Version2.4
2021-06-07T12:47:19Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
22-Jun-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOc1ccc2c(c1)sc(n2)N3[C@@H](C(=C(C3=O)[O-])C(=O)c4cccc(c4)OC)c5cccc(c5)O C35300062
RHF
6-31G(d)
(6D,7F)
CCOc1ccc2c(c1)sc(n2)N3[C@@H](C(=C(C3=O)[O-])C(=O)c4cccc(c4)OC)c5cccc(c5)O
C01[X(C27H21N2O6S1)]
165
C1
586
CCOc1ccc2c(c1)sc(n2)N1[C@H](c2cccc(c2)O)C(=C(C1=O)[O-])C(=O)c1cccc(c1)OC
CCOc1ccc2c(c1)sc(n2)N1[C@H](c2cccc(c2)O)C(=C(C1=O)[O-])C(=O)c1cccc(c1)OC
CCOc1ccc2nc(sc2c1)N3[C@H](c4cccc(O)c4)C(=C([O-])C3=O)C(=O)c5cccc(OC)c5
InChIKey=KFQSEFVCDPTBPJ-HSZRJFAPSA-M
InChI=1S/C27H22N2O6S/c1-3-35-19-10-11-20-21(14-19)36-27(28-20)29-23(15-6-4-8-17(30)12-15)22(25(32)26(29)33)24(31)16-7-5-9-18(13-16)34-2/h4-14,23,30,32H,3H2,1-2H3/p-1/t23-/m1/s1
InChI=1/C27H22N2O6S/c1-3-35-19-10-11-20-21(14-19)36-27(28-20)29-23(15-6-4-8-17(30)12-15)22(25(32)26(29)33)24(31)16-7-5-9-18(13-16)34-2/h4-14,23,30,32H,3H2,1-2H3/p-1/t23-/m1/s1/fC27H21N2O6S/h32h/q-1
CCOc1ccc2c(c1)sc(n2)N3[C@@H](C(=C(C3=O)[O-])C(=O)c4cccc(c4)OC)c5cccc(c5)O
C01[X(C27H21N2O6S1)]
165
C01
586
CCOc1ccc2c(c1)sc(n2)N1[C@H](c2cccc(c2)O)C(=C(C1=O)[O-])C(=O)c1cccc(c1)OC
CCO[C]1[CH][CH][C]2[C]([CH]1)SC(=N2)N1[C@H]([C]2[CH][CH][CH][C]([CH]2)O)[C]([C](=O)C1=O)[C](=O)[C]1[CH][CH][CH][C]([CH]1)OC
CCO[C]1[CH][CH][C]2N=C(S[C]2[CH]1)N3[C@H]([C]4[CH][CH][CH][C](O)[CH]4)[C](C(=O)[C]5[CH][CH][CH][C]([CH]5)OC)C(=O)C3=O
InChIKey=NBHFFJUULMSTJW-HSZRJFAPSA-N
InChI=1S/C27H21N2O6S/c1-3-35-19-10-11-20-21(14-19)36-27(28-20)29-23(15-6-4-8-17(30)12-15)22(25(32)26(29)33)24(31)16-7-5-9-18(13-16)34-2/h4-14,23,30H,3H2,1-2H3/t23-/m1/s1
InChI=1/C27H21N2O6S/c1-3-35-19-10-11-20-21(14-19)36-27(28-20)29-23(15-6-4-8-17(30)12-15)22(25(32)26(29)33)24(31)16-7-5-9-18(13-16)34-2/h4-14,23,30H,3H2,1-2H3/t23-/m1/s1
3897.4156950814
-1990.2882462
1-A
22293.0415
131
455
586
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9.64228
-8.4033 -16.1587 -2.3348
18.3622
|XX|YY|ZZ|XY|XZ|YZ|
-263.6618 -274.7807 -216.7654 -27.5645 -0.1972 12.5098
|XX|YY|ZZ|XY|XZ|YZ|
-11.9258 -23.0448 34.9706 -27.5645 -0.1972 12.5098
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-199.0459 -335.3716 15.7908 -106.2575 -249.8368 -11.7056 9.9248 15.5097 -43.8114 23.4548
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-22464.2744 -6823.1425 -2222.2560 -421.9036 108.8178 -523.9025 122.4569 53.7228 20.4426 -4497.3182 -4148.1963 -1337.6486 207.6505 -36.2726 2.1182
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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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165
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14.6223 19.4588 21.0981 23.2823 35.6895 39.1464 49.4393 57.9762 66.3532 73.7002 87.1608 99.3650 108.8193 117.5158 141.9819 158.8313 191.3031 195.1697 203.7536 226.1065 234.4610 242.9360 248.9221 254.6580 267.4484 278.8389 293.4246 298.4739 306.6136 311.4195 329.2362 351.1382 367.4282 377.2334 399.4581 420.5764 458.2848 473.5172 484.1381 489.6095 493.6325 497.7197 517.1638 545.5603 570.8110 573.1688 578.5778 613.0766 635.3661 646.5520 666.9982 674.2371 693.6598 712.2045 720.6186 728.0006 759.1432 772.2317 776.6914 795.9122 803.1755 811.4547 848.1422 849.4909 859.7145 881.8562 891.0230 891.3339 897.4519 910.9975 921.9362 924.4054 958.1447 976.0449 978.4484 997.8913 999.9967 1011.1243 1015.7265 1031.4784 1036.2458 1060.1310 1082.8897 1086.9821 1095.5351 1095.9065 1137.3670 1156.0768 1187.3444 1189.8950 1195.7173 1200.2088 1202.7960 1211.6788 1225.7550 1233.7833 1262.1684 1267.8123 1285.6350 1294.9315 1299.5996 1300.7113 1301.4902 1314.4272 1325.9494 1338.0072 1357.3881 1363.5331 1369.8180 1414.9137 1416.9840 1425.4727 1430.4807 1435.2171 1440.3666 1444.2050 1450.1766 1503.1331 1528.6179 1543.5731 1558.0173 1579.7725 1589.0110 1602.4705 1629.3986 1629.6920 1632.2861 1643.9396 1646.1183 1650.6938 1657.2890 1663.4115 1679.0137 1685.1741 1736.3378 1767.2190 1775.9424 1805.6179 1811.5729 1815.7329 1817.4458 1820.3513 1945.6911 1999.3781 3192.8261 3194.4617 3211.6625 3228.9228 3250.1344 3274.9913 3276.7704 3291.4174 3308.7121 3346.5641 3350.7951 3352.2786 3380.8617 3381.1118 3382.7728 3388.7480 3389.3627 3392.7146 3403.5340 3407.5317 4118.4359
5.6422 4.7955 5.3223 5.3002 5.0673 4.9438 5.4680 5.4645 3.9257 8.9964 5.6597 4.1188 6.0067 2.9937 4.6328 6.7150 6.3434 6.3165 6.4933 5.8915 5.7843 1.7973 6.1440 2.5311 5.3789 1.2816 4.8471 3.9482 1.3765 1.8051 8.6542 6.5695 8.1416 8.5762 5.7931 6.1385 7.9826 4.2740 5.1528 3.2313 4.8941 5.5979 3.8380 4.8719 9.2022 6.8879 8.7124 5.0993 6.9740 6.1294 3.8970 6.2647 6.3779 7.9170 7.6921 6.4388 3.2326 5.3670 2.5639 4.5134 4.9897 4.6214 6.0874 3.2364 4.0867 3.2727 2.2962 1.9147 1.1685 5.4093 4.5030 1.3508 3.8035 1.9761 1.4685 1.5365 1.4249 3.1606 1.8435 3.3471 2.9555 1.3398 6.0227 4.8651 1.3966 1.2996 4.1651 2.2738 1.6514 3.4314 2.5035 2.8940 2.5860 3.1784 2.1181 2.9797 2.3875 2.4417 1.7891 1.2700 2.9103 1.3335 1.5289 1.3678 2.4734 2.7431 2.9555 2.0132 1.7841 3.5039 2.6999 5.6643 1.0991 2.8211 3.0566 1.5186 1.6795 1.7893 1.5780 1.2388 7.1618 2.0973 1.9841 2.9958 1.0420 2.5542 1.3693 2.5666 1.1345 1.0490 2.1303 1.0548 2.3759 1.1214 11.5290 6.1845 5.2119 5.6131 7.3211 5.8076 6.5811 8.8247 12.8485 13.0357 1.0549 1.0350 1.0388 1.1089 1.1066 1.1013 1.0856 1.1050 1.1005 1.0886 1.0906 1.0892 1.0898 1.0933 1.0932 1.0928 1.0956 1.0937 1.0941 1.0924 1.0665
0.0007 0.0011 0.0014 0.0017 0.0038 0.0045 0.0079 0.0108 0.0102 0.0288 0.0253 0.0240 0.0419 0.0244 0.0550 0.0998 0.1368 0.1418 0.1588 0.1775 0.1873 0.0625 0.2243 0.0967 0.2267 0.0587 0.2459 0.2072 0.0762 0.1031 0.5527 0.4772 0.6476 0.7191 0.5446 0.6397 0.9878 0.5646 0.7116 0.4564 0.7026 0.8170 0.6048 0.8543 1.7665 1.3332 1.7184 1.1293 1.6587 1.5097 1.0215 1.6779 1.8081 2.3660 2.3535 2.0106 1.0976 1.8857 0.9113 1.6845 1.8965 1.7929 2.5800 1.3761 1.7796 1.4995 1.0741 0.8962 0.5545 2.6450 2.2551 0.6801 2.0573 1.1092 0.8283 0.9015 0.8395 1.9038 1.1206 2.0981 1.8699 0.8872 4.1611 3.3868 0.9876 0.9196 3.1745 1.7905 1.3717 2.8624 2.1089 2.4562 2.2042 2.7494 1.8750 2.6724 2.2410 2.3123 1.7423 1.2547 2.8960 1.3293 1.5259 1.3924 2.5621 2.8934 3.2084 2.2053 1.9724 4.1329 3.1939 6.7813 1.3251 3.4238 3.7363 1.8662 2.0810 2.3820 2.1725 1.7391 10.2428 3.0839 2.9517 4.5326 1.6300 3.9968 2.1495 4.0868 1.8113 1.6841 3.4474 1.7196 3.9463 1.8764 20.4790 11.3798 9.6851 10.7822 14.1558 11.2810 12.8078 17.2291 28.6583 30.7026 6.3361 6.2226 6.3130 6.8119 6.8871 6.9593 6.8676 7.0531 7.0983 7.1830 7.2145 7.2117 7.3395 7.3636 7.3703 7.3938 7.4152 7.4172 7.4670 7.4732 10.6579
0.2934 0.5541 0.1119 0.4877 1.0445 0.1066 0.3517 1.0425 3.6397 4.8881 0.6109 0.5850 1.3605 1.5681 3.1189 2.0473 3.2437 1.8287 1.4326 1.6879 8.4584 0.1561 5.7933 16.6498 1.7027 1.0726 1.7178 3.9909 106.1222 0.2925 2.0819 4.1785 5.7771 6.4400 0.9093 4.9916 0.1872 12.6415 0.6979 1.5008 1.2457 4.0577 12.0294 6.6972 13.2206 1.2494 13.9629 3.2179 14.6997 4.4946 2.6436 17.7845 2.9846 16.4418 9.8706 10.2330 6.1023 0.6159 5.0717 67.9461 13.7152 0.4240 52.9306 66.9903 76.8806 43.9237 0.6751 8.3744 10.6698 9.4652 10.6200 24.5569 3.1952 34.0160 31.9319 1.8329 0.6679 12.2469 33.9101 12.8853 7.2734 0.5619 1.1778 0.9812 0.8166 2.2163 62.2192 3.7418 4.7136 48.1275 66.6283 31.6515 21.9141 19.0529 11.9424 21.9579 111.0766 90.6024 76.1277 2.8042 3.3760 35.3754 4.5698 4.4606 204.0427 144.6685 58.3309 63.4688 95.4413 15.7312 675.3996 31.1558 1.0317 288.0821 228.9850 147.0725 176.3442 294.3367 376.7077 16.6690 568.1613 49.5560 112.6981 205.8643 2.5737 122.7731 5.6161 286.5006 25.5630 2.4676 11.8571 11.6052 6.1842 1.1646 499.0178 23.5128 113.2090 41.4796 257.5272 128.0027 161.9412 144.4552 823.9914 424.9459 31.7018 63.5755 44.5888 44.3570 69.1077 46.8799 23.6974 52.1574 60.7868 21.0485 28.9164 5.3164 14.2850 23.2926 21.3635 7.1850 12.8101 25.4831 24.8706 1.5532 49.0244
0.5326 4.7164 1.2077 2.2944 1.6959 5.8505 2.2686 2.0389 1.7446 1.0762 1.1858 0.9933 0.3991 0.8116 1.4956 1.1700 3.4782 2.9386 0.7648 1.9248 2.5903 3.8954 2.4237 1.0276 4.9626 0.3664 0.9967 0.2492 2.6291 1.4599 3.3116 2.6045 0.8268 3.0223 0.4077 0.5003 3.0049 0.7617 1.6675 0.1372 1.6722 2.5083 0.5007 2.4635 2.2239 6.0883 2.4284 1.6384 5.6754 2.5214 0.6879 2.2445 1.7796 2.4967 3.5627 4.3500 1.5678 8.6536 2.0925 5.6393 1.0261 2.9356 8.7332 4.5412 6.4229 10.1797 2.1640 3.7037 0.8020 2.1039 4.9699 0.3431 8.1648 2.8384 2.1049 2.2426 1.2824 4.9170 0.9371 3.4324 5.6504 1.6457 31.5889 20.5598 1.6529 0.3591 3.5584 4.1284 3.1908 10.9536 2.5628 2.7588 11.3682 5.9996 0.8142 7.9859 3.4789 3.5805 2.6986 5.4345 51.1429 3.5523 2.0284 1.0607 11.8082 3.7283 35.3142 8.0950 2.8803 7.4264 1.5066 172.7180 15.4323 23.4111 2.8147 2.1877 7.9092 10.3601 9.3730 1.4539 38.7564 11.7873 10.7930 1.5924 24.9997 4.9955 8.4804 94.9290 11.7253 26.7422 1.4301 12.9523 2.0430 18.5806 410.5655 135.9684 17.6958 5.8093 63.1732 33.9295 105.4155 37.3948 55.6393 98.0878 40.6766 108.5269 174.6538 61.0525 47.8993 94.1536 27.2169 46.9743 140.1154 71.3912 7.0397 100.9018 37.5708 97.3424 51.6692 94.0939 113.7882 143.2568 123.7419 51.3735 43.6541
0.6171 0.7428 0.6989 0.7336 0.7467 0.7492 0.7485 0.7498 0.7492 0.7499 0.6807 0.6514 0.7483 0.7446 0.7108 0.5286 0.7174 0.4882 0.7476 0.6907 0.5451 0.7038 0.4276 0.6957 0.2686 0.7385 0.7452 0.6983 0.7476 0.7108 0.1870 0.3506 0.3507 0.4422 0.2430 0.7467 0.7241 0.2843 0.3069 0.3823 0.5024 0.6956 0.6802 0.4392 0.7483 0.2538 0.4549 0.5973 0.1500 0.7349 0.6892 0.7489 0.5055 0.4639 0.4243 0.1185 0.1942 0.1287 0.1070 0.5408 0.7245 0.7497 0.4206 0.5913 0.2774 0.0378 0.2275 0.2894 0.7383 0.3363 0.2319 0.7468 0.2630 0.2636 0.7499 0.3664 0.5804 0.3298 0.5591 0.1270 0.3355 0.7454 0.1119 0.0898 0.1888 0.6156 0.4836 0.1775 0.3943 0.2008 0.7088 0.4488 0.3740 0.1341 0.7362 0.6085 0.2534 0.4337 0.2132 0.7402 0.2233 0.7484 0.5056 0.4156 0.5566 0.5768 0.0598 0.7394 0.5931 0.0804 0.7405 0.2727 0.7497 0.1608 0.7276 0.2421 0.4468 0.6002 0.7439 0.3072 0.5194 0.6389 0.1431 0.5158 0.7496 0.5042 0.4489 0.4033 0.6634 0.7309 0.6493 0.6668 0.1802 0.4945 0.2890 0.4362 0.7309 0.7019 0.5217 0.3719 0.4813 0.7114 0.2426 0.1358 0.2497 0.0332 0.0204 0.7498 0.7374 0.7445 0.1316 0.7498 0.4872 0.5468 0.1540 0.5114 0.7277 0.3946 0.3735 0.3324 0.1025 0.1576 0.1691 0.2711 0.2668
0.7632 0.8524 0.8228 0.8463 0.8550 0.8566 0.8562 0.8570 0.8566 0.8571 0.8100 0.7889 0.8560 0.8536 0.8310 0.6916 0.8354 0.6561 0.8556 0.8170 0.7056 0.8262 0.5991 0.8205 0.4235 0.8496 0.8540 0.8224 0.8556 0.8310 0.3150 0.5192 0.5193 0.6133 0.3910 0.8550 0.8399 0.4428 0.4696 0.5531 0.6688 0.8205 0.8097 0.6103 0.8560 0.4049 0.6253 0.7479 0.2609 0.8472 0.8160 0.8564 0.6715 0.6338 0.5958 0.2119 0.3252 0.2281 0.1934 0.7020 0.8403 0.8570 0.5922 0.7432 0.4343 0.0729 0.3707 0.4488 0.8494 0.5033 0.3765 0.8551 0.4164 0.4173 0.8571 0.5362 0.7345 0.4961 0.7172 0.2253 0.5024 0.8541 0.2013 0.1647 0.3176 0.7621 0.6519 0.3014 0.5656 0.3344 0.8296 0.6195 0.5444 0.2364 0.8480 0.7566 0.4043 0.6050 0.3515 0.8507 0.3651 0.8561 0.6716 0.5872 0.7152 0.7316 0.1129 0.8502 0.7446 0.1488 0.8509 0.4286 0.8570 0.2770 0.8423 0.3898 0.6176 0.7502 0.8531 0.4700 0.6837 0.7796 0.2504 0.6806 0.8569 0.6704 0.6197 0.5747 0.7977 0.8445 0.7874 0.8001 0.3054 0.6618 0.4484 0.6074 0.8445 0.8249 0.6857 0.5422 0.6498 0.8314 0.3905 0.2392 0.3996 0.0642 0.0399 0.8570 0.8489 0.8535 0.2327 0.8570 0.6552 0.7070 0.2670 0.6767 0.8424 0.5659 0.5438 0.4990 0.1859 0.2723 0.2892 0.4265 0.4213
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 57
6 6 8 6 6 6 6 6 6 16 6 7 7 6 1 6 6 6 8 8 6 8 6 6 6 6 6 6 8 6 6 6 6 6 6 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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
10503.1477 32570.5815 37579.1935
1.00000 0.00068 0.00097 -0.00069 0.99989 0.01457 -0.00096 -0.01457 0.99989
1
0.00825 0.00266 0.00230
0.17183 0.05541 0.04803
21.04 28.00 30.36 33.50 51.35 56.32 71.13 83.41 95.47 106.04 125.40 142.96 156.57 169.08 204.28 228.52 275.24 280.81 293.16 325.32 337.34 349.53 358.14 366.40 384.80 401.19 422.17 429.44 441.15 448.06 473.70 505.21 528.65 542.75 574.73 605.12 659.37 681.29 696.57 704.44 710.23 716.11 744.08 784.94 821.27 824.66 832.44 882.08 914.15 930.24 959.66 970.08 998.02 1024.70 1036.81 1047.43 1092.24 1111.07 1117.49 1145.14 1155.59 1167.50 1220.29 1222.23 1236.94 1268.79 1281.98 1282.43 1291.23 1310.72 1326.46 1330.01 1378.56 1404.31 1407.77 1435.74 1438.77 1454.78 1461.40 1484.07 1490.93 1525.29 1558.04 1563.92 1576.23 1576.77 1636.42 1663.34 1708.32 1711.99 1720.37 1726.83 1730.56 1743.34 1763.59 1775.14 1815.98 1824.10 1849.74 1863.12 1869.83 1871.43 1872.55 1891.17 1907.75 1925.09 1952.98 1961.82 1970.86 2035.75 2038.72 2050.94 2058.14 2064.96 2072.37 2077.89 2086.48 2162.67 2199.34 2220.86 2241.64 2272.94 2286.23 2305.60 2344.34 2344.76 2348.50 2365.26 2368.40 2374.98 2384.47 2393.28 2415.73 2424.59 2498.20 2542.63 2555.19 2597.88 2606.45 2612.43 2614.90 2619.08 2799.42 2876.66 4593.76 4596.12 4620.87 4645.70 4676.22 4711.98 4714.54 4735.62 4760.50 4814.96 4821.05 4823.18 4864.31 4864.67 4867.06 4875.65 4876.54 4881.36 4896.93 4902.68 5925.51
0.463445
0.493254
0.494198
0.398157
-1989.824801
-1989.794992
-1989.794048
-1989.890089
3.221231D-04
MUNgauss
RevisionA2.1
retrievium
07-Jun-2021
DUDE CCOc1ccc2c(c1)sc(n2)N3[C@@H](C(=C(C3=O)[O-])C(=O)c4cccc(c4)OC)c5cccc(c5)O C35300062
RHF
6-31G(d)
(6D,10F)
C1
501.112033
|X|Y|Z|
127.753348 65.557051 40.917020
69.978597
27
|36.858105|
|12.565043|36.858105|
|8.096674|13.614536|73.516695|
|5.221164|7.970877|24.918608|36.858105|
|4.399110|6.701877|13.928045|13.671129|36.858105|
|3.337723|4.506455|9.203098|7.901609|13.746777|36.858105|
|2.974756|3.786311|8.184453|6.850723|7.943567|13.766050|36.858105|
|3.205792|3.995707|9.434473|8.004972|6.923761|7.957763|13.653332|36.858105|
|4.091594|5.257314|14.578349|13.736588|7.898387|6.818679|7.851213|13.792937|36.858105|
|2.547484|2.966321|6.575231|4.686257|4.248524|4.889882|7.403508|10.892309|6.736978|388.023441|
|2.285263|2.695469|5.651428|4.052310|4.159664|5.416244|8.683639|7.788160|4.981386|76.296381|36.858105|
|2.446315|2.973172|6.142205|4.579852|5.145338|7.741247|13.770999|8.107225|5.231549|52.091861|14.953809|53.358707|
|1.964126|2.259672|4.605573|3.140593|3.229684|4.009720|5.442438|5.029213|3.695047|49.358936|13.958469|11.198413|53.358707|
|1.796571|2.061577|4.079803|2.736919|2.920137|3.648346|4.524224|3.910285|3.047913|32.803452|7.676555|9.140559|17.597079|36.858105|
|1.839225|2.128216|4.178221|2.820456|3.084140|3.939135|4.768685|3.927464|3.076039|30.809564|7.129052|9.798664|12.526191|17.632860|0.500000|
|1.595221|1.793833|3.523519|2.296715|2.394413|2.850812|3.401628|3.130359|2.553168|26.926035|5.230111|6.092436|11.119056|12.523468|0.240997|36.858105|
|1.595330|1.776823|3.531937|2.284054|2.312992|2.689488|3.261765|3.174064|2.601315|29.268453|5.178909|5.596082|11.013468|7.878661|0.165701|13.537122|36.858105|
|1.813707|2.040355|4.153727|2.742197|2.727662|3.203493|4.124456|4.162266|3.251722|43.567769|7.825763|7.218222|18.780994|8.006132|0.170216|8.111939|12.384724|36.858105|
|1.863517|2.075195|4.283571|2.795760|2.687645|3.056822|3.925900|4.275133|3.411013|48.991596|6.709604|6.315007|11.389686|5.412939|0.126605|5.429117|7.732894|15.964095|73.516695|
|1.481104|1.628079|3.220860|2.045563|2.046692|2.322152|2.751651|2.742676|2.319037|24.935041|4.019279|4.490153|7.459560|5.269166|0.121446|7.879810|15.770232|8.020706|11.793299|73.516695|
|1.444529|1.611419|3.112346|1.995994|2.097088|2.456215|2.803177|2.569551|2.166359|21.010653|3.824781|4.784626|6.962467|7.286812|0.177038|13.282885|7.584804|5.087167|6.959127|10.972070|36.858105|
|1.333671|1.471831|2.831680|1.791112|1.861231|2.135090|2.407076|2.256849|1.940616|18.468666|3.176497|3.960087|5.544889|5.109280|0.126570|8.087707|6.464459|4.322962|6.260018|11.097264|15.739408|73.516695|
|1.434230|1.607847|3.064054|1.964674|2.109434|2.488332|2.751454|2.447311|2.083681|19.013999|3.483044|4.660985|5.852343|6.255699|0.177916|7.496454|4.936472|3.937332|5.631033|7.412808|12.498117|14.573066|36.858105|
|1.493792|1.685158|3.198443|2.059882|2.240724|2.666143|2.908701|2.538653|2.162437|19.213934|3.543995|4.918569|5.684069|5.835333|0.194523|6.055524|4.301305|3.698192|5.383905|6.468600|7.463257|9.836433|13.650510|36.858105|
|1.448055|1.631775|3.050084|1.947136|2.145072|2.525781|2.653165|2.300682|2.000712|16.808662|3.002429|4.318075|4.545991|4.345416|0.142839|4.259716|3.290329|2.959841|4.471732|5.124250|4.998174|7.366681|7.935054|13.815221|36.858105|
|1.357266|1.519891|2.818871|1.782076|1.959208|2.274841|2.358847|2.064789|1.819040|15.013787|2.622598|3.762144|3.941730|3.696464|0.113913|3.671263|2.903417|2.604735|3.988619|4.615094|4.415477|6.868248|6.824120|7.898317|13.695080|36.858105|
|1.312128|1.462462|2.725633|1.719410|1.869720|2.161550|2.272853|2.014875|1.771482|14.919072|2.598013|3.643655|3.997463|3.798169|0.110372|3.933327|3.078324|2.684975|4.086751|4.925519|5.022468|8.021654|7.907838|6.867082|7.964174|13.746212|36.858105|
|1.344587|1.498908|2.827155|1.793643|1.929505|2.244291|2.424470|2.167099|1.879171|16.518196|2.923857|3.978632|4.707269|4.678171|0.129615|5.230069|3.866774|3.202610|4.751211|6.099338|7.615198|11.704642|13.792181|7.951800|6.910781|7.919421|13.702840|36.858105|
|1.229650|1.361143|2.520467|1.574310|1.704581|1.941044|2.019049|1.810099|1.613088|13.323784|2.260408|3.164256|3.420645|3.116092|0.088244|3.217446|2.637522|2.331917|3.620213|4.317216|3.949017|6.690320|5.280282|4.615046|5.198444|7.863005|14.043268|8.188285|73.516695|
|1.188003|1.311570|2.404958|1.491564|1.622175|1.828911|1.867780|1.674417|1.510623|12.115157|2.022943|2.868941|2.985925|2.640538|0.075973|2.660008|2.240654|2.031828|3.204831|3.694064|3.117651|5.294428|3.984348|3.797170|4.524278|6.751130|8.019846|5.267980|24.326476|36.858105|
|1.785201|2.052396|4.012805|2.679691|2.906070|3.628259|4.303646|3.648651|2.914156|28.669040|6.112558|8.201321|10.478258|12.440611|0.249096|7.422188|5.457335|5.537261|7.560129|7.350597|5.837409|7.887493|5.584745|4.918469|4.036389|3.712758|3.974068|4.802068|5.988079|2.836746|36.858105|
|1.714288|1.944477|3.807158|2.497837|2.637221|3.159363|3.708522|3.342493|2.739600|26.975298|5.100740|6.445650|8.484950|7.480645|0.155580|6.088563|5.158505|5.201821|7.461629|7.327761|5.012710|7.420976|4.479487|3.802826|3.232328|3.106890|3.441755|4.155140|5.480217|2.605109|13.697742|36.858105|
|1.664956|1.879404|3.623865|2.342632|2.489719|2.919071|3.263434|2.948170|2.506015|22.542910|3.955610|5.301564|5.959219|4.994059|0.116928|4.302481|3.780177|3.805097|5.835562|5.741364|3.906413|6.099707|3.734475|3.230740|2.899646|2.904417|3.250137|3.734192|5.424110|2.622333|7.932196|13.781734|36.858105|
|1.674439|1.901931|3.604970|2.327037|2.540545|2.993672|3.201744|2.800805|2.416945|20.301923|3.564888|5.100706|5.124191|4.403312|0.111221|3.705851|3.178125|3.200493|4.963765|4.872572|3.508374|5.454958|3.621571|3.238134|3.035243|3.117382|3.450196|3.749199|5.847102|2.882923|6.815069|7.899089|13.739487|36.858105|
|1.738552|2.000235|3.773980|2.469070|2.774297|3.378338|3.557878|2.971245|2.531909|20.989919|3.863072|5.845548|5.485110|5.000692|0.134242|3.962022|3.249553|3.277448|4.995613|4.886181|3.768362|5.645837|4.147476|3.854096|3.676020|3.737989|3.999164|4.219031|6.496113|3.214046|7.905469|6.886409|7.997137|13.786767|36.858105|
|1.799007|2.084848|3.993760|2.662098|2.995355|3.788512|4.183407|3.390386|2.783030|24.509132|4.933802|7.564159|7.291926|7.543491|0.206989|5.226332|4.008499|4.057107|5.916046|5.756533|4.725788|6.634022|5.245364|4.961274|4.439327|4.199759|4.365665|4.846311|6.579315|3.177484|13.758424|7.971841|6.925887|7.929326|13.737580|36.858105|
|1.708205|1.964139|3.627618|2.342878|2.678561|3.200435|3.190551|2.661841|2.334843|18.170859|3.209134|4.969430|4.412154|3.870215|0.109606|3.200276|2.685233|2.705039|4.225510|4.139785|3.141920|4.830580|3.578989|3.481850|3.548546|3.733871|3.850097|3.752951|6.470480|3.381143|5.204206|4.616222|5.269844|8.101245|14.000415|7.945867|73.516695|
|17.573537|8.862141|12.969150|4.873143|4.018399|3.136551|2.866392|3.143868|4.018191|18.072820|2.249260|3.235288|2.641394|1.766985|0.049734|1.574353|1.583484|1.803683|3.314662|2.621582|1.423529|2.344051|1.404940|1.450620|1.400709|1.318876|1.284199|1.321111|2.147044|1.163928|1.768019|1.718809|1.677864|1.677953|1.721988|1.770162|2.992243|0.500000|
|17.573001|8.861802|12.971599|4.868141|4.017515|3.134542|2.862910|3.137991|4.010133|18.042326|2.245941|3.231923|2.637178|1.762587|0.050187|1.576767|1.587165|1.805960|3.322504|2.631257|1.426822|2.347622|1.411142|1.473503|1.424154|1.328793|1.282589|1.317164|2.131637|1.157030|1.728358|1.655898|1.594663|1.593128|1.655744|1.728312|2.878454|0.301062|0.500000|
|17.542679|8.859968|10.260048|4.230710|3.846107|3.006336|2.652703|2.778109|3.387392|16.029308|2.070482|3.030141|2.454217|1.672474|0.047710|1.492092|1.483510|1.666323|3.022042|2.454864|1.363504|2.243914|1.362878|1.421444|1.389083|1.308579|1.262457|1.285337|2.112272|1.154600|1.670693|1.603759|1.568850|1.590523|1.654039|1.698739|2.920253|0.300250|0.300248|0.500000|
|8.851278|17.530805|16.541030|7.087653|6.799940|4.619063|3.768171|3.832158|4.797816|20.347055|2.667065|4.057369|3.055822|2.072045|0.059260|1.792507|1.761051|2.010682|3.601565|2.859890|1.616193|2.620921|1.621283|1.691881|1.646189|1.544968|1.490569|1.522413|2.476945|1.345444|2.103082|2.000971|1.960068|2.005013|2.105192|2.162163|3.706529|0.212142|0.173422|0.212584|0.500000|
|8.852647|17.529230|16.539307|7.069692|6.793949|4.611834|3.759572|3.820692|4.782786|20.300073|2.661148|4.050148|3.048925|2.064755|0.060024|1.795899|1.765937|2.013597|3.611171|2.872181|1.620884|2.625714|1.630711|1.728355|1.684495|1.560889|1.487977|1.516292|2.453275|1.334777|2.037089|1.903471|1.830797|1.864704|1.987395|2.087072|3.496499|0.173437|0.212134|0.212657|0.301247|0.500000|
|4.690866|7.455262|12.489934|8.862234|17.759977|8.971794|5.665147|4.981716|5.624598|24.391490|3.428602|5.665534|3.790529|2.594916|0.076498|2.163631|2.075532|2.387526|4.163999|3.295531|1.932102|3.069152|1.968405|2.098012|2.044612|1.885233|1.789600|1.822538|2.922772|1.581774|2.614788|2.384244|2.292381|2.380084|2.605461|2.753198|4.597165|0.115134|0.115218|0.118431|0.227311|0.227934|0.500000|
|2.976871|3.899044|7.417720|5.624393|8.896167|17.729447|8.944305|5.654506|4.924676|28.830426|4.817110|9.514779|5.169593|3.676386|0.113432|2.854688|2.617834|3.016421|4.998734|4.009696|2.508766|3.852768|2.613739|2.840850|2.748914|2.479232|2.324199|2.374863|3.698853|1.973623|3.746561|3.181433|2.980529|3.162516|3.709500|4.146002|6.449059|0.077509|0.077476|0.076681|0.113695|0.113579|0.216029|0.500000|
|4.113930|4.869085|13.472007|8.950018|5.637878|4.925382|5.588494|8.840965|17.736102|43.925364|4.282176|5.756570|4.549878|2.750277|0.076016|2.374810|2.471387|3.077296|5.927293|3.989780|2.026042|3.268886|1.927881|1.983596|1.832721|1.675363|1.641437|1.745947|2.672995|1.408560|2.618558|2.515587|2.310170|2.202992|2.269375|2.470160|3.721292|0.115760|0.115465|0.093165|0.120510|0.120146|0.124005|0.107071|0.500000|
|1.563120|1.768177|3.383020|2.191796|2.372231|2.835913|3.146754|2.753622|2.322475|21.066592|3.925385|5.377418|6.321503|6.257109|0.223952|6.413610|4.681811|4.104706|5.937553|6.932583|6.907547|9.167318|8.889503|17.729730|8.927447|5.627802|4.950055|5.654389|6.510479|3.137559|4.736421|3.650485|3.040832|2.991956|3.512275|4.572319|5.615411|0.042020|0.043069|0.041127|0.048892|0.050561|0.061130|0.082912|0.059088|0.500000|
|1.474608|1.664330|3.092378|1.969659|2.184100|2.559724|2.642469|2.283829|2.003594|16.376350|2.880699|4.211909|4.224568|3.848957|0.129048|3.678153|2.963028|2.748381|4.226817|4.657556|4.070576|6.159790|5.640434|8.940673|17.693848|8.933358|5.662663|4.969925|7.449758|3.917794|3.530967|2.859242|2.588008|2.720601|3.281622|3.899898|5.779405|0.039370|0.040381|0.039399|0.046473|0.048156|0.058246|0.077972|0.050865|0.215252|0.500000|
|1.318661|1.472561|2.705235|1.697435|1.872981|2.150014|2.187514|1.919412|1.713383|13.741885|2.352616|3.408320|3.452056|3.119355|0.095761|3.053999|2.501850|2.291401|3.570910|4.029371|3.535931|5.663054|4.929185|5.641867|8.921230|17.748649|8.856413|5.623454|12.471908|7.477409|3.170124|2.713837|2.597816|2.830976|3.366319|3.629370|6.254125|0.035517|0.035820|0.035510|0.041668|0.042157|0.050626|0.065492|0.043891|0.124196|0.216620|0.500000|
|1.295185|1.435521|2.710673|1.709969|1.821920|2.097464|2.273352|2.063431|1.799092|15.889904|2.756881|3.688517|4.455276|4.273536|0.112534|4.934811|3.813063|3.114951|4.666147|6.173431|7.091081|12.334126|8.930045|5.648180|4.974773|5.652204|8.947570|17.753264|13.454481|4.874215|4.549798|4.254594|3.909660|3.816867|4.041644|4.414014|6.298267|0.035536|0.035216|0.034386|0.040567|0.040091|0.047788|0.061023|0.046770|0.124162|0.107869|0.123987|0.500000|
|1.132193|1.243430|2.275554|1.402975|1.517235|1.695203|1.729206|1.564272|1.420485|11.331061|1.866286|2.630600|2.744790|2.385435|0.067565|2.415696|2.073711|1.886336|3.001811|3.455929|2.799240|4.852311|3.409110|3.185819|3.622291|4.912629|5.874549|4.416437|17.026277|17.625166|2.585246|2.440223|2.502330|2.743756|2.961513|2.855257|5.543088|0.030913|0.030601|0.030617|0.035495|0.035025|0.041183|0.050504|0.036966|0.075088|0.089084|0.146123|0.121172|0.500000|
|1.241410|1.377128|2.513706|1.562658|1.716599|1.942420|1.960466|1.738697|1.570031|12.403976|2.081029|3.000500|3.028129|2.675456|0.077964|2.611019|2.195228|2.028010|3.201406|3.580588|2.972604|4.927015|3.797632|3.750909|4.589433|6.758749|7.046956|4.774685|16.453944|17.539000|2.917960|2.644716|2.689783|3.043761|3.490722|3.389876|6.833883|0.033713|0.033468|0.033579|0.039409|0.039018|0.046734|0.058916|0.040437|0.086855|0.113141|0.224426|0.119961|0.300066|0.500000|
|1.153388|1.269788|2.324799|1.437007|1.558998|1.749085|1.783518|1.605816|1.454248|11.619421|1.926203|2.725100|2.836645|2.482944|0.072186|2.527397|2.148237|1.945098|3.082899|3.569708|2.968742|5.092363|3.780197|3.738990|4.585357|6.752787|7.022827|4.758534|16.450259|17.537431|2.588000|2.362905|2.339670|2.527914|2.814364|2.851268|5.221587|0.031307|0.031315|0.031176|0.036023|0.036035|0.042302|0.052303|0.037756|0.086691|0.113333|0.225795|0.119814|0.300005|0.299221|0.500000|
|1.673560|1.879773|3.712416|2.415594|2.487564|2.919881|3.483621|3.287393|2.703035|28.108097|5.049345|5.924726|8.878992|6.936345|0.140323|6.447854|6.107576|6.108977|8.738029|8.711686|5.061045|7.784243|4.162630|3.511699|2.944639|2.805583|3.103890|3.792754|4.974531|2.372737|8.901826|17.733977|8.929685|5.633793|4.960616|5.659681|6.512154|0.046814|0.045190|0.043327|0.053269|0.050908|0.062186|0.079829|0.070206|0.095803|0.072936|0.068340|0.110027|0.062210|0.065953|0.060581|0.500000|
|1.596313|1.780900|3.429543|2.183736|2.280770|2.604645|2.891005|2.697834|2.341481|20.803338|3.446601|4.527271|5.134649|4.074786|0.096537|3.723420|3.444221|3.458091|5.483935|5.426029|3.431228|5.584158|3.213535|2.787479|2.524353|2.547754|2.857308|3.254468|4.889508|2.391247|5.645139|8.943269|17.700317|8.940695|5.675589|4.978050|7.561418|0.045016|0.042482|0.041823|0.051593|0.047873|0.058620|0.072888|0.060915|0.073444|0.063179|0.064104|0.096867|0.064492|0.067453|0.059584|0.215882|0.500000|
|1.612312|1.816916|3.403854|2.163509|2.354587|2.705222|2.819908|2.506386|2.217667|17.897088|3.012442|4.316317|4.246225|3.527316|0.091119|3.081343|2.713913|2.729040|4.336420|4.268160|2.979926|4.768839|3.093365|2.802512|2.694548|2.821839|3.114865|3.278111|5.481676|2.776114|4.922695|5.615504|8.839923|17.726452|8.952231|5.649319|13.201319|0.045040|0.042444|0.042811|0.053566|0.049346|0.062192|0.079425|0.056596|0.072028|0.067936|0.072847|0.093763|0.074955|0.081838|0.067346|0.123698|0.213562|0.500000|
|1.827352|2.131377|4.052823|2.711549|3.116766|4.012841|4.306519|3.387069|2.790875|23.777736|4.797121|7.792362|6.851721|7.035273|0.231472|4.917808|3.759016|3.807859|5.600394|5.439591|4.551067|6.350029|5.414264|5.716154|5.298944|4.763595|4.585197|4.833719|6.663644|3.287746|8.934617|5.658556|4.977593|5.646245|8.921286|17.693635|12.825441|0.049435|0.048902|0.048077|0.061119|0.060116|0.080179|0.126802|0.068229|0.146834|0.131551|0.114163|0.115881|0.080254|0.099125|0.083257|0.124274|0.107918|0.124392|0.500000|
|1.724191|1.991927|3.664058|2.374807|2.752448|3.327321|3.269991|2.682863|2.349343|18.129829|3.237699|5.120844|4.428904|3.939829|0.116612|3.231881|2.679257|2.693312|4.191807|4.117215|3.196126|4.861645|3.766469|3.822463|4.028787|4.207031|4.129656|3.894648|6.735595|3.574051|5.018901|4.194263|4.453440|6.067094|10.035321|7.872427|35.774278|0.046813|0.045534|0.046139|0.058454|0.056018|0.074201|0.107507|0.058189|0.095780|0.103671|0.111061|0.098525|0.089179|0.115599|0.087103|0.094473|0.101288|0.151741|0.234795|0.500000|
1988.085400
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3897.415976
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