Version2.1
2021-01-06T16:50:08Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
15-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1ccc(cc1)SCCNC(=O)CN(c2cccc(c2)[N+](=O)[O-])S(=O)(=O)c3ccccc3 C02982602
RHF
6-31G(d)
(6D,7F)
Cc1ccc(cc1)SCCNC(=O)CN(c2cccc(c2)[N+](=O)[O-])S(=O)(=O)c3ccccc3
C01[X(C23H23N3O5S2)]
162
C1
549
O=C(CN(S(=O)(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-])NCCSc1ccc(cc1)C
O=C(CN(S(=O)(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-])NCCSc1ccc(cc1)C
Cc1ccc(SCCNC(=O)CN(c2cccc(c2)[N+]([O-])=O)[S](=O)(=O)c3ccccc3)cc1
InChIKey=LDKOYDBHOGAFGO-UHFFFAOYSA-N
InChI=1S/C23H23N3O5S2/c1-18-10-12-21(13-11-18)32-15-14-24-23(27)17-25(19-6-5-7-20(16-19)26(28)29)33(30,31)22-8-3-2-4-9-22/h2-13,16H,14-15,17H2,1H3,(H,24,27)
InChI=1/C23H23N3O5S2/c1-18-10-12-21(13-11-18)32-15-14-24-23(27)17-25(19-6-5-7-20(16-19)26(28)29)33(30,31)22-8-3-2-4-9-22/h2-13,16H,14-15,17H2,1H3,(H,24,27)/f/h24H
Cc1ccc(cc1)SCCNC(=O)CN(c2cccc(c2)[N+](=O)[O-])S(=O)(=O)c3ccccc3
C01[X(C23H23N3O5S2)]
162
C01
549
O=C(CN(S(=O)(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-])NCCSc1ccc(cc1)C
O=C(CN([S@]([O])(=O)[C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][C]([CH]1)[N]([O])[O])NCCS[C]1[CH][CH][C]([CH][CH]1)C
C[C]1[CH][CH][C]([CH][CH]1)SCCNC(=O)CN([C]2[CH][CH][CH][C]([CH]2)N([O])[O])[S]([O])(=O)[C]3[CH][CH][CH][CH][CH]3
InChIKey=LDKOYDBHOGAFGO-UHFFFAOYSA-N
InChI=1S/C23H23N3O5S2/c1-18-10-12-21(13-11-18)32-15-14-24-23(27)17-25(19-6-5-7-20(16-19)26(28)29)33(30,31)22-8-3-2-4-9-22/h2-13,16H,14-15,17H2,1H3,(H,24,27)
InChI=1/C23H23N3O5S2/c1-18-10-12-21(13-11-18)32-15-14-24-23(27)17-25(19-6-5-7-20(16-19)26(28)29)33(30,31)22-8-3-2-4-9-22/h2-13,16H,14-15,17H2,1H3,(H,24,27)/f/h24H
3597.1694353610
-2216.8712523
1-A
25412.7835
127
422
549
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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10.50079
-5.7736 1.0769 -3.2340
6.7047
|XX|YY|ZZ|XY|XZ|YZ|
-227.5420 -219.6347 -190.2284 -35.0498 -27.3755 4.0340
|XX|YY|ZZ|XY|XZ|YZ|
-15.0736 -7.1663 22.2399 -35.0498 -27.3755 4.0340
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-276.9352 -26.7460 -2.0156 -77.0832 -39.1189 -110.3637 -19.6146 -4.0906 -51.8088 30.5576
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-26619.3429 -5781.4108 -2253.8334 -2158.7038 -576.8176 -349.8002 10.5779 -99.7069 39.4886 -5935.6415 -4701.8716 -1211.4373 -44.9500 -158.4023 -45.5403
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
-18.0270 6.5113 9.1317 18.8883 19.4378 26.5736 28.8858 34.8195 40.9229 50.0290 60.8504 73.4070 83.4932 90.9472 104.4871 117.5299 157.5741 169.4251 191.0474 196.4037 207.8597 243.6391 258.8548 263.3584 279.2335 308.6127 320.2179 332.0788 347.6934 351.3143 383.9975 399.0275 412.1610 423.2844 441.9343 446.5423 450.2344 459.6889 459.9815 486.9075 506.1494 525.9848 569.1217 577.4135 595.2285 623.6404 638.8671 665.0725 673.0204 679.2077 687.8267 700.6182 729.5887 758.6357 763.6905 785.1480 788.9569 799.7215 837.2503 849.7951 855.7424 866.2020 870.5798 872.8461 923.5689 926.2742 949.4900 953.0520 962.2506 995.8232 1021.1093 1070.0004 1074.4578 1086.5800 1089.7148 1089.8585 1094.7483 1098.3027 1103.1081 1110.4429 1115.5570 1119.3116 1123.9542 1130.8622 1138.5963 1143.1121 1145.0439 1173.7174 1178.6394 1186.2364 1194.6974 1194.9819 1201.4459 1211.4336 1218.4308 1227.9611 1242.8322 1261.2408 1266.1066 1290.5776 1307.1644 1308.4468 1326.4400 1327.0506 1333.6628 1347.2635 1362.5145 1392.2337 1402.5166 1436.7881 1452.3827 1453.2480 1464.4836 1475.8295 1480.2222 1551.9142 1554.5773 1567.4474 1567.6515 1596.7315 1611.6125 1619.2210 1631.8494 1634.7545 1638.3030 1641.6744 1644.1870 1659.5532 1660.2876 1674.4292 1719.4514 1758.5336 1778.1712 1784.7895 1794.7902 1798.0475 1808.1260 1868.6811 1938.6960 3205.0573 3248.8791 3256.9625 3258.5235 3261.3244 3284.2154 3302.2084 3312.3263 3322.2093 3353.1398 3359.7533 3367.7794 3383.7593 3385.5800 3388.0406 3389.1359 3393.7074 3413.3782 3424.2266 3425.3602 3440.7791 3454.1012 3891.1167
1.0341 5.6967 7.4435 6.3972 4.7321 4.9458 5.5160 6.1507 5.8657 8.5558 4.7444 5.5756 6.7694 6.1403 2.8108 5.3746 5.5624 5.3796 6.3079 6.1281 6.1441 4.5228 5.4247 4.9492 5.0951 4.0295 4.7770 7.1603 8.2723 4.4806 3.4550 2.9289 3.7761 4.9779 6.5392 4.9434 3.0639 2.3121 2.0203 3.3614 6.8259 5.1891 2.8358 5.7745 6.7317 3.7407 5.8202 5.6872 6.2410 6.6234 5.5537 6.9512 5.8653 2.3170 2.5181 3.2627 3.2593 4.5368 2.1247 2.8325 1.7891 2.7658 5.1218 5.8210 1.4079 1.6212 5.6955 1.2462 1.2475 3.0905 3.7106 1.5019 1.3592 1.3538 1.5851 5.5984 4.3063 1.5172 1.3613 4.2395 3.4202 1.3945 2.8258 2.7147 1.3378 1.3941 1.4710 1.5432 2.8977 1.8209 2.4151 2.5297 1.7266 3.3991 2.4101 2.0866 2.2766 5.1164 6.0464 2.6385 1.1871 1.1769 2.7653 1.6691 1.4125 1.6441 1.9295 1.9120 1.3162 1.5533 1.3057 4.4848 1.1046 1.3316 1.8153 1.3632 2.3148 1.2569 1.4205 3.1224 2.1178 1.0828 1.0464 1.0918 1.0884 6.5209 1.1342 2.2251 2.4978 2.3121 2.0149 5.5234 5.8367 5.2247 4.9273 6.0589 5.4455 11.7301 8.9019 1.0381 1.0604 1.0635 1.1018 1.0616 1.1024 1.1045 1.1065 1.1087 1.0902 1.0901 1.0883 1.0924 1.0947 1.0953 1.0914 1.0968 1.0959 1.0943 1.0950 1.0947 1.0942 1.0791
0.0002 0.0001 0.0004 0.0013 0.0011 0.0021 0.0027 0.0044 0.0058 0.0126 0.0104 0.0177 0.0278 0.0299 0.0181 0.0437 0.0814 0.0910 0.1356 0.1393 0.1564 0.1582 0.2142 0.2022 0.2341 0.2261 0.2886 0.4652 0.5892 0.3258 0.3002 0.2748 0.3779 0.5255 0.7525 0.5808 0.3659 0.2879 0.2519 0.4695 1.0303 0.8458 0.5412 1.1343 1.4052 0.8572 1.3996 1.4821 1.6656 1.8003 1.5481 2.0104 1.8395 0.7857 0.8653 1.1850 1.1953 1.7095 0.8775 1.2052 0.7719 1.2226 2.2871 2.6129 0.7076 0.8195 3.0253 0.6669 0.6806 1.8057 2.2795 1.0131 0.9245 0.9418 1.1090 3.9179 3.0407 1.0783 0.9760 3.0801 2.5078 1.0294 2.1033 2.0455 1.0218 1.0733 1.1363 1.2526 2.3717 1.5097 2.0309 2.1283 1.4684 2.9391 2.1081 1.8538 2.0718 4.7953 5.7107 2.5893 1.1950 1.1872 2.8666 1.7318 1.4803 1.7583 2.1105 2.1835 1.5254 1.8892 1.6227 5.5805 1.3958 1.7088 2.3435 1.9344 3.2961 1.8194 2.0568 4.6904 3.2408 1.6727 1.6417 1.7191 1.7213 10.3545 1.8066 3.6107 4.0567 3.8193 3.5098 10.0637 10.8734 9.8058 9.3515 11.5411 10.4892 24.1336 19.7130 6.2829 6.5945 6.6470 6.8928 6.6528 7.0058 7.0965 7.1526 7.2100 7.2224 7.2498 7.2724 7.3695 7.3928 7.4077 7.3860 7.4424 7.5230 7.5600 7.5694 7.6362 7.6914 9.6266
0.1034 0.0675 0.1535 1.0942 0.5724 3.3711 0.4284 0.9274 0.1664 2.5714 4.3453 8.1589 0.9077 1.6509 4.4039 0.7143 7.1799 1.2824 1.7798 1.8885 2.2610 3.0493 1.4354 0.0402 1.7535 6.7741 12.6841 2.0730 6.0392 2.1502 45.2935 0.2375 17.7132 21.4693 1.2629 12.6754 1.0659 25.5101 40.6128 0.0946 2.8800 5.1707 23.3321 0.5758 26.9254 23.4999 60.4046 113.2129 3.1239 9.6153 1.3343 0.0482 36.9049 44.3122 80.7181 4.4462 3.6424 80.6676 20.0495 6.6195 19.0757 31.7376 7.9211 39.7722 41.6062 5.3998 143.3279 0.0438 1.6294 2.8723 70.9571 14.4127 0.7980 0.7231 0.7290 1.3597 0.5894 0.7166 0.0247 12.4155 7.3038 1.3784 1.9019 9.0822 0.1878 0.1703 1.5165 3.5882 22.9429 0.7932 25.4695 22.5069 9.7159 1.1376 65.2838 11.4000 34.6829 117.5825 232.9026 2.4167 2.4434 3.7814 7.7391 13.8532 29.2831 5.1157 291.3388 74.3179 2.1080 41.2675 0.6763 183.4219 13.0292 0.4362 91.3445 16.2402 5.8876 1.3630 25.2205 12.2942 26.8400 12.8082 4.8270 9.5018 8.3323 392.3094 14.7260 4.3171 15.8364 27.4853 391.6070 0.4446 50.7632 2.1285 13.7590 113.6999 5.8733 334.0824 271.3446 39.6731 14.1327 32.6933 29.6781 17.6011 22.8896 1.0441 10.7953 18.6641 18.8877 17.6231 2.3419 17.4996 18.9873 1.8614 8.0314 20.5671 2.0292 1.4004 6.7247 1.3288 11.2282 50.6243
0.3629 1.5029 2.0654 4.9887 3.6214 1.7156 3.2553 8.2678 4.9339 0.8428 0.8146 0.8214 0.8633 1.5815 1.0037 2.5678 1.9472 0.4383 1.7023 2.3915 1.7477 4.2774 3.0158 0.2979 2.3979 0.8443 1.1112 1.7369 4.8612 2.4131 1.0011 0.2107 2.4640 2.5158 3.5896 1.7374 0.2204 0.6809 0.8458 0.4232 1.4720 0.2139 0.4507 0.2607 1.6214 0.9679 0.8882 2.0332 5.9607 1.1174 1.0007 6.5804 6.9438 0.3407 1.1232 2.8813 0.0774 3.7098 6.1227 3.7906 2.3900 26.0909 34.0906 10.9246 0.7266 1.2495 3.5368 2.6527 1.7493 13.9579 2.6877 0.6777 1.0304 1.5301 4.9312 29.3534 26.8864 3.6795 0.0206 7.3599 0.4781 0.2972 8.4729 8.5337 0.1347 1.0408 4.1307 0.1627 1.5463 0.2102 2.4564 1.3600 3.9283 23.3175 3.8232 4.9042 6.5650 7.8984 17.7446 0.8298 3.0815 4.7941 6.6584 1.4419 3.9650 1.0415 9.3438 5.1850 3.3631 3.3272 2.1753 2.5283 13.3990 0.6612 16.4401 1.0469 0.5626 18.6353 1.1561 1.4053 0.4763 10.4415 20.6809 39.7913 16.3415 96.1186 4.7341 3.6283 9.3732 1.3744 3.7738 4.3565 32.3052 7.2475 25.9807 28.6499 77.9012 1.0591 9.2907 181.7820 68.6419 62.6973 106.7454 70.2059 64.9961 57.9489 45.6045 6.1148 89.5169 69.5943 59.1630 97.7602 24.5465 147.8578 68.9308 171.9920 65.6563 46.8429 118.3719 84.4770 25.1271 50.3106
0.7485 0.7343 0.7498 0.7469 0.7499 0.7499 0.7323 0.7285 0.7485 0.6076 0.7354 0.7447 0.7367 0.6452 0.6038 0.6187 0.4346 0.7361 0.6497 0.5014 0.1994 0.6317 0.6328 0.5096 0.7137 0.5261 0.7039 0.7449 0.2401 0.3248 0.7052 0.5148 0.5317 0.6601 0.2007 0.7480 0.3409 0.7451 0.7495 0.7483 0.3504 0.6499 0.7459 0.6588 0.7444 0.7260 0.1582 0.3811 0.7352 0.4633 0.6301 0.7474 0.0999 0.4999 0.1581 0.3131 0.3632 0.1286 0.2415 0.4862 0.6576 0.4724 0.0571 0.3033 0.3100 0.7479 0.7032 0.7485 0.6882 0.1855 0.4937 0.7375 0.4771 0.6989 0.5829 0.0915 0.1016 0.2490 0.3039 0.1926 0.4567 0.3378 0.1671 0.3204 0.1942 0.7485 0.7090 0.3764 0.7397 0.1568 0.3044 0.7460 0.3179 0.1400 0.7140 0.7499 0.3078 0.7336 0.0474 0.6444 0.7448 0.1654 0.1575 0.5023 0.5056 0.7163 0.2618 0.0794 0.5644 0.5124 0.7396 0.6716 0.7489 0.7315 0.2597 0.5250 0.7499 0.4609 0.2823 0.5061 0.7450 0.7286 0.7474 0.5445 0.7196 0.2090 0.2408 0.3702 0.2232 0.6213 0.5031 0.7413 0.5341 0.7400 0.6329 0.7490 0.5101 0.2976 0.3625 0.0437 0.0920 0.1889 0.7253 0.0654 0.7490 0.7500 0.7078 0.6148 0.4280 0.4483 0.7475 0.7402 0.3086 0.1715 0.5242 0.1270 0.1782 0.1929 0.1825 0.2302 0.2422 0.1755
0.8561 0.8468 0.8570 0.8551 0.8571 0.8570 0.8455 0.8429 0.8562 0.7559 0.8475 0.8537 0.8484 0.7843 0.7529 0.7644 0.6059 0.8480 0.7876 0.6679 0.3325 0.7743 0.7751 0.6751 0.8329 0.6895 0.8262 0.8538 0.3872 0.4904 0.8271 0.6797 0.6943 0.7953 0.3343 0.8558 0.5085 0.8539 0.8568 0.8560 0.5190 0.7878 0.8545 0.7943 0.8535 0.8413 0.2732 0.5519 0.8474 0.6332 0.7731 0.8555 0.1817 0.6666 0.2730 0.4769 0.5329 0.2279 0.3890 0.6543 0.7934 0.6416 0.1080 0.4655 0.4732 0.8558 0.8257 0.8562 0.8153 0.3129 0.6610 0.8489 0.6460 0.8228 0.7365 0.1677 0.1844 0.3987 0.4662 0.3230 0.6270 0.5050 0.2863 0.4853 0.3252 0.8562 0.8297 0.5469 0.8504 0.2711 0.4668 0.8546 0.4824 0.2457 0.8331 0.8571 0.4707 0.8463 0.0905 0.7837 0.8537 0.2839 0.2722 0.6687 0.6716 0.8347 0.4150 0.1472 0.7216 0.6776 0.8503 0.8035 0.8564 0.8450 0.4123 0.6886 0.8571 0.6310 0.4403 0.6721 0.8539 0.8430 0.8554 0.7051 0.8369 0.3457 0.3882 0.5404 0.3650 0.7664 0.6694 0.8514 0.6963 0.8506 0.7752 0.8565 0.6756 0.4587 0.5321 0.0837 0.1686 0.3177 0.8408 0.1228 0.8565 0.8571 0.8289 0.7615 0.5994 0.6190 0.8555 0.8507 0.4717 0.2928 0.6879 0.2253 0.3025 0.3234 0.3087 0.3743 0.3900 0.2986
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 55 56
6 6 6 6 6 6 6 16 6 6 7 6 8 6 7 6 6 6 6 6 6 7 8 8 16 8 8 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
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 31.97207 15.99491 15.99491 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
10526.7721 39460.1222 43825.4796
0.99990 -0.01365 -0.00207 0.01364 0.99991 -0.00060 0.00208 0.00057 1.00000
1
0.00823 0.00219 0.00198
0.17144 0.04574 0.04118
9.37 13.14 27.18 27.97 38.23 41.56 50.10 58.88 71.98 87.55 105.62 120.13 130.85 150.33 169.10 226.71 243.76 274.87 282.58 299.06 350.54 372.43 378.91 401.75 444.02 460.72 477.79 500.25 505.46 552.49 574.11 593.01 609.01 635.84 642.47 647.79 661.39 661.81 700.55 728.24 756.77 818.84 830.77 856.40 897.28 919.19 956.89 968.33 977.23 989.63 1008.03 1049.72 1091.51 1098.78 1129.65 1135.13 1150.62 1204.62 1222.67 1231.22 1246.27 1252.57 1255.83 1328.81 1332.70 1366.10 1371.23 1384.46 1432.77 1469.15 1539.49 1545.91 1563.35 1567.86 1568.06 1575.10 1580.21 1587.13 1597.68 1605.04 1610.44 1617.12 1627.06 1638.19 1644.68 1647.46 1688.72 1695.80 1706.73 1718.90 1719.31 1728.61 1742.98 1753.05 1766.76 1788.16 1814.64 1821.64 1856.85 1880.72 1882.56 1908.45 1909.33 1918.84 1938.41 1960.35 2003.11 2017.91 2067.22 2089.65 2090.90 2107.07 2123.39 2129.71 2232.86 2236.69 2255.21 2255.50 2297.34 2318.75 2329.70 2347.87 2352.05 2357.15 2362.00 2365.62 2387.73 2388.78 2409.13 2473.91 2530.14 2558.39 2567.91 2582.30 2586.99 2601.49 2688.62 2789.35 4611.36 4674.41 4686.04 4688.29 4692.32 4725.25 4751.14 4765.70 4779.92 4824.42 4833.94 4845.48 4868.47 4871.09 4874.63 4876.21 4882.79 4911.09 4926.70 4928.33 4950.51 4969.68 5598.45
0.467448
0.496097
0.497041
0.399149
-2216.403804
-2216.375156
-2216.374212
-2216.472103
3.283280D-04
MUNgauss
RevisionA2.0
retrievium
06-Jan-2021
DUDE Cc1ccc(cc1)SCCNC(=O)CN(c2cccc(c2)[N+](=O)[O-])S(=O)(=O)c3ccccc3 C02982602
RHF
6-31G(d)
(6D,10F)
C1
485.107915
|X|Y|Z|
63.963990 43.057998 139.525507
72.702219
26
|36.858105|
|12.609678|36.858105|
|7.557720|13.683731|36.858105|
|5.015676|7.886794|13.782822|36.858105|
|4.414374|6.792044|7.915515|13.694590|36.858105|
|5.004791|7.886911|6.900634|7.963903|13.735507|36.858105|
|7.535527|13.726878|7.987645|6.900422|7.914896|13.739533|36.858105|
|3.122853|4.150794|4.699328|6.890838|10.672968|6.897277|4.697361|388.023441|
|2.841355|3.619041|4.000557|5.311964|6.847681|5.364288|4.020399|74.243572|36.858105|
|2.317295|2.815789|3.062997|3.834101|4.577776|3.870856|3.080045|49.397975|12.476054|36.858105|
|2.119262|2.502342|2.684307|3.201613|3.630669|3.222122|2.695328|33.285933|7.726302|13.113647|53.358707|
|2.022192|2.350286|2.444685|2.821086|3.223610|3.021747|2.570589|27.781070|5.865627|7.780300|19.293656|36.858105|
|2.074837|2.417068|2.456291|2.813170|3.315516|3.228117|2.716311|28.303660|5.655185|6.830726|11.557899|15.825093|73.516695|
|1.824213|2.067896|2.144964|2.406069|2.643907|2.506343|2.214369|21.561633|4.181981|5.012163|10.711900|12.484137|14.176734|36.858105|
|1.655253|1.849805|1.888705|2.084156|2.292748|2.226239|1.991756|18.427979|3.332876|3.901331|7.141985|7.653040|11.938473|13.098516|53.358707|
|1.622767|1.789667|1.800323|1.949127|2.132507|2.116243|1.928784|16.537576|2.913364|3.203315|5.466148|5.440000|9.513789|7.613139|18.170267|36.858105|
|1.724839|1.901939|1.881536|2.022683|2.242597|2.278936|2.081472|17.090354|2.985475|3.161457|5.145777|5.114350|10.047697|5.939873|10.678649|13.706265|36.858105|
|1.657817|1.797376|1.757802|1.855227|2.033089|2.095854|1.957469|15.067728|2.547536|2.616033|4.097434|3.778175|7.304659|4.254999|7.004363|7.917664|13.755046|36.858105|
|1.514726|1.624270|1.597962|1.675566|1.805821|1.844439|1.741816|13.328671|2.224319|2.293662|3.596311|3.198184|5.894071|3.743153|6.159887|6.845814|7.934914|13.772467|36.858105|
|1.446255|1.555253|1.549890|1.636096|1.750615|1.758776|1.652499|13.093194|2.200287|2.316737|3.713959|3.288750|5.809169|4.095506|7.019735|8.016656|6.951719|8.017104|13.779356|36.858105|
|1.488101|1.618996|1.630484|1.744848|1.875366|1.858707|1.721731|14.323924|2.458141|2.662978|4.428005|4.041660|6.893396|5.499025|10.609524|13.749066|7.915754|6.839167|7.855588|13.772468|36.858105|
|1.324142|1.409911|1.408253|1.475900|1.559964|1.562404|1.482478|11.586821|1.911756|2.003638|3.160902|2.690023|4.689347|3.276695|5.303716|5.136683|4.536612|5.136783|7.788225|13.058271|7.791572|53.358707|
|1.283871|1.355952|1.345533|1.398460|1.474204|1.487986|1.424395|10.827903|1.762229|1.822696|2.821264|2.370469|4.193677|2.783673|4.373483|4.098769|3.913652|4.688071|7.102276|8.381335|5.428088|21.710586|73.516695|
|1.273937|1.357748|1.367029|1.437437|1.510595|1.498305|1.418805|11.295829|1.862064|1.971913|3.128969|2.621858|4.471480|3.244384|5.194348|4.685295|3.911429|4.098611|5.428025|8.378598|7.101461|21.742899|16.016582|73.516695|
|1.494927|1.663689|1.705273|1.884790|2.065601|1.994847|1.784811|16.895441|2.909252|3.519443|6.039787|5.636392|9.162175|7.146584|15.718174|7.116318|5.173742|3.903506|3.617220|4.146649|5.745513|4.636741|5.074708|6.160923|388.023441|
|1.365811|1.501261|1.538498|1.679850|1.810265|1.751672|1.592616|14.493632|2.437465|2.847868|4.738913|4.119692|6.718457|5.305891|10.279315|6.114001|4.386261|3.590564|3.579012|4.370532|6.090352|5.162880|5.511952|7.234012|94.687159|73.516695|
|1.542491|1.734598|1.801916|2.024645|2.224132|2.103669|1.856258|18.827478|3.261257|4.215940|7.358884|6.339037|9.589816|7.040996|10.656395|5.044080|4.082360|3.184785|2.926793|3.240546|4.185390|3.761764|4.233090|5.029266|94.516400|13.679712|73.516695|
|1.454782|1.613114|1.628913|1.788019|1.984675|1.958276|1.753662|16.131091|2.671509|3.145737|4.963584|4.573215|8.563158|4.886025|9.535652|5.928417|5.160886|4.020743|3.603387|3.858333|4.792330|4.305979|4.886373|5.493964|76.627868|13.114190|12.881661|36.858105|
|1.328805|1.455958|1.463221|1.586768|1.742174|1.731326|1.573540|13.878953|2.241243|2.560154|3.939170|3.464905|6.430360|3.763444|6.958174|4.945302|4.406344|3.758160|3.551091|3.833851|4.499522|4.443441|5.093880|5.683590|49.754990|11.817765|9.015879|13.752634|36.858105|
|1.286214|1.403012|1.398929|1.508395|1.660880|1.669038|1.523443|13.127520|2.068012|2.320016|3.447511|2.967493|5.672039|3.077359|5.304416|3.909278|3.791976|3.410495|3.195253|3.277190|3.590840|3.886103|4.626954|4.882709|33.761722|7.969222|6.899997|7.975232|13.741835|36.858105|
|1.349551|1.479053|1.466720|1.585961|1.767326|1.790744|1.623192|14.045825|2.184226|2.443882|3.538456|3.040103|6.036760|2.993897|4.960922|3.596525|3.687183|3.294229|2.960137|2.923729|3.170285|3.433799|4.149424|4.267517|29.987497|6.613770|6.544439|6.927290|7.942478|13.765288|36.858105|
|1.481906|1.644408|1.633637|1.786753|2.021656|2.044723|1.822596|16.390629|2.576101|2.936810|4.225701|3.707561|7.685603|3.474835|5.680878|3.924661|4.091946|3.463523|2.988730|2.934098|3.267783|3.369307|4.034756|4.186423|33.731495|6.818755|7.653562|7.982167|6.850490|7.914058|13.718352|36.858105|
|1.549337|1.733090|1.740213|1.923216|2.176408|2.165366|1.912317|17.955337|2.940960|3.482263|5.253589|4.857099|10.007345|4.571374|7.870402|4.968797|4.894665|3.826676|3.270121|3.308483|3.900756|3.708057|4.327814|4.651924|49.530542|8.773599|10.922515|13.709061|7.869381|6.842065|7.935527|13.787248|36.858105|
|17.539730|8.846868|6.620226|4.566511|3.962887|4.322114|5.945390|20.632613|2.754122|2.256381|2.860992|2.011358|3.636576|1.838025|2.263230|1.638963|1.738076|1.679100|1.542489|1.473916|1.511522|1.842382|2.336299|2.315276|10.606219|2.434645|2.723112|1.440765|1.318431|1.270856|1.324899|1.449082|1.521872|0.500000|
|17.582610|8.835597|5.573401|4.169369|3.950702|4.738982|7.225203|20.592832|2.651603|2.193538|2.744656|1.952992|3.606125|1.765054|2.204546|1.600584|1.716660|1.663028|1.515579|1.435956|1.467902|1.788496|2.275324|2.237073|10.413334|2.379739|2.667757|1.439780|1.320379|1.285858|1.354257|1.483688|1.538668|0.301824|0.500000|
|17.552800|8.842462|6.817694|4.626633|3.957091|4.266305|5.808216|20.631615|2.590315|2.153091|2.673680|1.862707|3.377696|1.688245|2.092318|1.501241|1.582941|1.521063|1.399309|1.343705|1.384106|1.684505|2.134142|2.126058|9.975909|2.288844|2.583496|1.365077|1.251539|1.213346|1.271422|1.390821|1.450310|0.302261|0.301707|0.500000|
|7.016479|8.903171|17.695580|8.953891|5.641445|4.964695|5.663269|27.691404|3.439129|2.738933|3.335179|2.229752|3.933533|1.994706|2.397589|1.682664|1.743368|1.638142|1.505297|1.467879|1.540445|1.830821|2.288860|2.331127|11.369300|2.589423|3.000267|1.519000|1.373140|1.311343|1.366196|1.509624|1.607377|0.185474|0.140695|0.196434|0.500000|
|4.094105|5.625991|8.930622|17.727841|8.915145|5.658795|4.967099|46.846156|5.220534|3.920545|4.448273|2.801788|4.847412|2.408303|2.816166|1.913940|1.955057|1.784584|1.625277|1.604322|1.722525|1.979452|2.440327|2.536622|13.419957|3.001397|3.645783|1.768118|1.568394|1.482764|1.549551|1.741311|1.886532|0.107362|0.095986|0.109298|0.216289|0.500000|
|4.085119|5.628032|4.967257|5.656943|8.927735|17.728301|8.917412|46.868089|5.305809|3.988890|4.499498|3.182025|6.266126|2.595844|3.181092|2.224839|2.429731|2.224073|1.932060|1.828471|1.932707|2.193746|2.728271|2.734283|14.919987|3.244000|3.917803|2.096916|1.845613|1.791220|1.946045|2.246496|2.360218|0.100225|0.112869|0.098720|0.107739|0.124317|0.500000|
|6.975919|8.917028|5.661899|4.965414|5.644479|8.944354|17.705882|27.693075|3.463465|2.762016|3.356905|2.408080|4.587510|2.097783|2.611454|1.882826|2.055735|1.958810|1.739625|1.634086|1.685651|1.996816|2.521927|2.482211|12.240608|2.740758|3.146750|1.712877|1.548065|1.510625|1.615412|1.804715|1.871586|0.154640|0.221307|0.149385|0.124221|0.107750|0.216186|0.500000|
|2.942987|3.735328|3.910814|4.890914|6.505004|5.819627|4.335634|56.216257|17.621779|8.870678|9.497976|6.227772|11.710616|4.372905|4.808457|3.164334|3.360240|2.855534|2.436593|2.366095|2.622270|2.758980|3.330572|3.464637|21.209004|4.414383|5.740943|2.791631|2.336747|2.165263|2.302124|2.732260|3.108497|0.079454|0.077569|0.073059|0.092241|0.125571|0.168632|0.105866|0.500000|
|2.929130|3.711731|4.280117|5.707149|6.455918|4.903105|3.907139|56.205456|17.595190|8.838443|9.574624|5.253832|8.462680|4.067818|4.327134|2.805569|2.830526|2.447698|2.172526|2.166791|2.414298|2.587404|3.114847|3.310453|19.552953|4.186384|5.435927|2.467192|2.097716|1.924693|2.001841|2.315285|2.639262|0.080449|0.074473|0.074240|0.104309|0.163964|0.126608|0.092416|0.300893|0.500000|
|2.210916|2.666658|2.967513|3.741860|4.263624|3.502590|2.842807|46.539274|8.832183|17.597960|12.598847|5.830336|8.984863|4.285308|4.661235|2.826768|2.738208|2.310419|2.068744|2.111955|2.418545|2.530107|3.012571|3.287534|22.956072|4.768291|7.036745|2.861648|2.372122|2.154935|2.251603|2.657174|3.104894|0.059749|0.057709|0.057904|0.075005|0.111009|0.097809|0.070506|0.173781|0.211264|0.500000|
|2.218677|2.677104|2.837660|3.481645|4.273844|3.792480|2.996419|46.267415|8.845915|17.626230|12.509199|7.306817|13.276678|4.671886|5.299480|3.206167|3.219642|2.651791|2.299397|2.302022|2.636169|2.697063|3.214430|3.447450|25.819360|5.122729|7.744193|3.407821|2.736580|2.509468|2.704670|3.345050|3.958361|0.059416|0.059154|0.057368|0.070179|0.096516|0.113555|0.075980|0.213625|0.173598|0.302362|0.500000|
|1.997775|2.329405|2.529019|2.987855|3.258640|2.867058|2.453912|29.028167|6.107375|9.030239|26.089046|9.450785|10.904607|7.544172|6.796960|3.801256|3.442981|2.793637|2.521205|2.660762|3.196468|3.135910|3.636697|4.122727|31.113009|6.318948|9.758010|3.432645|2.776052|2.406996|2.423747|2.825625|3.485654|0.055412|0.052541|0.051866|0.065282|0.086690|0.080216|0.062382|0.149114|0.171562|0.233976|0.185808|0.500000|
|1.903860|2.147058|2.217088|2.455638|2.669341|2.552016|2.286628|20.951951|4.083406|4.487617|8.898167|9.008219|11.975727|17.598693|12.643840|7.587154|6.261113|4.623561|4.073283|4.403877|5.720259|4.745281|5.274729|6.041928|38.233477|7.909243|8.989787|4.058591|3.307274|2.777764|2.704482|3.072060|3.839896|0.053823|0.051126|0.048617|0.057391|0.067816|0.072702|0.060275|0.121930|0.114185|0.106808|0.113734|0.174688|0.500000|
|1.741578|1.967003|2.068425|2.325934|2.507699|2.335382|2.074569|20.592363|3.909263|4.796158|10.240799|8.803501|10.456105|17.630945|12.377893|5.857422|4.560762|3.524396|3.253905|3.654599|4.842618|4.180463|4.637216|5.593190|48.178076|9.663483|13.309139|4.378251|3.484305|2.844918|2.730671|3.103659|3.994106|0.048830|0.046520|0.045134|0.053999|0.065805|0.066283|0.054268|0.108080|0.108794|0.121037|0.120638|0.239980|0.303342|0.500000|
|1.850390|2.066426|2.035811|2.209009|2.499700|2.559601|2.298935|19.257159|3.405941|3.601472|5.772519|5.983076|13.274185|6.083634|9.913583|8.966621|17.745222|8.874429|5.636427|4.995187|5.655213|4.917814|5.716943|5.722043|35.543431|7.105822|7.453080|5.208731|4.226984|3.744225|3.845733|4.532931|5.481658|0.051409|0.051234|0.046955|0.051823|0.058838|0.077071|0.063036|0.109470|0.087309|0.084329|0.104103|0.102943|0.171201|0.126290|0.500000|
|1.712087|1.847679|1.783172|1.866555|2.055406|2.156799|2.029928|15.001389|2.493286|2.505679|3.809039|3.435489|6.832788|3.649423|5.685354|5.639398|8.925807|17.738936|8.938296|5.681165|4.936098|5.668407|7.169267|6.050480|23.626963|5.398470|5.010664|3.529783|3.325288|3.152757|3.151696|3.320173|3.522500|0.048077|0.048123|0.043451|0.045982|0.049398|0.064057|0.057110|0.078550|0.066157|0.061380|0.071075|0.071478|0.109501|0.085158|0.213746|0.500000|
|1.458460|1.547985|1.514383|1.572724|1.684609|1.731387|1.653924|12.282225|2.014027|2.051727|3.154691|2.731672|5.042520|3.106427|4.910751|4.943760|5.635860|8.872952|17.789698|8.941388|5.625330|9.805048|14.242861|8.849989|21.488229|5.387303|4.474456|3.055624|3.080464|2.864707|2.673779|2.656226|2.822752|0.041345|0.040715|0.037481|0.039777|0.042290|0.050241|0.046187|0.061079|0.054855|0.051832|0.057135|0.061688|0.093520|0.076776|0.123646|0.213641|0.500000|
|1.417902|1.540706|1.564633|1.677949|1.788239|1.753467|1.624927|13.745015|2.345100|2.573569|4.299356|3.791572|6.245312|5.256009|9.665881|8.889905|5.632673|4.940998|5.618149|8.908825|17.801424|9.765974|8.822437|14.158250|42.287061|12.898328|7.736048|4.562649|4.359934|3.415216|2.964314|3.026481|3.619439|0.040025|0.038686|0.036835|0.041301|0.046422|0.050306|0.043973|0.068162|0.064528|0.066089|0.070224|0.088694|0.146512|0.139301|0.124310|0.107349|0.124142|0.500000|
|1.270266|1.384541|1.395932|1.507493|1.637795|1.620552|1.483684|12.944035|2.092209|2.374064|3.688037|3.189738|5.728943|3.607291|6.643140|4.831567|4.095342|3.595309|3.577033|4.053963|4.790036|4.858112|5.475325|6.391262|47.646480|13.931035|8.470799|8.930985|17.767846|8.878792|5.641772|4.944390|5.624960|0.035162|0.034988|0.033301|0.036598|0.041569|0.047553|0.040491|0.060199|0.055162|0.061765|0.069149|0.073660|0.089292|0.095294|0.104962|0.087067|0.086596|0.135553|0.500000|
|1.205176|1.305123|1.299427|1.391767|1.520754|1.530924|1.409843|11.892004|1.854070|2.053685|3.031552|2.560796|4.830779|2.678661|4.507148|3.398815|3.300687|3.095897|2.998615|3.081097|3.267706|3.780957|4.573905|4.769484|27.894964|6.994933|5.822837|5.663612|8.927515|17.729736|8.910128|5.633690|4.936887|0.033129|0.033520|0.031668|0.033985|0.038034|0.045414|0.038948|0.053744|0.048341|0.053474|0.061073|0.059369|0.068393|0.069765|0.088954|0.080232|0.076450|0.087452|0.214091|0.500000|
|1.301610|1.418682|1.399604|1.504175|1.672854|1.707275|1.557815|13.163668|2.007798|2.210380|3.141515|2.643319|5.240281|2.580863|4.140277|3.046384|3.178659|2.944498|2.672705|2.600963|2.744878|3.115552|3.834448|3.862636|24.222452|5.495173|5.447058|4.980113|5.649950|8.930993|17.717272|8.916413|5.649462|0.035411|0.036440|0.034143|0.036255|0.040713|0.051613|0.043327|0.058746|0.051216|0.056949|0.067817|0.059920|0.065883|0.065937|0.092098|0.080189|0.068581|0.071514|0.124040|0.215062|0.500000|
|1.535466|1.709781|1.688689|1.849186|2.115187|2.160218|1.914192|17.191327|2.639231|2.970285|4.117868|3.531076|7.501763|3.177139|4.927564|3.415924|3.666484|3.167065|2.711154|2.614997|2.860231|3.032357|3.678488|3.758847|27.850283|5.709283|6.659516|5.665347|4.941268|5.636344|8.897922|17.729706|8.946243|0.041426|0.042871|0.040023|0.043114|0.049747|0.066814|0.052870|0.078095|0.065038|0.074439|0.095935|0.075584|0.079165|0.079000|0.116004|0.086846|0.067922|0.073579|0.107395|0.123976|0.214932|0.500000|
|1.677512|1.901074|1.918129|2.149289|2.468475|2.436469|2.112595|20.912369|3.505394|4.302713|6.473052|6.174918|13.573067|5.213638|8.244456|4.878279|4.870772|3.713108|3.119070|3.136243|3.721253|3.510876|4.103076|4.414876|47.157171|8.036380|11.862029|8.888933|5.619407|4.939689|5.642237|8.913306|17.765045|0.045627|0.046088|0.043484|0.048852|0.058523|0.074254|0.056952|0.103192|0.085271|0.103436|0.141307|0.114569|0.118306|0.123710|0.160920|0.095878|0.074819|0.095978|0.123990|0.107315|0.124150|0.215112|0.500000|
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