685089|4.222680|3.975509|4.682348|7.029693|3.722188|5.419331|6.853476|3.132798|2.753796|3.177391|0.058953|2.306302|2.697376|2.623440|2.221215|1.987635|2.012408|0.082006|0.076784|0.067114|0.065396|0.066654|0.084525|0.116899|0.301964|0.500000|
|2.165780|2.362135|2.244088|2.342978|2.617916|2.810809|2.644479|4.190000|2.725162|4.006829|5.050125|3.864473|36.586193|7.013374|8.894083|17.673727|8.898463|5.636602|4.920274|5.641279|3.514153|5.601823|5.606605|2.259364|2.045483|2.454066|0.046430|1.794992|2.036350|2.026584|1.784737|1.615865|1.616656|0.064164|0.057261|0.054784|0.056951|0.060786|0.073229|0.074721|0.216896|0.144749|0.500000|
|1.934565|2.028724|1.938600|1.968369|2.100408|2.215055|2.172624|3.141901|2.068875|2.949737|3.487286|2.694987|24.389600|4.096824|5.640938|8.921527|17.679025|8.899717|5.622592|4.965542|4.054522|7.030182|5.925259|1.790164|1.671447|2.041056|0.039269|1.479328|1.632702|1.614435|1.454763|1.343535|1.351047|0.058219|0.051049|0.049855|0.050580|0.051812|0.057789|0.061460|0.112228|0.097323|0.215090|0.500000|
|2.034422|2.049703|1.916483|1.879163|1.961577|2.103388|2.155572|2.914916|1.912357|2.678200|3.104590|2.434974|21.872815|3.555309|4.949540|5.629810|8.860393|17.748536|9.004455|5.688976|7.018323|13.895502|8.639519|1.677782|1.596762|1.951928|0.037885|1.396884|1.521110|1.483983|1.343252|1.255945|1.275402|0.062722|0.053989|0.052441|0.050577|0.049037|0.052600|0.062200|0.090302|0.090588|0.123688|0.212808|0.500000|
|3.014396|3.050311|2.623664|2.514824|2.739906|3.237292|3.478009|4.650435|2.922547|4.100833|5.007953|4.104350|39.333457|6.966530|8.856470|5.635613|4.969961|5.690528|9.025732|17.730584|7.057007|8.671539|14.002388|2.437032|2.287370|2.687521|0.051311|1.897763|2.114310|2.014602|1.764162|1.633291|1.680000|0.094769|0.082225|0.072655|0.066174|0.062298|0.070811|0.109563|0.141399|0.206930|0.123701|0.107761|0.125522|0.500000|
|4.146340|5.366065|5.032052|5.338156|6.239761|7.021644|6.361406|8.307123|6.409412|6.159519|5.210121|4.268756|23.907936|2.695543|2.312140|2.060696|1.834812|1.795078|1.951427|2.230318|1.838975|2.944934|3.474395|8.664601|17.832460|12.267683|0.214227|5.887695|5.774228|4.081185|3.382466|3.410756|4.183390|0.097555|0.119596|0.103293|0.114911|0.123486|0.151227|0.155059|0.071537|0.076837|0.057104|0.047225|0.045725|0.066231|0.500000|
|2.128928|2.458824|2.377068|2.644100|3.216352|3.444998|2.909608|5.919382|6.176293|9.988332|6.831430|4.094194|21.302761|2.814372|2.302793|2.122008|1.838997|1.725150|1.814766|2.086709|1.650532|2.666302|3.027741|6.467021|4.563321|5.919668|0.099174|5.627139|8.879748|17.765484|8.901247|5.603118|4.884763|0.056319|0.060078|0.054259|0.058623|0.068510|0.097292|0.080461|0.082985|0.080844|0.061771|0.048146|0.043678|0.059676|0.103121|0.500000|
|1.741684|1.952893|1.923123|2.104983|2.413089|2.480900|2.197664|3.875454|3.557370|5.143669|4.144405|2.682562|15.368535|2.068737|1.778464|1.674199|1.492493|1.413184|1.471975|1.646333|1.363659|2.237200|2.494771|4.032465|3.409260|5.017003|0.089624|4.991209|5.660454|8.969290|17.713469|8.883116|5.631797|0.045969|0.049364|0.045423|0.048810|0.056154|0.072124|0.060541|0.060379|0.059125|0.048503|0.039620|0.036362|0.046893|0.079549|0.214571|0.500000|
|1.708566|1.895822|1.889586|2.046215|2.265897|2.283940|2.072465|3.373601|2.979017|3.973830|3.296995|2.254411|13.299194|1.751540|1.539649|1.448968|1.312298|1.259000|1.315456|1.453692|1.238221|2.042696|2.277173|3.616229|3.420807|5.631215|0.106474|5.692104|4.947858|5.627581|8.874119|17.705871|8.978255|0.044450|0.048741|0.045243|0.048653|0.055232|0.066537|0.056527|0.049954|0.049974|0.041466|0.034885|0.032667|0.041660|0.080393|0.123713|0.215483|0.500000|
|2.011957|2.246978|2.254559|2.427098|2.640628|2.638788|2.421619|3.733866|3.252613|4.022393|3.334733|2.377660|14.025041|1.786192|1.575400|1.467354|1.332940|1.291025|1.361204|1.505546|1.291666|2.124551|2.394597|4.289930|4.614927|9.136080|0.188085|8.824708|5.566916|4.879934|5.599250|8.894585|17.702845|0.051146|0.057849|0.053620|0.058058|0.065270|0.075847|0.065088|0.049902|0.050964|0.041545|0.035227|0.033506|0.043552|0.106892|0.106345|0.123718|0.214789|0.500000|
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