Version2.0 2020-01-23T07:50:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)C[NH+]2CCC(CC2)NC(=O)C[C@@H](c3ccc4c(c3)OCO4)c5cnc6n5cccc6 C35417783 RHF 6-31G(d) (6D,7F) c1ccc(cc1)C[NH+]2CCC(CC2)NC(=O)C[C@@H](c3ccc4c(c3)OCO4)c5cnc6n5cccc6 C01[X(C29H31N4O3)] 195 C1 602 O=C(C[C@H](c1cnc2n1cccc2)c1ccc2c(c1)OCO2)NC1CC[NH+](CC1)Cc1ccccc1 O=C(C[C@H](c1cnc2n1cccc2)c1ccc2c(c1)OCO2)NC1CC[NH+](CC1)Cc1ccccc1 O=C(C[C@@H](c1ccc2OCOc2c1)c3cnc4ccccn34)NC5CC[NH+](CC5)Cc6ccccc6 InChIKey=QGBFLBMQHLVCDB-DEOSSOPVSA-O InChI=1S/C29H30N4O3/c34-29(31-23-11-14-32(15-12-23)19-21-6-2-1-3-7-21)17-24(22-9-10-26-27(16-22)36-20-35-26)25-18-30-28-8-4-5-13-33(25)28/h1-10,13,16,18,23-24H,11-12,14-15,17,19-20H2,(H,31,34)/p+1/t24-/m0/s1 InChI=1/C29H30N4O3/c34-29(31-23-11-14-32(15-12-23)19-21-6-2-1-3-7-21)17-24(22-9-10-26-27(16-22)36-20-35-26)25-18-30-28-8-4-5-13-33(25)28/h1-10,13,16,18,23-24H,11-12,14-15,17,19-20H2,(H,31,34)/p+1/t24-/m0/s1/fC29H31N4O3/h31-32H/q+1 c1ccc(cc1)C[NH+]2CCC(CC2)NC(=O)C[C@@H](c3ccc4c(c3)OCO4)c5cnc6n5cccc6 C01[X(C29H31N4O3)] 195 C01 602 O=C(C[C@H](c1cnc2n1cccc2)c1ccc2c(c1)OCO2)NC1CC[NH+](CC1)Cc1ccccc1 O=C(C[C@H](C1=CN[C@@H]2N1C=CC=C2)c1ccc2c(c1)OCO2)NC1CC[NH](CC1)Cc1ccccc1 O=C(C[C@@H](c1ccc2OCOc2c1)C3=CN[C@H]4C=CC=CN34)NC5CC[NH](CC5)Cc6ccccc6 InChIKey=IHYNNTKIIFJSIK-RBJSKKJNSA-N InChI=1S/C29H33N4O3/c34-29(31-23-11-14-32(15-12-23)19-21-6-2-1-3-7-21)17-24(22-9-10-26-27(16-22)36-20-35-26)25-18-30-28-8-4-5-13-33(25)28/h1-10,13,16,18,23-24,28,30,32H,11-12,14-15,17,19-20H2,(H,31,34)/t24-,28+/m0/s1 InChI=1/C29H33N4O3/c34-29(31-23-11-14-32(15-12-23)19-21-6-2-1-3-7-21)17-24(22-9-10-26-27(16-22)36-20-35-26)25-18-30-28-8-4-5-13-33(25)28/h1-10,13,16,18,23-24,28,30,32H,11-12,14-15,17,19-20H2,(H,31,34)/t24-,28+/m0/s1/f/h31H 3583.7541811646 -1558.4269545 1-A 30257.0745 128 474 602 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.66016 -20.65837 -20.61996 -15.84342 -15.70667 -15.69030 -15.59789 -11.44259 -11.43964 -11.43954 -11.42956 -11.40375 -11.39738 -11.37899 -11.37531 -11.36218 -11.36212 -11.36050 -11.36020 -11.35601 -11.35293 -11.35114 -11.35084 -11.34969 -11.34857 -11.33098 -11.32733 -11.32433 -11.31499 -11.30960 -11.30806 -11.30118 -11.30103 -11.29962 -11.29761 -11.29367 -1.54785 -1.49113 -1.48555 -1.43686 -1.43293 -1.34824 -1.28661 -1.27434 -1.23338 -1.22851 -1.20056 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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| 8.4382 10.9303 21.8680 23.6574 29.7515 38.3522 47.5985 51.3429 57.9953 68.9804 76.2463 81.2899 96.8640 130.9564 143.0192 167.2709 174.4004 207.6141 227.7384 230.2616 243.4887 246.4912 265.7161 276.0230 292.2676 343.0386 352.1242 358.5921 371.8225 388.7114 403.6749 433.9203 451.4096 455.8192 464.0585 473.4861 478.2489 484.4128 503.4770 518.0970 545.7300 569.3665 595.8409 627.1207 634.7298 641.9964 649.0080 662.5053 678.6198 682.5782 694.1825 725.1387 734.6518 775.7064 778.0879 798.4799 801.9119 827.8430 831.0815 837.8622 842.8019 853.1246 855.5689 875.3404 896.5894 898.7029 902.3937 936.4272 945.3469 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3262.8266 3265.6007 3271.1412 3275.0867 3280.5391 3281.9271 3307.8126 3327.7624 3335.1798 3339.8758 3341.1188 3352.7712 3361.5290 3379.3213 3383.0878 3383.8913 3386.0826 3394.4214 3405.3777 3406.2649 3407.0706 3417.4058 3428.6432 3446.9539 3689.3996 3886.1039 6.2918 4.9042 5.1065 5.2337 5.0820 5.0260 3.3461 5.1001 4.7014 3.5277 3.3646 4.8789 5.1453 5.7332 4.5878 6.2483 4.9618 4.2661 4.2569 3.0938 5.9888 4.5499 3.0542 4.0450 3.2903 2.7880 5.6514 4.6013 2.2473 3.3405 1.6283 4.0792 2.4145 2.6421 4.9804 2.9007 3.1331 3.0470 2.3400 2.8165 4.3991 3.5751 5.6125 3.9395 5.0502 4.3881 4.2682 4.6945 6.2915 3.6146 4.5565 4.0713 3.9469 2.4956 3.2899 5.9950 5.3660 2.1674 3.7909 2.5675 3.0259 2.1042 2.5530 1.6996 3.1874 3.7769 6.4350 1.8283 1.6775 1.5271 1.2518 1.4422 4.7995 1.5112 2.1443 2.9418 2.2506 1.8012 1.8648 1.6520 2.1021 1.6037 1.3350 2.3687 2.7929 3.1655 3.2763 2.9236 1.3919 1.3057 2.2758 7.2288 2.1374 2.6452 1.4460 5.0048 3.2031 1.8002 2.8105 1.7007 1.7488 1.7788 2.2550 1.3132 1.5121 1.4582 1.7936 1.4649 1.8672 2.1288 2.1003 1.1537 2.2605 2.6945 1.4741 1.1522 1.4829 1.8519 1.6542 1.3383 1.5650 1.2061 2.0319 1.3832 2.4646 1.4897 1.3927 2.7601 3.1462 1.2423 1.2990 1.2476 1.9750 1.9513 1.3179 1.6309 1.5566 1.2654 1.4098 1.3432 1.4432 1.3521 2.8913 2.2694 2.0779 1.1014 1.1175 1.1009 1.0909 1.1057 1.0937 2.1778 3.7121 4.0107 1.8800 1.1378 5.9652 5.6067 5.1432 5.1266 6.9198 7.1056 5.7684 9.2837 1.0709 1.0732 1.0790 1.0671 1.0847 1.0612 1.0673 1.0650 1.0800 1.0723 1.1049 1.0956 1.1110 1.1064 1.0948 1.1124 1.1055 1.0912 1.0931 1.0908 1.0902 1.0901 1.0951 1.0989 1.0958 1.0923 1.0977 1.0961 1.0977 1.0781 1.0794 0.0003 0.0003 0.0014 0.0017 0.0027 0.0044 0.0045 0.0079 0.0093 0.0099 0.0115 0.0190 0.0284 0.0579 0.0553 0.1030 0.0889 0.1083 0.1301 0.0966 0.2092 0.1629 0.1271 0.1816 0.1656 0.1933 0.4129 0.3486 0.1831 0.2974 0.1563 0.4525 0.2899 0.3234 0.6319 0.3832 0.4222 0.4213 0.3495 0.4454 0.7719 0.6828 1.1740 0.9128 1.1988 1.0656 1.0592 1.2140 1.7071 0.9922 1.2937 1.2613 1.2551 0.8847 1.1735 2.2520 2.0331 0.8751 1.5427 1.0620 1.2664 0.9023 1.1011 0.7673 1.5096 1.7973 3.0874 0.9446 0.8833 0.8068 0.6793 0.8177 2.7607 0.8711 1.2402 1.7620 1.3692 1.1386 1.2116 1.0859 1.3992 1.0791 0.9103 1.6353 1.9496 2.2167 2.3014 2.1278 1.0135 0.9688 1.7091 5.4343 1.6292 2.0512 1.1246 4.0889 2.6611 1.5030 2.4061 1.4732 1.5311 1.5631 2.0593 1.2203 1.4156 1.3721 1.6993 1.4179 1.8334 2.0990 2.0880 1.1588 2.3254 2.7834 1.5407 1.2230 1.6327 2.0587 1.8531 1.5057 1.8301 1.4241 2.4482 1.6750 3.0603 1.8568 1.7613 3.4964 4.0505 1.6151 1.6951 1.6553 2.6920 2.6867 1.8169 2.2784 2.1855 1.8168 2.0614 1.9827 2.1380 2.0108 4.4223 3.4886 3.2287 1.7244 1.7547 1.7364 1.7339 1.7676 1.7772 3.5853 6.1376 6.6525 3.1680 1.9699 10.4498 10.0677 9.6661 9.8507 13.4406 13.9795 11.8175 20.8418 6.4521 6.5231 6.6402 6.6003 6.7407 6.6563 6.7063 6.7146 6.8251 6.7995 7.0116 7.0632 7.2489 7.2510 7.1955 7.3165 7.3216 7.2650 7.3550 7.3559 7.3553 7.3641 7.4342 7.5084 7.4907 7.4703 7.5534 7.5921 7.6845 8.6462 9.6045 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6.7829 51.7509 18.2189 47.5380 101.5865 11.2863 53.8259 64.0368 4.1490 13.2820 1.5479 5.2027 1.6619 12.5171 7.7891 17.6657 6.8104 256.0877 307.3172 346.1934 0.0151 15.7102 10.1513 2.9379 2.1167 7.2207 0.5507 51.5339 190.6282 11.1485 15.2761 1.5059 12.5935 10.8413 125.8140 2.0092 4.0160 0.7832 19.9125 10.7907 2.0401 2.5609 4.0520 14.3936 51.8944 3.7374 7.8971 3.5424 1.0162 5.9158 6.3248 10.5853 7.3635 3.9820 3.8447 6.0039 39.0574 2.3742 29.8086 33.1834 1.0097 1.1918 2.6051 5.5025 5.4334 2.7728 1.2702 4.2014 4.0347 1.8658 1.5908 1.6476 2.0983 2.7990 1.9390 2.2587 1.6323 2.1873 0.2981 0.4562 1.5472 1.8272 1.1597 1.9521 0.1775 1.4569 0.9039 1.2048 0.1288 0.4291 1.6590 3.4690 1.0273 0.8193 0.1334 4.1860 0.7691 1.0371 2.1075 3.0100 1.4221 2.0545 5.0214 2.4191 2.5900 2.7929 1.4972 3.5264 5.1606 1.8606 4.1588 1.8985 3.6133 0.4710 0.2854 4.1288 3.6188 14.5179 2.8706 3.4977 4.4752 1.7026 4.3204 3.2505 14.0923 3.4008 20.5657 2.1428 1.2348 3.1886 2.0871 1.7868 8.5172 3.8414 1.1105 1.8968 1.2818 6.6759 5.4303 2.2167 4.0084 2.2805 1.2585 10.2014 4.6235 4.8669 23.7518 4.1398 0.1938 1.2049 10.0186 0.9353 28.2064 3.7222 1.0942 1.2559 7.8775 0.3188 3.4800 3.1209 3.6517 2.4786 1.6368 12.0341 0.6546 7.2564 7.8189 2.0735 30.1687 17.4490 3.5359 4.1710 2.9565 16.3201 5.6188 6.7459 0.9311 13.4684 21.4839 2.1224 5.6332 33.9268 12.9338 3.1201 23.7761 14.5729 3.7863 95.8436 10.9874 6.9515 0.3019 2.4664 18.7509 11.3306 1.3023 11.4641 10.9376 9.6638 0.9665 12.7351 6.9821 12.0383 20.4550 10.0060 1.0216 9.9723 9.3133 0.2122 3.5263 8.5940 11.2071 0.4834 55.9741 98.3250 1.6412 27.6336 24.8345 39.1367 8.2756 42.7438 12.3853 26.7097 18.9607 2.5960 49.7596 81.9333 57.2495 23.2235 10.3155 185.1908 26.1967 15.4116 32.7665 179.1426 43.4945 59.6456 18.0159 42.2144 66.1228 146.0043 70.6123 46.5337 53.0958 81.3860 38.9488 83.1492 62.8214 245.0679 118.0793 112.7490 166.5299 85.4929 70.8898 16.2637 29.9576 0.7495 0.7461 0.7469 0.7500 0.7358 0.7371 0.7355 0.7491 0.7375 0.7399 0.5851 0.6702 0.6675 0.5690 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12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 14.00307 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 9296.0680 48258.3775 54113.9321 1.00000 0.00184 0.00139 -0.00184 1.00000 0.00115 -0.00139 -0.00116 1.00000 1 0.00932 0.00179 0.00160 0.19414 0.03740 0.03335 12.14 15.73 31.46 34.04 42.81 55.18 68.48 73.87 83.44 99.25 109.70 116.96 139.37 188.42 205.77 240.67 250.92 298.71 327.66 331.30 350.33 354.65 382.31 397.14 420.51 493.56 506.63 515.93 534.97 559.27 580.80 624.31 649.48 655.82 667.68 681.24 688.09 696.96 724.39 745.43 785.18 819.19 857.28 902.29 913.23 923.69 933.78 953.20 976.38 982.08 998.77 1043.31 1057.00 1116.07 1119.49 1148.83 1153.77 1191.08 1195.74 1205.50 1212.60 1227.46 1230.97 1259.42 1289.99 1293.03 1298.34 1347.31 1360.14 1362.44 1380.82 1411.40 1421.62 1423.06 1425.55 1450.64 1462.02 1490.28 1510.88 1519.74 1529.25 1537.59 1547.83 1557.42 1566.08 1568.56 1570.97 1599.09 1599.52 1614.58 1624.39 1625.20 1636.47 1650.60 1653.06 1694.25 1708.50 1712.72 1734.32 1744.55 1753.87 1757.10 1791.25 1806.87 1813.61 1818.23 1824.49 1844.14 1857.36 1861.26 1868.92 1878.52 1901.16 1905.10 1916.30 1931.12 1966.79 1976.30 1983.90 1988.21 2026.99 2036.84 2057.47 2062.69 2088.71 2092.70 2107.89 2109.68 2126.82 2137.18 2141.17 2159.10 2188.36 2199.46 2200.89 2215.49 2221.03 2246.00 2266.60 2277.40 2281.40 2285.84 2318.16 2324.00 2336.53 2345.35 2348.80 2354.10 2363.09 2370.01 2389.41 2405.04 2410.24 2414.07 2433.23 2466.37 2480.90 2511.77 2569.69 2598.29 2612.34 2629.14 2682.89 2808.51 4600.98 4621.14 4649.99 4661.66 4672.60 4694.48 4698.47 4706.44 4712.12 4719.96 4721.96 4759.20 4787.91 4798.58 4805.34 4807.12 4823.89 4836.49 4862.09 4867.51 4868.66 4871.82 4883.82 4899.58 4900.86 4902.01 4916.88 4933.05 4959.40 5308.22 5591.24 0.606561 0.635121 0.636066 0.540502 -1557.820394 -1557.791833 -1557.790889 -1557.886452 3.205199D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE c1ccc(cc1)C[NH+]2CCC(CC2)NC(=O)C[C@@H](c3ccc4c(c3)OCO4)c5cnc6n5cccc6 C35417783 RHF 6-31G(d) (6D,10F) C1 483.239616 |X|Y|Z| 157.811508 64.870453 33.825407 70.222488 35 6 7 8 29 4 2 |36.858105| |13.754742|36.858105| |7.938573|13.746320|36.858105| |6.856122|7.916587|13.713858|36.858105| |7.944218|6.875851|7.934180|13.684796|36.858105| |13.733177|7.932053|6.869258|7.910782|13.771022|36.858105| |4.446110|5.023482|7.562416|12.648042|7.597969|5.035132|36.858105| |3.766970|4.099646|5.507351|7.593391|5.914748|4.262866|12.578144|53.358707| |3.955697|4.075519|5.164089|7.363760|6.680760|4.713058|9.322054|25.695511|0.500000| |2.940214|3.137441|3.954169|4.982343|4.275189|3.292548|7.633712|17.259489|0.258511|36.858105| |2.560883|2.682109|3.208353|3.817608|3.479780|2.836600|4.945650|10.365377|0.197566|12.501003|36.858105| |2.508372|2.681672|3.180418|3.571007|3.180008|2.683355|4.359431|8.815444|0.163819|7.565738|12.471520|36.858105| |2.985316|3.234099|3.870227|4.285762|3.738349|3.158796|4.938138|10.407996|0.199354|6.536810|7.617807|12.446552|36.858105| |3.622422|4.121308|5.418328|6.139826|4.755458|3.809268|7.562291|17.209865|0.259387|7.674563|6.511444|7.559291|12.518656|36.858105| |2.184702|2.291729|2.614446|2.872868|2.663008|2.325860|3.313132|6.068602|0.121303|5.024417|7.796742|13.197365|7.726903|5.006386|53.358707| |1.988151|2.102897|2.364046|2.512332|2.317806|2.071476|2.827224|4.874893|0.095986|3.882147|5.175731|7.840003|5.933569|4.174949|19.025929|36.858105| |2.021170|2.176395|2.456745|2.550059|2.304564|2.069732|2.857450|4.827430|0.092500|3.726037|4.579550|7.014720|5.944201|4.360247|11.622202|15.865123|73.516695| |1.746067|1.820584|2.004139|2.120672|2.001341|1.819569|2.337637|3.874980|0.078048|3.078127|3.955014|5.019578|4.141110|3.165057|10.559866|12.562816|14.207937|36.858105| |1.574127|1.650429|1.812599|1.897147|1.780589|1.626982|2.095798|3.365520|0.066684|2.702640|3.309243|3.996279|3.326952|2.715187|7.178301|7.545373|11.526741|12.346122|36.858105| |1.591201|1.684039|1.850774|1.912490|1.776530|1.628337|2.105468|3.354934|0.065733|2.651564|3.158999|3.918787|3.360700|2.770427|6.646773|7.261014|13.227870|9.026797|17.561525|0.500000| |1.422449|1.478415|1.600028|1.666262|1.584793|1.467080|1.809264|2.846551|0.057143|2.248821|2.678690|3.087074|2.700150|2.263282|5.290954|4.937227|7.866880|7.547796|12.461054|0.248943|36.858105| |1.339410|1.381051|1.489421|1.561566|1.499850|1.389989|1.694849|2.645511|0.053496|2.108807|2.503498|2.762889|2.409020|2.053161|4.651762|3.995207|6.255733|5.671959|7.482029|0.157049|13.787597|36.858105| |1.234809|1.267145|1.353651|1.412181|1.365937|1.277763|1.515092|2.332459|0.047422|1.834818|2.132033|2.317212|2.078693|1.801710|3.778651|3.150565|5.079804|4.160732|4.955610|0.116585|7.830122|13.587365|36.858105| |1.207248|1.240905|1.317916|1.362712|1.316726|1.240450|1.448720|2.217645|0.045070|1.717804|1.970570|2.168906|1.991376|1.732399|3.490356|2.950438|4.896596|3.804668|4.451267|0.112078|6.923386|8.075767|13.968888|36.858105| |1.266492|1.309584|1.392090|1.429925|1.372416|1.293749|1.517413|2.330749|0.047160|1.789822|2.051242|2.314066|2.145493|1.852167|3.735046|3.273335|5.561424|4.242248|5.062409|0.134676|8.034158|6.985463|7.944877|13.775240|36.858105| |1.375906|1.431848|1.535377|1.579385|1.502935|1.406096|1.690475|2.629046|0.052852|2.029366|2.358691|2.734228|2.496992|2.116520|4.521270|4.190126|7.128597|5.742059|7.559092|0.204911|13.532628|7.892682|6.750898|7.926364|13.964515|36.858105| |1.206059|1.246088|1.314123|1.339477|1.288418|1.224640|1.407261|2.138903|0.043340|1.621931|1.828225|2.052216|1.946237|1.703051|3.231176|2.778356|4.836003|3.396130|3.836071|0.106739|5.184393|4.687872|5.406961|8.542984|14.079010|7.775041|73.516695| |1.118889|1.150090|1.208468|1.234686|1.194844|1.138795|1.294589|1.953199|0.039710|1.485034|1.663686|1.830528|1.733993|1.534822|2.851665|2.382251|4.104867|2.865793|3.189835|0.086583|4.204349|4.219716|5.356490|8.590858|8.589571|5.357492|23.995319|36.858105| |1.124769|1.152421|1.215215|1.251404|1.214700|1.152459|1.319642|1.999105|0.040741|1.535629|1.735964|1.890185|1.763967|1.555516|2.976446|2.462210|4.146472|3.030099|3.394568|0.088391|4.660499|5.195352|7.757698|14.070849|8.543537|5.402115|14.914339|13.518661|73.516695| |1.550406|1.627431|1.803910|1.906151|1.782485|1.612389|2.147474|3.430218|0.067182|2.864807|3.515033|4.036152|3.192853|2.686708|6.875839|6.264639|9.700051|7.593580|12.662138|0.251393|7.478256|6.370328|4.365201|3.728359|3.915571|5.066132|5.520848|2.725032|5.247976|36.858105| |1.597182|1.667494|1.861380|2.001256|1.879701|1.681391|2.291892|3.691639|0.072434|3.209101|4.059011|4.361790|3.290265|2.792044|7.326270|5.743809|8.483505|6.267851|7.248447|0.158882|5.259319|5.121053|3.754989|3.159331|3.188867|3.852801|4.646576|2.364699|4.598511|14.011923|36.858105| |1.517451|1.587724|1.774352|1.904012|1.783449|1.594844|2.193724|3.439224|0.066784|3.024348|3.618443|3.696229|2.868207|2.549672|5.627114|4.258052|6.811941|4.373558|5.094203|0.123766|4.109021|4.137377|3.248595|2.769415|2.759028|3.210669|4.125030|2.139320|4.142466|8.431584|14.050074|53.358707| |1.436378|1.511545|1.680177|1.774837|1.654059|1.492980|2.021357|3.117813|0.060236|2.662134|3.075368|3.257639|2.626429|2.359844|4.891793|3.920970|6.619503|4.081161|5.204856|0.133327|4.291836|4.209361|3.333832|2.889243|2.914064|3.408772|4.356657|2.247913|4.312922|8.605996|9.033550|19.881661|36.858105| |1.448125|1.527074|1.689393|1.768709|1.646652|1.495882|1.990256|3.096608|0.060065|2.577065|3.010979|3.360111|2.747302|2.410397|5.252823|4.560150|7.798703|5.012141|7.508798|0.194284|5.821048|5.246577|3.933806|3.440729|3.587736|4.428828|5.205524|2.609437|4.972629|13.778123|8.817880|11.697976|13.866136|53.358707| |1.362598|1.441327|1.581846|1.633354|1.519212|1.393986|1.813153|2.772907|0.053782|2.250171|2.549661|2.861745|2.446803|2.182173|4.356347|3.818620|6.906122|4.170780|6.131339|0.181210|5.424859|4.742916|3.809057|3.508474|3.760116|4.580757|5.557426|2.763997|5.139794|7.600591|5.416804|7.382011|7.916275|18.878711|36.858105| |1.282571|1.357936|1.486932|1.529394|1.422249|1.308558|1.695375|2.545776|0.049230|2.063735|2.277962|2.491640|2.162817|1.980393|3.660837|3.075073|5.614325|3.240555|4.289748|0.125421|3.984279|3.710717|3.184954|2.971820|3.107312|3.556277|4.793294|2.456425|4.537900|5.177642|4.281665|6.387707|6.877364|11.052093|14.203378|36.858105| |1.272114|1.344689|1.478266|1.530890|1.424564|1.304269|1.712170|2.552274|0.049209|2.103209|2.299358|2.439783|2.094530|1.946812|3.514048|2.836733|5.091871|2.920982|3.654858|0.102581|3.344908|3.257255|2.820422|2.576219|2.618452|2.934714|4.078458|2.134827|3.995359|4.647816|4.283912|7.121527|7.965326|9.473153|7.922130|13.275807|36.858105| |1.338183|1.410613|1.561207|1.636279|1.524195|1.383552|1.852996|2.787884|0.053703|2.352113|2.607379|2.714027|2.265747|2.096618|3.917391|3.089789|5.397236|3.156599|3.874267|0.104375|3.422262|3.398201|2.866017|2.547329|2.556376|2.889462|3.932443|2.061337|3.914699|5.351920|5.415191|10.480128|13.350261|10.773474|6.828627|7.885192|14.144261|36.858105| |17.732595|8.921437|5.647732|4.944420|5.651114|8.915554|3.554817|4.252594|0.091125|2.529799|2.256695|2.227554|2.617040|3.059066|2.694526|1.822549|3.292866|1.621413|1.468506|0.041249|1.339168|1.263977|1.172724|1.151020|1.206498|1.302956|2.053610|1.074823|1.916147|1.440437|1.476788|1.911528|1.335313|1.836759|1.276785|1.204597|1.192358|1.248624|0.500000| |8.913489|17.734344|8.926142|5.639929|4.954870|5.642789|4.095315|4.726726|0.094540|2.760976|2.408465|2.452928|2.929521|3.626022|2.893978|1.986766|3.693647|1.731205|1.583226|0.045166|1.425087|1.327902|1.223129|1.204199|1.274810|1.390546|2.168251|1.125281|1.994790|1.554881|1.579190|2.051568|1.447529|1.998703|1.397948|1.321599|1.304127|1.358252|0.214946|0.500000| |5.650163|8.931835|17.701259|8.889973|5.636636|4.948940|6.984011|7.163963|0.129100|3.930441|3.185894|3.239451|3.902225|5.566000|3.593840|2.424572|4.567196|2.038264|1.862536|0.053338|1.634233|1.511894|1.370250|1.336579|1.418266|1.571099|2.380273|1.227041|2.187125|1.858142|1.904707|2.482683|1.741083|2.386579|1.649776|1.555015|1.544164|1.624270|0.124294|0.215952|0.500000| |5.651978|4.950581|5.633841|8.868208|17.673037|8.945736|7.030131|8.072428|0.198485|4.545301|3.705247|3.232785|3.662211|4.445447|3.711568|2.334476|4.054037|2.030304|1.800118|0.049395|1.604025|1.530024|1.391946|1.333158|1.380545|1.509295|2.294154|1.200960|2.183558|1.815362|1.938329|2.505023|1.689288|2.272841|1.528690|1.429944|1.439691|1.551604|0.124353|0.107509|0.123738|0.500000| |8.905605|5.643447|4.951409|5.635500|8.929973|17.733763|4.105979|4.968982|0.113959|2.953467|2.614236|2.454440|2.830571|3.262453|2.959705|1.939753|3.412241|1.729177|1.546597|0.042760|1.406874|1.341812|1.239971|1.203211|1.248918|1.349102|2.105441|1.106466|1.994502|1.531463|1.599980|2.065998|1.418678|1.932603|1.323442|1.243441|1.240387|1.315953|0.214841|0.124084|0.107479|0.216253|0.500000| |3.989361|4.247822|5.736679|8.875606|7.040945|4.703382|17.623599|12.410045|0.218797|7.458203|4.774117|3.937609|4.161781|5.592393|4.201034|2.622639|4.630033|2.212631|1.998813|0.055228|1.738018|1.647378|1.476544|1.403677|1.457658|1.614275|2.399737|1.249976|2.277234|2.075251|2.247538|2.964204|1.989245|2.629057|1.751543|1.647611|1.681360|1.832604|0.090787|0.097970|0.146101|0.207513|0.111329|0.500000| |3.964637|4.726963|7.177387|8.815768|5.603175|4.181812|17.632546|12.380395|0.182309|6.840683|4.558601|4.216692|4.649272|7.138380|4.353982|2.802899|5.158143|2.305792|2.103506|0.059363|1.807104|1.683690|1.502978|1.440595|1.514833|1.692692|2.500205|1.290966|2.331723|2.168984|2.296991|3.026621|2.072645|2.773134|1.867898|1.757506|1.778238|1.916413|0.090293|0.112398|0.217830|0.141725|0.096325|0.301803|0.500000| |2.886292|3.002671|3.710948|4.805297|4.355864|3.316320|7.184182|12.370067|0.223754|17.628896|8.797831|5.499319|4.904767|5.606268|5.639757|3.287796|5.546332|2.731469|2.431611|0.065650|2.067040|1.971951|1.732847|1.616595|1.666659|1.866136|2.693881|1.400633|2.585624|2.599159|2.946401|3.858950|2.481456|3.218570|2.071239|1.921399|1.980230|2.222209|0.069202|0.072984|0.099961|0.135814|0.083982|0.234759|0.170762|0.500000| |2.766739|3.031060|3.855086|4.594447|3.792953|3.001794|7.061805|12.432869|0.181881|17.607449|8.788746|6.799693|5.756543|7.013940|6.275133|3.777277|6.697218|2.984372|2.704684|0.074864|2.234302|2.082669|1.809208|1.697893|1.775960|2.020438|2.864054|1.472542|2.697555|2.914187|3.237703|4.262441|2.797390|3.652287|2.353987|2.178887|2.236470|2.501003|0.066545|0.075468|0.111513|0.108034|0.074422|0.187423|0.207653|0.301539|0.500000| |2.597305|2.647254|3.094220|3.736817|3.588767|2.939692|4.577019|9.281513|0.207051|8.865276|17.499739|8.811186|6.813296|5.674957|9.656439|4.714030|7.197469|3.813902|3.114105|0.081300|2.593178|2.459120|2.116110|1.953430|2.017246|2.292471|3.204885|1.650145|3.073689|3.229219|3.711917|4.453397|2.783112|3.735339|2.343007|2.094485|2.105373|2.371589|0.063841|0.065572|0.082999|0.109329|0.076561|0.125429|0.112065|0.215264|0.173155|0.500000| |2.263120|2.362971|2.782554|3.241307|2.989649|2.487242|4.129087|7.583956|0.144490|8.974260|17.568598|8.809348|5.521403|4.892184|9.547404|4.968390|7.692435|3.979269|3.451758|0.089856|2.779425|2.639124|2.225638|2.026181|2.086090|2.397169|3.276373|1.686210|3.156986|3.869956|4.755913|5.890103|3.515213|4.520715|2.737996|2.451711|2.521297|2.936371|0.056076|0.059680|0.077493|0.088746|0.064452|0.115215|0.109516|0.212817|0.215030|0.302520|0.500000| |2.383910|2.598111|3.104409|3.389317|2.942774|2.502630|4.196911|7.839485|0.137053|6.895158|8.907167|17.570601|8.934037|6.924390|12.642668|7.488334|13.793612|4.790396|4.112187|0.116075|3.108415|2.747491|2.295212|2.155504|2.315703|2.758580|3.652597|1.826103|3.335119|4.288326|4.543050|5.396646|3.573949|5.009567|3.138334|2.738633|2.684890|2.985280|0.058982|0.066910|0.090599|0.081846|0.063245|0.104945|0.119536|0.140540|0.202855|0.173819|0.215204|0.500000| |3.077898|3.215603|3.720932|4.205577|3.895676|3.329906|4.574993|9.331108|0.209688|5.714340|6.833018|8.822831|17.515702|8.843241|9.592835|5.306217|8.837093|3.991271|3.130212|0.085983|2.613966|2.364680|2.061095|1.974888|2.112210|2.426830|3.418155|1.722848|3.125724|2.961762|3.071137|3.623099|2.421515|3.443944|2.258283|1.999256|1.936804|2.093438|0.075327|0.080093|0.099987|0.107892|0.084214|0.110140|0.113989|0.128320|0.132617|0.200161|0.139552|0.174309|0.500000| |2.806320|3.079106|3.586973|3.742159|3.270572|2.874352|4.108282|7.591400|0.145403|4.903056|5.538023|8.858927|17.609515|8.959458|9.517406|6.355404|12.619109|4.349527|3.502667|0.101498|2.831799|2.466911|2.131190|2.071300|2.272557|2.673941|3.683716|1.822433|3.258184|3.237194|3.198080|3.773452|2.604497|3.805779|2.538193|2.226891|2.117555|2.253215|0.069457|0.079608|0.102922|0.087261|0.071842|0.096855|0.111940|0.107968|0.129092|0.139690|0.123725|0.217065|0.302733|0.500000| |3.309924|3.886601|5.167683|5.447740|4.112197|3.375137|6.994291|12.427499|0.182267|7.039765|5.771474|6.827970|8.787990|17.599238|6.275374|4.057947|7.900218|3.069981|2.722362|0.078504|2.251901|2.031519|1.779365|1.713911|1.839208|2.109620|3.008942|1.522666|2.734421|2.731749|2.814695|3.560260|2.455272|3.403027|2.279592|2.083849|2.052976|2.201981|0.078574|0.097963|0.161396|0.106171|0.080594|0.146224|0.218230|0.144161|0.212587|0.132488|0.129593|0.205025|0.172830|0.213748|0.500000| |4.323912|5.073377|6.723014|7.067831|5.348731|4.403172|7.109645|12.367086|0.224751|5.612844|4.886346|5.490541|8.780428|17.667023|5.609941|3.590954|6.712517|2.832438|2.445432|0.069639|2.084641|1.895558|1.685496|1.636189|1.752391|1.982150|2.897437|1.471927|2.635140|2.381780|2.441148|3.048190|2.097898|2.934005|1.983236|1.811049|1.771613|1.885851|0.099542|0.121962|0.185645|0.130264|0.101746|0.143621|0.181851|0.126694|0.144092|0.127337|0.107722|0.141070|0.213398|0.211753|0.301126|0.500000| |2.087403|2.154193|2.431503|2.705227|2.569925|2.250237|3.099968|5.570661|0.115131|4.724728|7.521555|9.016449|6.024700|4.278089|26.081915|9.350256|10.905221|7.388564|5.037092|0.122630|3.881335|3.562045|2.888097|2.613070|2.729752|3.242908|4.169780|2.098400|3.956325|4.973942|5.666062|5.806350|3.573319|5.103243|3.065233|2.591313|2.518540|2.844621|0.052788|0.055335|0.067314|0.074456|0.059199|0.082323|0.081858|0.113763|0.117203|0.214086|0.202305|0.187033|0.168347|0.147845|0.108341|0.100520|0.500000| |1.729926|1.798287|1.955441|2.047265|1.944191|1.790626|2.210119|3.622647|0.073750|2.780408|3.453967|4.347529|3.907392|3.000825|8.424982|9.049745|12.443854|17.574642|8.860985|0.215043|7.172167|5.277221|4.134133|3.990772|4.648368|6.332151|6.700288|3.094263|5.692985|5.548208|4.649863|4.794219|3.381463|5.589225|3.662673|2.914143|2.598722|2.735492|0.044906|0.047751|0.055078|0.054426|0.047409|0.057769|0.060364|0.068958|0.074521|0.094550|0.093828|0.114011|0.107391|0.117851|0.080144|0.076531|0.162584|0.500000| |1.719561|1.772694|1.946062|2.086695|1.997484|1.812382|2.302427|3.822166|0.078275|3.082005|4.049181|4.785375|3.893077|3.012970|10.158495|8.776347|10.376993|17.570157|8.747366|0.174915|6.708799|5.896221|4.317311|3.767912|3.954832|4.966884|5.640421|2.769896|5.359399|6.901156|6.589740|6.109309|3.973877|6.266998|3.745485|2.994133|2.779085|3.067316|0.044384|0.046542|0.054400|0.057001|0.048215|0.061365|0.062295|0.077402|0.081386|0.112533|0.115462|0.121679|0.107985|0.108382|0.079874|0.074972|0.236079|0.303564|0.500000| |1.356858|1.396432|1.513293|1.600086|1.538992|1.417188|1.752232|2.743379|0.055473|2.225370|2.670387|2.881185|2.453608|2.097362|4.859390|4.018270|6.146918|5.521269|6.936827|0.142371|8.951646|17.735333|8.922035|5.721441|5.011635|5.625081|6.593900|3.446572|7.413986|7.097602|6.245180|6.736211|4.803198|7.715051|4.707785|3.743670|3.433715|3.742682|0.035458|0.037127|0.042585|0.043894|0.038030|0.047655|0.048246|0.058158|0.060930|0.072891|0.079852|0.079351|0.066869|0.068541|0.057582|0.053340|0.106171|0.133606|0.171243|0.500000| |1.181515|1.207291|1.286858|1.346454|1.309251|1.226235|1.443214|2.208162|0.045037|1.742137|2.011731|2.142035|1.923720|1.685213|3.442274|2.783486|4.485825|3.539138|4.044197|0.096450|5.590961|8.796324|17.747487|8.940688|5.642567|4.890605|7.767718|4.647965|12.164379|3.800825|3.452073|4.189831|3.115100|4.771372|3.360825|2.917306|2.664237|2.731224|0.031220|0.032337|0.036074|0.037205|0.033182|0.039320|0.039676|0.046147|0.047615|0.055813|0.058659|0.058722|0.053248|0.054222|0.046150|0.043872|0.073963|0.096472|0.104769|0.213695|0.500000| |1.425043|1.492225|1.599934|1.632173|1.542990|1.446405|1.740606|2.705797|0.054127|2.063720|2.377581|2.816045|2.620307|2.217343|4.590538|4.371640|7.851979|5.608335|6.983042|0.222570|8.764282|5.608323|4.888680|5.640790|8.962916|17.719663|12.250442|4.663636|7.778555|4.672888|3.577427|4.102507|3.215964|5.663128|4.409949|3.460107|2.834254|2.761087|0.037481|0.040420|0.045710|0.042736|0.038379|0.045785|0.048642|0.052269|0.057355|0.063697|0.066230|0.079694|0.070080|0.079696|0.061735|0.057938|0.088803|0.179429|0.127463|0.123415|0.106470|0.500000| |1.070416|1.102685|1.158358|1.180006|1.139373|1.086688|1.237914|1.855402|0.037572|1.412250|1.568818|1.718871|1.627764|1.455327|2.642995|2.198966|3.834786|2.588423|2.925740|0.080646|3.736454|3.748175|4.617293|6.632663|6.632713|4.618633|16.554637|17.608938|16.559178|2.566262|2.231147|2.797585|2.188599|3.438326|2.737027|2.484700|2.149281|2.043385|0.028587|0.030045|0.032763|0.031766|0.029306|0.033241|0.034430|0.037068|0.039120|0.042998|0.044297|0.048018|0.044663|0.047483|0.040347|0.038788|0.053788|0.076250|0.069178|0.087220|0.115034|0.115393|0.500000| |1.099933|1.126506|1.177450|1.201336|1.167854|1.118555|1.251417|1.883017|0.038459|1.421450|1.585952|1.738418|1.665661|1.478175|2.693829|2.223223|3.828553|2.638152|2.831975|0.076939|3.585755|3.596013|4.425689|6.335659|6.336564|4.428462|16.578153|17.671063|16.584638|2.432109|2.149853|2.650601|2.021210|3.144333|2.412990|2.165050|1.910960|1.858757|0.029447|0.030648|0.033105|0.032590|0.030276|0.033560|0.034556|0.037334|0.038990|0.043977|0.044383|0.047850|0.046314|0.048607|0.040546|0.039624|0.055175|0.080012|0.071398|0.084028|0.111103|0.111536|0.297180|0.500000| |1.675122|1.735315|1.939135|2.113646|2.003804|1.782080|2.427110|3.984879|0.079385|3.510042|4.680618|4.847827|3.560809|2.961851|8.573802|6.040849|8.330212|6.518658|6.258127|0.137185|4.757717|4.742293|3.570961|3.007262|3.008945|3.571805|4.427539|2.267610|4.424233|8.738110|17.788172|12.293859|6.100896|8.081636|4.193378|3.453122|3.467816|4.239808|0.042907|0.045306|0.054559|0.057969|0.047256|0.066459|0.066463|0.089963|0.095224|0.122146|0.155666|0.131936|0.094285|0.093599|0.080998|0.071541|0.204058|0.133401|0.214713|0.160981|0.092537|0.092316|0.058860|0.058038|0.500000| |1.361436|1.439919|1.571574|1.612951|1.502708|1.386936|1.772090|2.715822|0.052939|2.165196|2.456554|2.811845|2.455519|2.167530|4.341722|3.934485|7.237865|4.434408|6.809833|0.219766|6.383730|5.106471|4.128411|3.969331|4.491814|5.731081|6.547507|3.142192|5.719974|6.902070|4.755918|6.028049|5.696645|12.428413|17.800040|8.942773|5.596703|4.937505|0.035536|0.038921|0.045501|0.041830|0.036592|0.047231|0.050562|0.055119|0.062402|0.063276|0.071843|0.084736|0.063257|0.071983|0.062568|0.055187|0.084099|0.111916|0.107050|0.130981|0.097652|0.156632|0.086280|0.075097|0.107257|0.500000| |1.224074|1.296829|1.411348|1.440573|1.341146|1.242118|1.582023|2.353880|0.045611|1.880919|2.050261|2.244762|1.992232|1.838708|3.270473|2.742903|5.077061|2.884652|3.716470|0.111036|3.589852|3.332094|2.974585|2.865567|3.025777|3.378998|4.794754|2.466890|4.470381|4.157797|3.486622|5.054132|4.957571|7.810619|9.114067|17.759197|8.722699|5.633090|0.032061|0.035242|0.041057|0.037306|0.032816|0.042616|0.045623|0.048766|0.055081|0.052712|0.060483|0.068144|0.051359|0.057401|0.053771|0.047183|0.064125|0.074030|0.073842|0.090902|0.075840|0.092750|0.070577|0.060304|0.081118|0.214692|0.500000| |1.207844|1.276419|1.397943|1.442054|1.343832|1.235150|1.605137|2.361325|0.045551|1.932233|2.075707|2.177638|1.899915|1.791398|3.089122|2.458110|4.436893|2.509356|3.037374|0.085701|2.841817|2.794503|2.495275|2.310557|2.336714|2.562007|3.714369|1.968283|3.659466|3.683082|3.483133|5.687880|5.641558|6.803944|5.663050|8.776444|17.733823|9.049374|0.031532|0.034492|0.040595|0.037678|0.032673|0.043932|0.046429|0.050947|0.057182|0.053056|0.062817|0.066243|0.048984|0.053286|0.052560|0.045610|0.061606|0.063069|0.066753|0.081154|0.066355|0.069174|0.055551|0.049266|0.081427|0.123481|0.211610|0.500000| |1.318323|1.386259|1.535332|1.616507|1.509746|1.367711|1.837493|2.737189|0.052730|2.329099|2.544058|2.571793|2.154053|2.023216|3.640872|2.783806|4.832657|2.803744|3.284218|0.087883|2.938019|2.969523|2.559529|2.277368|2.261981|2.513405|3.524198|1.868781|3.553967|4.365298|4.728085|9.370574|8.857698|7.703650|4.933131|5.586004|8.948582|17.760740|0.034157|0.037004|0.044274|0.042872|0.036198|0.050993|0.052784|0.062016|0.068964|0.064432|0.080392|0.078021|0.055520|0.058795|0.058971|0.050587|0.074194|0.068043|0.077065|0.091568|0.068998|0.066841|0.051463|0.047266|0.108522|0.107351|0.123110|0.214044|0.500000| 1556.732862 -10782.255232 4296.390412 -213.049518 -5142.181476 3583.754439 -1558.427037 2.001088 40FB6BFFFFFFFFB9 45353BBAF35A032F 44B526945EFB0827 431014AFA41670FA B801F78745915840 45986236B845F7D4