Version2.1 2021-01-26T22:36:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](c1ccccc1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)c4ccccc4 C39596889 RHF 6-31G(d) (6D,7F) CC[C@@H](c1ccccc1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)c4ccccc4 C01[X(C27H36N3O2)] 198 C1 552 CC[C@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](c1ccccc1)C)c1ccccc1 CC[C@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](c1ccccc1)C)c1ccccc1 CC[C@H](C(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccccc2)C3(CC[NH2+]CC3)C1)c4ccccc4 InChIKey=HQJOGGVNNCSARW-OYDLWJJNSA-O InChI=1S/C27H35N3O2/c1-3-23(22-12-8-5-9-13-22)26(32)30-18-24(27(19-30)14-16-28-17-15-27)25(31)29-20(2)21-10-6-4-7-11-21/h4-13,20,23-24,28H,3,14-19H2,1-2H3,(H,29,31)/p+1/t20-,23-,24-/m0/s1 InChI=1/C27H35N3O2/c1-3-23(22-12-8-5-9-13-22)26(32)30-18-24(27(19-30)14-16-28-17-15-27)25(31)29-20(2)21-10-6-4-7-11-21/h4-13,20,23-24,28H,3,14-19H2,1-2H3,(H,29,31)/p+1/t20-,23-,24-/m0/s1/fC27H36N3O2/h28-29H/q+1 CC[C@@H](c1ccccc1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)c4ccccc4 C01[X(C27H36N3O2)] 198 C01 552 CC[C@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](c1ccccc1)C)c1ccccc1 CC[C@H](C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)[C]([NH][C@H]([C]1[CH][CH][CH][CH][CH]1)C)=O)[C]1[CH][CH][CH][CH][CH]1 CC[C@@H]([C]1[CH][CH][CH][CH][CH]1)C(=O)N2C[C@@H](C(=O)N[C@@H](C)[C]3[CH][CH][CH][CH][CH]3)C4(CC[NH2]CC4)C2 InChIKey=QCUYUDOSXDDNJI-OYDLWJJNSA-N InChI=1S/C27H36N3O2/c1-3-23(22-12-8-5-9-13-22)26(32)30-18-24(27(19-30)14-16-28-17-15-27)25(31)29-20(2)21-10-6-4-7-11-21/h4-13,20,23-24H,3,14-19,28H2,1-2H3,(H,29,31)/t20-,23-,24-/m0/s1 InChI=1/C27H36N3O2/c1-3-23(22-12-8-5-9-13-22)26(32)30-18-24(27(19-30)14-16-28-17-15-27)25(31)29-20(2)21-10-6-4-7-11-21/h4-13,20,23-24H,3,14-19,28H2,1-2H3,(H,29,31)/t20-,23-,24-/m0/s1/f/h29H 3352.1839968532 -1356.3271544 1-A 15506.7540 117 435 552 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.62296 -20.60495 -15.86379 -15.67809 -15.67804 -11.45213 -11.44872 -11.44813 -11.42652 -11.38464 -11.38396 -11.37638 -11.37342 -11.36479 -11.36321 -11.35303 -11.31939 -11.31301 -11.31253 -11.30496 -11.30235 -11.30215 -11.30077 -11.30049 -11.29930 -11.29855 -11.29650 -11.29517 -11.29419 -11.28780 -11.28688 -11.27028 -1.49837 -1.49223 -1.47676 -1.36040 -1.33235 -1.25481 -1.22805 -1.22793 -1.21256 -1.16852 -1.15699 -1.12882 -1.10368 -1.08685 -1.08170 -1.07896 -1.06188 -1.04495 -1.04030 -1.01267 -0.99021 -0.95881 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 13.2672 17.0943 22.6266 24.0296 37.6194 47.0441 52.7340 60.7951 73.6164 86.4878 96.5261 118.9547 126.2686 129.3298 153.4862 168.5340 193.2469 203.5683 218.3248 228.7128 237.9975 256.9271 258.6766 271.2258 276.3115 283.5656 302.2199 323.5497 345.7615 357.5492 370.6768 378.0374 395.5533 432.0663 450.6681 455.5026 458.3576 482.1678 498.5156 514.8252 549.4669 558.8673 572.9100 579.8880 601.6079 632.9178 633.6556 678.1035 679.6261 690.9698 758.2623 778.9061 782.5040 782.9342 806.0652 825.6421 843.3875 847.4522 855.8131 861.6241 872.1051 878.1859 897.6546 926.0984 939.7504 945.9356 951.0599 959.4146 965.8748 982.4288 993.1337 997.3988 1024.9523 1045.0128 1050.5607 1058.1559 1079.1925 1088.9720 1089.0068 1090.3528 1103.3698 1104.9858 1110.2105 1110.7332 1125.7100 1125.9347 1133.4239 1134.3360 1135.9469 1138.7178 1141.6095 1145.6967 1177.1889 1178.8308 1185.3469 1196.2038 1198.0011 1206.3316 1217.8651 1228.0873 1235.9231 1244.2933 1248.7962 1286.1965 1296.8552 1307.1993 1308.6193 1320.4988 1323.0921 1331.7055 1334.7771 1344.4283 1349.1451 1356.6035 1373.3190 1382.5263 1397.1048 1417.0929 1421.8294 1449.3884 1454.3402 1455.3939 1464.6535 1466.9482 1498.3465 1502.3265 1507.2972 1509.7538 1517.9226 1518.4873 1540.7184 1544.2277 1556.7358 1560.5391 1565.1186 1567.5773 1568.3527 1575.5391 1582.4990 1622.4012 1622.8392 1629.6451 1631.7561 1632.3490 1640.5492 1644.2005 1644.2660 1648.1921 1651.4897 1658.9667 1669.5775 1673.3686 1676.3461 1694.9115 1700.2683 1782.2839 1785.0020 1807.9400 1811.7937 1827.5925 1922.1658 1926.9625 3192.5887 3201.1009 3205.7266 3213.7176 3219.3662 3220.5936 3224.6013 3241.6690 3258.9981 3264.5388 3277.9159 3280.0026 3282.6514 3284.1312 3290.6039 3293.1689 3295.6415 3298.9871 3301.1757 3307.2527 3337.9341 3340.3469 3346.8625 3348.4582 3356.6404 3360.9375 3364.2074 3372.4465 3374.6146 3381.3506 3385.0696 3393.8364 3393.9375 3667.5296 3731.1761 3878.0688 5.1229 4.6565 4.6658 3.7977 4.9049 5.2458 4.7794 3.9143 3.1002 4.0758 3.1828 3.9088 4.4276 3.2279 3.3389 3.0029 3.3711 4.1597 3.7423 3.1581 3.0619 3.0346 2.6422 1.4396 1.1466 2.0702 3.9664 5.2794 3.8741 2.6107 3.6911 4.0969 2.8880 2.4454 3.0004 2.9246 2.9344 2.5363 1.7895 1.7672 3.4896 4.3213 2.9462 2.7668 3.1389 3.6407 3.7904 6.2486 6.0842 2.6292 4.3118 5.2104 1.9640 2.0751 3.4190 1.5020 3.3267 3.4036 2.1306 1.8946 1.6809 3.2104 3.3576 2.1828 1.5040 3.1909 2.6868 1.2477 1.2475 2.4299 2.4544 2.4491 2.2431 1.4313 1.4566 1.8522 1.9479 5.4722 4.3425 2.2961 2.3695 1.4015 1.3700 2.6292 2.1390 2.3302 1.9882 1.3686 1.3921 2.3499 1.8888 1.7753 1.9845 2.0441 1.7736 2.7447 1.8675 2.4303 2.3484 1.7321 1.5368 1.7443 1.9431 1.5510 1.9526 1.1704 1.1551 1.7772 2.0036 1.3141 1.6948 1.5823 1.6459 1.2581 2.0251 1.6650 1.3192 1.9870 1.6031 1.1872 1.4620 1.2475 1.4924 1.3112 1.4070 1.3339 1.3847 1.4342 1.3614 1.4018 1.5178 1.4462 1.3050 1.5481 1.2778 1.5701 1.4225 1.9171 1.3857 2.1073 2.0676 1.0956 1.0810 1.0691 1.0833 1.0473 1.0859 1.0514 1.0687 1.0883 2.1106 2.0984 1.1143 1.0966 1.9634 5.1112 5.1113 5.1394 5.2157 1.0767 8.9303 11.0918 1.0752 1.0433 1.0727 1.0751 1.0732 1.0359 1.0784 1.0840 1.0961 1.0594 1.0946 1.0608 1.0731 1.0990 1.0850 1.1003 1.0987 1.1013 1.0972 1.1079 1.1041 1.0995 1.1102 1.0890 1.0875 1.0894 1.0888 1.0923 1.0925 1.0957 1.0953 1.0990 1.0984 1.0559 1.0961 1.0793 0.0005 0.0008 0.0014 0.0013 0.0041 0.0068 0.0078 0.0085 0.0099 0.0180 0.0175 0.0326 0.0416 0.0318 0.0463 0.0503 0.0742 0.1016 0.1051 0.0973 0.1022 0.1180 0.1042 0.0624 0.0516 0.0981 0.2134 0.3256 0.2729 0.1966 0.2988 0.3450 0.2662 0.2690 0.3590 0.3575 0.3632 0.3474 0.2620 0.2760 0.6207 0.7952 0.5697 0.5482 0.6694 0.8593 0.8967 1.6929 1.6557 0.7396 1.4607 1.8625 0.7085 0.7495 1.3088 0.6033 1.3942 1.4402 0.9194 0.8287 0.7533 1.4587 1.5940 1.1030 0.7826 1.6822 1.4319 0.6767 0.6857 1.3818 1.4263 1.4355 1.3884 0.9209 0.9472 1.2219 1.3367 3.8234 3.0342 1.6083 1.6996 1.0082 0.9949 1.9112 1.5971 1.7405 1.5048 1.0375 1.0584 1.7953 1.4504 1.3730 1.6203 1.6736 1.4683 2.3139 1.5792 2.0837 2.0522 1.5392 1.3831 1.5912 1.7854 1.5117 1.9348 1.1783 1.1655 1.8259 2.0666 1.3731 1.7791 1.6851 1.7651 1.3642 2.2503 1.8750 1.5171 2.3510 1.9094 1.4694 1.8219 1.5569 1.8863 1.6624 1.8611 1.7738 1.8536 1.9261 1.8481 1.9043 2.1229 2.0319 1.8633 2.2213 1.8443 2.2732 2.0615 2.8038 2.0446 3.2681 3.2083 1.7143 1.6958 1.6784 1.7179 1.6681 1.7297 1.6828 1.7173 1.7646 3.4664 3.4619 1.8449 1.8561 3.3442 9.5658 9.5953 9.8975 10.0874 2.1188 19.4400 24.2661 6.4571 6.2988 6.4949 6.5422 6.5533 6.3308 6.6066 6.7113 6.8591 6.6518 6.9297 6.7243 6.8132 6.9840 6.9219 7.0308 7.0310 7.0617 7.0449 7.1396 7.2481 7.2284 7.3270 7.1937 7.2192 7.2504 7.2608 7.3192 7.3301 7.3810 7.3948 7.4580 7.4548 8.3682 8.9906 9.5635 1.3177 0.4879 0.9554 0.2576 4.4262 3.6475 6.5795 0.6827 2.8530 1.4134 1.2561 0.4064 0.0771 6.0101 6.1181 3.1509 4.4678 0.6132 7.8802 7.2163 2.0531 3.2834 3.6695 1.3950 0.5795 1.6342 4.4845 25.4653 1.2901 3.0691 1.5838 11.5210 3.9844 0.2728 13.6636 0.0892 0.3605 4.9372 41.2566 26.0073 12.7730 6.5557 1.0089 1.8825 21.8938 14.5270 6.6290 0.1099 0.0910 5.5944 5.9850 1.2642 55.3720 10.6161 17.6869 37.4531 3.1657 2.1074 50.7638 28.4583 7.3015 4.7277 8.2683 0.4592 9.8865 7.6443 4.0414 0.5708 0.0741 4.0042 7.7754 7.5451 5.5717 5.4874 1.5733 13.3412 1.8006 1.6630 2.9754 12.1710 3.1030 0.3263 0.0762 2.3356 6.5911 5.3763 1.8428 0.5133 1.4892 6.5279 0.4842 1.1088 4.5952 2.1610 3.4869 3.6085 0.8108 0.8635 26.9500 6.5982 7.2070 1.9672 0.0710 21.3798 4.5128 0.2962 0.1224 5.1960 34.0458 71.6605 0.0350 17.8381 2.2525 50.7017 72.4158 69.7415 2.0738 39.7055 25.2710 28.6133 5.6062 6.4623 12.4491 19.3735 36.1089 8.2224 1.9457 46.7033 17.5053 3.6419 8.5781 4.4914 10.3768 27.5049 18.5826 123.0496 5.1111 210.1143 61.0158 27.0305 8.4841 3.0404 27.5165 2.8148 9.1390 7.6677 11.8117 5.5390 2.3264 14.4220 13.2369 52.4232 23.2334 4.1535 528.1520 3.7836 2.8644 4.0177 0.3062 101.0189 124.2064 417.1411 13.1852 30.8188 22.2058 14.9822 24.5437 19.0750 31.8633 44.5755 24.0443 20.3182 4.3021 7.5156 5.8446 29.2379 6.2132 47.1308 28.1124 29.6495 7.8395 30.4346 4.1742 4.5865 4.4737 9.6508 8.9684 2.6501 1.0932 9.5597 18.7096 35.6557 20.1046 16.1205 12.6595 76.9222 76.1387 41.0900 0.1709 0.7716 0.5935 8.0816 1.6682 3.5847 2.8437 8.1982 0.5856 1.1168 0.1584 2.7556 1.6707 0.3395 0.7078 1.5599 1.6436 1.3790 2.4619 0.7545 1.4767 0.3017 0.3088 0.5302 0.1761 0.2596 2.0487 1.3009 0.3448 1.5656 2.9219 2.4163 0.1551 0.1842 2.4408 0.0762 0.3861 1.1622 1.2076 1.0041 1.6533 1.0589 3.2281 0.9704 1.1448 0.5769 1.9853 3.6143 5.4380 2.0314 0.8713 1.8109 1.3382 0.6344 6.6531 0.4110 6.2321 13.5354 0.5250 0.7010 3.8808 4.1157 0.1173 3.6893 0.6319 7.8581 1.9139 3.5544 2.3938 4.5070 2.7668 10.2696 2.1882 1.1014 0.6893 2.7296 6.1621 33.3176 16.0483 5.8849 4.3725 0.3834 0.3720 7.6238 2.9301 13.7729 5.8844 0.3346 0.8088 4.3334 5.8358 4.8406 1.8381 2.3066 0.1091 3.1422 2.3376 2.4274 1.7870 4.0976 6.2079 4.8638 2.5581 5.0047 8.5097 4.4445 5.4757 3.0362 11.2708 2.4627 1.8730 4.6310 4.9692 8.4947 10.1081 8.8094 1.8589 4.3369 1.6311 4.5408 8.0354 11.2069 1.8829 10.7482 1.9870 1.2574 3.3599 1.3306 0.9875 3.7142 1.4718 0.4841 3.1495 3.4574 1.2674 7.0636 1.7306 5.2387 0.6073 0.9331 0.9460 8.7604 18.5763 18.1713 10.8936 18.9576 2.5102 11.9062 3.8340 6.3220 0.5897 1.3470 4.3158 5.5680 5.3038 7.7846 8.9550 22.3526 26.6331 5.9133 3.3070 10.6826 29.9872 68.5451 66.5297 30.3076 61.2594 93.5690 88.9865 85.1260 101.0322 37.9501 41.7069 87.9464 77.6166 78.7965 98.4438 11.4973 52.0024 53.7463 71.4039 29.4692 60.4680 48.2352 49.2450 28.7493 16.7573 70.4544 64.8017 110.9663 67.6234 25.7912 37.9293 241.0283 234.6892 78.5767 59.0767 23.3423 0.7131 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6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 1 6 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 1 1 1 1 1 1 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12730.7475 16359.0312 25496.8982 0.99959 -0.02817 -0.00428 0.02813 0.99957 -0.00884 0.00453 0.00871 0.99995 1 0.00680 0.00529 0.00340 0.14176 0.11032 0.07078 19.09 24.59 32.55 34.57 54.13 67.69 75.87 87.47 105.92 124.44 138.88 171.15 181.67 186.08 220.83 242.48 278.04 292.89 314.12 329.07 342.43 369.66 372.18 390.23 397.55 407.99 434.83 465.52 497.47 514.43 533.32 543.91 569.11 621.65 648.41 655.37 659.47 693.73 717.25 740.72 790.56 804.09 824.29 834.33 865.58 910.63 911.69 975.64 977.83 994.15 1090.97 1120.67 1125.85 1126.47 1159.75 1187.91 1213.45 1219.29 1231.32 1239.68 1254.76 1263.51 1291.52 1332.45 1352.09 1360.99 1368.36 1380.38 1389.68 1413.50 1428.90 1435.03 1474.68 1503.54 1511.52 1522.45 1552.72 1566.79 1566.84 1568.77 1587.50 1589.83 1597.35 1598.10 1619.65 1619.97 1630.74 1632.06 1634.37 1638.36 1642.52 1648.40 1693.71 1696.07 1705.45 1721.07 1723.66 1735.64 1752.24 1766.94 1778.22 1790.26 1796.74 1850.55 1865.89 1880.77 1882.81 1899.90 1903.63 1916.03 1920.45 1934.33 1941.12 1951.85 1975.90 1989.15 2010.12 2038.88 2045.70 2085.35 2092.47 2093.99 2107.31 2110.61 2155.79 2161.51 2168.66 2172.20 2183.95 2184.76 2216.75 2221.80 2239.80 2245.27 2251.86 2255.39 2256.51 2266.85 2276.86 2334.27 2334.90 2344.70 2347.73 2348.59 2360.38 2365.64 2365.73 2371.38 2376.13 2386.88 2402.15 2407.60 2411.89 2438.60 2446.31 2564.31 2568.22 2601.22 2606.77 2629.50 2765.57 2772.47 4593.42 4605.67 4612.33 4623.82 4631.95 4633.72 4639.48 4664.04 4688.97 4696.94 4716.19 4719.19 4723.00 4725.13 4734.45 4738.14 4741.69 4746.51 4749.66 4758.40 4802.54 4806.01 4815.39 4817.68 4829.46 4835.64 4840.34 4852.20 4855.32 4865.01 4870.36 4882.97 4883.12 5276.76 5368.33 5579.68 0.642115 0.670525 0.671469 0.579120 -1355.685040 -1355.656630 -1355.655686 -1355.748034 3.097367D-04 MUNgauss RevisionA2.0 retrievium 26-Jan-2021 DUDE CC[C@@H](c1ccccc1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)c4ccccc4 C39596889 RHF 6-31G(d) (6D,10F) C1 434.280753 |X|Y|Z| 89.930542 78.860321 34.641473 62.630715 27 6 7 24 3 |36.858105| |12.472105|36.858105| |7.431589|12.359106|36.858105| |6.944416|8.898800|17.544838|0.500000| |6.104907|7.440052|12.468960|0.248795|36.858105| |5.334988|5.405535|7.517838|0.204944|13.705953|36.858105| |4.110753|4.047171|4.992277|0.133468|7.886273|13.734933|36.858105| |3.647390|3.727846|4.408662|0.111045|6.819429|7.936524|13.763662|36.858105| |3.867666|4.233943|4.991772|0.116709|7.899037|6.897166|7.957678|13.737786|36.858105| |4.830438|5.868267|7.495835|0.155768|13.678525|7.962082|6.880189|7.923891|13.762373|36.858105| |4.898775|7.589327|12.478735|0.247828|7.625770|5.218978|3.973805|3.763883|4.427017|6.383337|36.858105| |4.423367|6.823985|7.959509|0.166043|5.857156|4.175072|3.403014|3.384750|4.116096|5.756318|15.845206|73.516695| |3.840775|5.122920|7.681106|0.203843|5.906916|4.690093|3.698098|3.447276|3.854429|5.012486|13.970307|15.248493|53.358707| |3.572204|4.322814|6.405559|0.201582|5.561723|5.071862|3.979520|3.513265|3.665613|4.458937|7.542738|9.428366|17.829048|36.858105| |2.774051|3.249156|4.284463|0.126924|3.992100|3.766115|3.238651|2.980927|3.090130|3.534160|5.159239|7.478608|10.958169|12.307303|36.858105| |2.572904|2.917773|3.706481|0.113513|3.455470|3.397373|2.962450|2.686700|2.715405|3.035950|4.187779|6.214425|7.996837|8.751589|17.558218|0.500000| |2.632924|3.168448|3.965350|0.112424|3.520232|3.163161|2.743158|2.610086|2.800228|3.248122|5.231324|8.204481|11.049355|7.829038|12.272204|0.241743|36.858105| |3.043419|3.890269|4.990652|0.131238|4.264421|3.551046|3.014583|2.928246|3.291996|4.025156|7.865802|12.684828|17.871468|7.864869|7.933098|0.158443|12.386556|36.858105| |2.574523|3.046860|3.631214|0.107019|3.088706|2.823830|2.431906|2.278940|2.410874|2.788708|4.533220|7.228892|8.523776|6.211127|7.584423|0.204078|12.306876|7.509367|36.858105| |2.330811|2.753314|3.099765|0.088401|2.648451|2.396609|2.101147|2.008706|2.149450|2.467209|3.862022|6.669827|6.482009|4.315725|4.881390|0.130135|7.410312|6.024197|12.498695|36.858105| |2.021441|2.350190|2.634810|0.073940|2.351286|2.150742|1.933993|1.877740|2.006341|2.250057|3.225829|5.682355|5.307139|3.624383|4.360605|0.116741|6.439084|5.101514|7.676880|12.650112|53.358707| |1.903641|2.201514|2.410502|0.067097|2.155948|1.969673|1.782803|1.742561|1.867108|2.083893|2.915284|5.261439|4.598164|3.098323|3.566170|0.095606|4.905837|4.284100|5.672022|9.172034|25.685515|0.500000| |1.902423|2.173780|2.440476|0.069425|2.205917|2.055455|1.861265|1.796507|1.893953|2.098439|2.901229|5.015039|4.769697|3.427111|4.229978|0.119115|5.755668|4.344076|7.001716|9.197317|25.678609|0.328351|0.500000| |2.042874|2.397376|2.741203|0.075264|2.511016|2.275465|2.066831|2.038093|2.202076|2.457955|3.435157|6.107494|5.741063|3.842199|4.827986|0.121306|7.479038|6.028545|6.512329|7.586398|17.191256|0.254253|0.255673|36.858105| |2.195566|2.575234|3.075889|0.085515|2.864675|2.622799|2.371952|2.314098|2.475438|2.762389|3.859085|6.487789|6.965046|4.976586|7.339361|0.174120|12.383440|7.408249|7.619765|6.481981|10.450578|0.157518|0.195539|12.516507|36.858105| |2.535795|2.911817|3.779421|0.107121|3.879681|3.753200|3.426286|3.248358|3.332173|3.626572|4.370536|6.616951|8.063581|7.606508|12.446518|0.247045|7.352232|6.063565|4.899951|3.715356|4.917458|0.085042|0.098289|4.267325|6.389471|36.858105| |2.446440|2.844322|3.620076|0.097912|3.795346|3.536524|3.311071|3.300306|3.511928|3.779963|4.325235|6.872925|7.563570|5.962468|7.947053|0.164966|6.589239|6.230245|4.334893|3.532375|4.839017|0.085112|0.094413|4.461778|6.475466|15.802372|73.516695| |2.373803|2.624389|3.330743|0.096721|3.531992|3.657212|3.468140|3.214134|3.131005|3.265394|3.573047|5.447602|6.088405|5.922395|7.868428|0.210110|5.078225|4.311329|3.941898|3.082096|4.097214|0.072399|0.084223|3.394900|4.655581|14.211422|15.112731|53.358707| |2.167824|2.352154|2.899166|0.082199|3.212773|3.397029|3.448402|3.306230|3.139984|3.099034|3.029921|4.765026|4.820277|4.273478|4.991338|0.132666|3.779283|3.445655|3.052187|2.530280|3.433274|0.062238|0.070429|2.859405|3.679323|7.720641|12.063555|17.614557|36.858105| |2.273836|2.488961|3.089202|0.085334|3.544871|3.695410|3.841235|3.825162|3.666638|3.536406|3.239686|5.125357|5.045675|4.290919|4.750773|0.119141|3.724588|3.590760|2.952350|2.482188|3.357372|0.061290|0.067676|2.838036|3.599204|7.402362|13.416038|12.612153|17.630001|0.500000| |1.867320|2.023833|2.415393|0.067920|2.605528|2.685419|2.726120|2.684680|2.607605|2.570548|2.570490|4.172219|4.048082|3.406351|4.121004|0.112299|3.409757|3.048889|2.802263|2.399892|3.379348|0.061711|0.070289|2.848499|3.597237|5.877194|10.184144|10.477550|12.460836|0.248811|36.858105| |2.136874|2.248095|2.729114|0.078831|3.066026|3.430228|3.603224|3.330660|2.998356|2.895140|2.717462|4.257609|4.175827|3.737353|4.020458|0.112182|3.097985|2.873077|2.652028|2.219861|2.962191|0.054364|0.061082|2.382095|2.937917|5.215365|8.078495|10.663847|12.537144|0.249139|7.448451|36.858105| |2.264284|2.340742|2.828627|0.080971|3.322249|3.890386|4.384946|4.012529|3.404095|3.155407|2.718439|4.259853|4.019579|3.510493|3.505145|0.095240|2.776633|2.691944|2.404473|2.040443|2.689737|0.049876|0.054816|2.150299|2.585155|4.322790|7.024977|7.650388|7.567331|0.206395|5.166958|13.713099|36.858105| |2.151957|2.164324|2.544025|0.073603|2.950375|3.530520|4.040167|3.614036|3.003476|2.774911|2.389240|3.774449|3.460060|2.980916|2.917680|0.081085|2.376182|2.308251|2.127446|1.828811|2.399947|0.044888|0.049103|1.883667|2.212224|3.369120|5.493349|5.675137|5.013040|0.134067|3.929626|7.895433|13.742874|36.858105| |1.958432|1.961541|2.273707|0.066658|2.539636|2.971244|3.235922|2.897064|2.495461|2.367495|2.154636|3.420749|3.150257|2.726462|2.729267|0.078241|2.239615|2.127434|2.047923|1.765104|2.324589|0.043526|0.048080|1.801917|2.104597|3.068317|4.926415|5.211692|4.418517|0.111266|3.702842|6.822720|7.933586|13.760123|36.858105| |1.874775|1.906275|2.221369|0.065472|2.419891|2.751895|2.882186|2.606963|2.321415|2.251192|2.153966|3.418858|3.223524|2.829336|2.952477|0.086878|2.397761|2.212849|2.194344|1.877092|2.492991|0.046398|0.052128|1.930988|2.281226|3.342464|5.248322|5.922542|4.992906|0.116671|4.320940|7.892327|6.889340|7.956366|13.745900|36.858105| |1.946833|2.022628|2.402060|0.070448|2.611633|2.911092|2.999101|2.745145|2.491957|2.439949|2.384557|3.765457|3.658752|3.266736|3.562150|0.104898|2.809050|2.542346|2.500304|2.106783|2.821094|0.051948|0.059088|2.220379|2.695493|4.262872|6.529716|8.278820|7.494235|0.155596|6.171602|13.684327|7.965197|6.889279|7.933212|13.755299|36.858105| |17.563334|8.834010|5.448582|0.141943|4.638407|4.130095|3.405707|3.131536|3.336232|4.006542|4.088411|6.953909|4.465336|3.024217|2.436875|0.063302|2.362395|2.711771|2.340514|2.170057|2.576135|0.050047|0.049462|1.899643|2.006306|2.237874|3.872513|2.857003|1.933793|0.056172|1.693060|1.905552|2.009467|1.924490|1.767664|1.696093|1.752744|0.500000| |17.578518|8.750375|6.668769|0.169034|6.706214|6.197181|4.885324|4.299364|4.462512|5.392799|4.450839|7.150345|4.860278|3.399787|2.673006|0.068770|2.492345|2.861188|2.386376|2.151739|2.585886|0.049653|0.049911|1.944870|2.107520|2.516742|4.343298|3.250320|2.221839|0.065361|1.900744|2.214506|2.395748|2.290053|2.055232|1.937968|2.000050|0.302183|0.500000| |17.524248|8.757659|6.755747|0.206835|5.458256|5.225844|3.974388|3.385254|3.445611|4.166960|4.552355|7.044091|5.151273|3.689618|2.842251|0.074625|2.653912|2.975850|2.648435|2.365233|2.768066|0.052959|0.053612|2.029343|2.195368|2.554261|4.289285|3.297044|2.188649|0.062846|1.878601|2.183390|2.301866|2.208929|2.032641|1.950549|2.012653|0.302104|0.301449|0.500000| |8.832751|17.601652|8.847047|0.174533|6.831518|4.833427|3.862275|3.777817|4.534344|6.390611|6.902297|12.859820|6.316263|3.812304|2.994890|0.074086|2.980978|3.735678|2.810836|2.600989|3.083906|0.059494|0.057876|2.345948|2.487351|2.763600|4.935669|3.371315|2.260779|0.067308|1.966122|2.142369|2.238994|2.062707|1.859574|1.803083|1.916608|0.212343|0.210191|0.172572|0.500000| |8.870844|17.540292|8.874287|0.212737|5.480399|4.299433|3.348472|3.103475|3.469546|4.560409|7.174443|12.144603|6.900171|4.182887|3.208518|0.080849|3.240422|3.962839|3.239995|2.985199|3.387473|0.065112|0.063512|2.484128|2.617362|2.792019|4.823987|3.399967|2.213244|0.064219|1.931934|2.103041|2.151420|1.994364|1.835087|1.804968|1.917990|0.215119|0.172908|0.210103|0.305068|0.500000| |5.413533|5.177712|6.986286|0.226845|8.903973|17.693574|8.935154|5.651251|4.962793|5.650031|4.832874|6.795751|6.167210|5.215926|3.806211|0.098561|3.144118|3.407224|2.895942|2.427364|2.929668|0.054612|0.057601|2.234813|2.577636|3.641976|5.881202|4.939427|3.285526|0.095572|2.606064|3.402320|3.788016|3.542348|3.067715|2.854289|2.976360|0.115569|0.166321|0.161966|0.121806|0.119149|0.500000| |3.612596|3.436966|4.080887|0.114351|5.627885|8.922949|17.715885|8.909521|5.649864|4.955687|3.339034|5.143254|4.361135|3.546859|2.978754|0.077801|2.506971|2.670660|2.257932|1.953689|2.461024|0.046375|0.048802|1.916645|2.195905|3.158101|5.335083|4.523080|3.371940|0.101643|2.674840|3.721215|4.724719|4.652651|3.654601|3.129768|3.150784|0.085097|0.117418|0.100363|0.090236|0.081461|0.216244|0.500000| |3.083874|3.099308|3.530356|0.090921|4.924298|5.642091|8.909092|17.719294|8.903660|5.639428|3.121637|5.108166|3.978547|2.997078|2.641432|0.067120|2.332269|2.565738|2.050108|1.825839|2.352315|0.044773|0.046188|1.876445|2.115875|2.919606|5.310842|4.016002|3.145356|0.100985|2.606662|3.234659|3.991005|3.689734|2.923393|2.584008|2.681599|0.075694|0.099630|0.080414|0.087767|0.073617|0.124230|0.214412|0.500000| |3.325100|3.641587|4.077830|0.096518|5.633086|4.964762|5.653551|8.910994|17.720031|8.938261|3.839316|6.677449|4.612539|3.169164|2.780356|0.068175|2.586039|3.034946|2.228114|2.024030|2.609090|0.049945|0.050186|2.119859|2.347952|3.031049|5.833684|3.865007|2.903395|0.094569|2.486014|2.742599|3.076091|2.728477|2.290714|2.141994|2.298362|0.082555|0.104313|0.082262|0.111441|0.085502|0.107694|0.124129|0.214670|0.500000| |4.561980|5.961496|6.958957|0.140851|8.899463|5.653504|4.956270|5.645172|8.937399|17.723759|6.898646|12.607796|6.944028|4.192949|3.415677|0.080863|3.304222|4.282720|2.833565|2.566336|3.189570|0.060725|0.059918|2.577556|2.833977|3.450461|6.570308|4.114721|2.847426|0.089611|2.430496|2.606809|2.766819|2.440539|2.122231|2.046924|2.227726|0.109336|0.134040|0.107359|0.199176|0.132877|0.124077|0.107579|0.124191|0.216241|0.500000| |3.702353|4.336585|6.093755|0.217374|4.968933|4.746548|3.684697|3.173596|3.237405|3.884072|6.418786|8.317105|12.307179|17.552257|8.739893|0.225865|6.420312|6.077134|6.232221|4.297487|4.735260|0.083311|0.092789|3.484988|4.294721|5.651402|8.055600|6.703543|3.681791|0.100013|3.011197|3.395133|3.210148|2.829719|2.649165|2.751578|3.094158|0.087040|0.095582|0.110845|0.102391|0.120266|0.145956|0.093744|0.076030|0.078078|0.101398|0.500000| |3.722672|4.359949|6.704251|0.208430|6.765698|6.607824|5.030769|4.259368|4.304952|5.166021|6.798385|8.635193|12.279791|17.629754|8.705942|0.191543|5.717216|5.982588|4.619133|3.478644|4.151874|0.074041|0.081039|3.281351|4.165921|7.538051|10.631520|8.820253|4.828039|0.138300|3.619282|4.327192|4.207255|3.490193|3.090462|3.138233|3.625343|0.085966|0.102083|0.106320|0.107421|0.111154|0.185389|0.122185|0.098524|0.099853|0.126515|0.302653|0.500000| 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|2.465408|2.980525|3.295176|0.091575|2.764226|2.441914|2.130648|2.056368|2.237241|2.604224|4.251701|7.694918|6.838459|4.192003|4.437292|0.113188|6.609165|6.538846|8.735299|17.647695|12.440868|0.225510|0.181242|6.914982|5.678973|3.490362|6.090043|3.914755|2.405866|0.066796|2.266958|2.115568|1.975682|1.772089|1.694164|1.779508|1.984830|0.064125|0.062728|0.068499|0.079152|0.091172|0.067915|0.054491|0.051698|0.058766|0.076787|0.113997|0.094899|0.143093|0.239062|0.214508|0.173238|0.500000| |2.216586|2.564294|2.815327|0.081443|2.405778|2.209441|1.944019|1.847846|1.957379|2.227699|3.356876|5.792318|5.393455|3.724205|4.071221|0.113723|5.425052|4.590748|8.769982|17.624941|12.364503|0.222261|0.224932|5.574764|4.889757|3.176370|5.313375|3.730978|2.282677|0.061764|2.175057|2.045785|1.888328|1.716228|1.672632|1.778950|1.971564|0.057894|0.056584|0.063126|0.066881|0.078004|0.062885|0.050684|0.046906|0.051229|0.063932|0.107369|0.085430|0.105178|0.141448|0.212783|0.217069|0.301606|0.500000| |2.133511|2.546039|2.880080|0.077324|2.617071|2.320429|2.101042|2.095005|2.305533|2.603165|3.713589|6.889522|6.013393|3.769061|4.423219|0.107644|6.721164|6.613857|5.752653|6.945280|12.417264|0.223954|0.181106|17.626484|8.748777|3.965631|7.636703|4.277051|2.697554|0.076100|2.647860|2.263463|2.082462|1.827217|1.731031|1.829990|2.085643|0.055318|0.056249|0.058141|0.070205|0.073578|0.062593|0.053590|0.053365|0.062073|0.077488|0.094064|0.090054|0.182410|0.203957|0.129011|0.132314|0.207943|0.142818|0.500000| 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