Version2.0
2020-01-09T07:10:11Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
15-Oct-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE C=CCOC[C@@H](CNc1ccc(cc1)n2c(nc(n2)OCc3ccc(cc3)F)c4cccc(c4)F)O C35742978
RHF
6-31G(d)
(6D,7F)
C=CCOC[C@@H](CNc1ccc(cc1)n2c(nc(n2)OCc3ccc(cc3)F)c4cccc(c4)F)O
C01[X(C27H26F2N4O3)]
180
C1
592
C=CCOC[C@@H](CNc1ccc(cc1)n1nc(nc1c1cccc(c1)F)OCc1ccc(cc1)F)O
C=CCOC[C@@H](CNc1ccc(cc1)n1nc(nc1c1cccc(c1)F)OCc1ccc(cc1)F)O
O[C@H](CNc1ccc(cc1)n2nc(OCc3ccc(F)cc3)nc2c4cccc(F)c4)COCC=C
InChIKey=VIDUXIWSRKCRGM-RUZDIDTESA-N
InChI=1S/C27H26F2N4O3/c1-2-14-35-18-25(34)16-30-23-10-12-24(13-11-23)33-26(20-4-3-5-22(29)15-20)31-27(32-33)36-17-19-6-8-21(28)9-7-19/h2-13,15,25,30,34H,1,14,16-18H2/t25-/m1/s1
InChI=1/C27H26F2N4O3/c1-2-14-35-18-25(34)16-30-23-10-12-24(13-11-23)33-26(20-4-3-5-22(29)15-20)31-27(32-33)36-17-19-6-8-21(28)9-7-19/h2-13,15,25,30,34H,1,14,16-18H2/t25-/m1/s1
C=CCOC[C@@H](CNc1ccc(cc1)n2c(nc(n2)OCc3ccc(cc3)F)c4cccc(c4)F)O
C01[X(C27H26F2N4O3)]
180
C01
592
C=CCOC[C@@H](CNc1ccc(cc1)n1nc(nc1c1cccc(c1)F)OCc1ccc(cc1)F)O
C=CCOC[C@@H](CNc1ccc(cc1)N1N[C@H](N[C@H]1c1cccc(c1)F)OCc1ccc(cc1)F)O
O[C@H](CNc1ccc(cc1)N2N[C@H](N[C@H]2c3cccc(F)c3)OCc4ccc(F)cc4)COCC=C
InChIKey=CCFKEHBJQDTUEJ-PFBJBMPXSA-N
InChI=1S/C27H30F2N4O3/c1-2-14-35-18-25(34)16-30-23-10-12-24(13-11-23)33-26(20-4-3-5-22(29)15-20)31-27(32-33)36-17-19-6-8-21(28)9-7-19/h2-13,15,25-27,30-32,34H,1,14,16-18H2/t25-,26-,27+/m1/s1
InChI=1/C27H30F2N4O3/c1-2-14-35-18-25(34)16-30-23-10-12-24(13-11-23)33-26(20-4-3-5-22(29)15-20)31-27(32-33)36-17-19-6-8-21(28)9-7-19/h2-13,15,25-27,30-32,34H,1,14,16-18H2/t25-,26-,27+/m1/s1
3388.9286683407
-1678.7827443
1-A
38914.0847
129
463
592
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10.48011
-6.4480 2.8213 2.9920
7.6478
|XX|YY|ZZ|XY|XZ|YZ|
-182.4190 -208.5839 -200.3843 28.3831 -8.5533 5.5994
|XX|YY|ZZ|XY|XZ|YZ|
14.7100 -11.4549 -3.2552 28.3831 -8.5533 5.5994
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-637.1653 40.8849 -19.4476 -45.8454 84.0801 56.1136 -32.4104 -8.8165 58.3165 10.0394
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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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180
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8.7402 12.4769 15.5507 21.8516 27.4903 29.8336 33.4074 37.5535 49.6338 55.5577 62.2615 70.6362 88.5452 103.3943 107.0086 118.0455 133.5163 146.7430 150.5345 166.2630 184.0524 190.4751 214.2678 253.7579 269.4435 272.2516 286.5903 318.9637 325.0056 337.8643 354.9703 380.1919 408.5745 440.9679 450.9199 455.0896 462.0145 465.5251 467.5646 474.3585 480.0140 496.0473 513.8757 532.1129 553.3312 558.1528 567.3933 578.7764 591.0803 610.9109 638.6956 653.8194 694.3154 702.3390 712.1354 716.0575 736.2471 748.3515 760.7292 774.2741 807.2528 808.2616 820.8121 870.5061 887.3950 902.9135 912.3146 919.2535 926.0068 934.5001 940.0511 943.8621 972.7960 985.8499 1010.7969 1018.5470 1032.9860 1035.8513 1062.5761 1070.6468 1072.4785 1089.6521 1091.0345 1093.2984 1096.3366 1098.6846 1113.1201 1114.1234 1116.6642 1122.6248 1129.6437 1141.9949 1143.9952 1174.9700 1177.9318 1184.6502 1195.6695 1207.7916 1217.2295 1223.6780 1232.2338 1253.0505 1265.7071 1281.8933 1284.4455 1289.5334 1292.8341 1295.4712 1299.2406 1307.3032 1323.4753 1334.9070 1342.8365 1385.8821 1388.8140 1390.3997 1397.8713 1402.4543 1422.2713 1431.6055 1433.4057 1439.0323 1446.4615 1452.2240 1457.2519 1464.6106 1523.1786 1525.7294 1545.6792 1546.2831 1568.3574 1580.5760 1582.7336 1594.4064 1607.0826 1622.9932 1628.3940 1657.3936 1659.8470 1663.0426 1669.8686 1675.9739 1683.3407 1701.5298 1707.5558 1717.2514 1784.0713 1787.7666 1795.9238 1803.8933 1821.3545 1825.0205 1826.3742 1885.7783 3165.6975 3168.9618 3183.6186 3205.1896 3216.0841 3224.5760 3235.4478 3248.7450 3285.8605 3330.0034 3352.5031 3360.3572 3363.1470 3378.5079 3380.2484 3391.7239 3396.8069 3399.2165 3402.7823 3404.6767 3409.1222 3412.2139 3413.6784 3423.0637 3835.6129 4092.7871
6.5212 3.7675 7.4012 3.5990 5.3056 4.8611 5.3102 7.1843 4.6257 2.9211 5.6137 3.7527 4.2044 4.9503 4.4328 6.1023 5.2617 6.2341 3.7595 4.6611 3.6311 3.2869 4.8554 3.8814 6.2390 4.9547 8.4573 3.7652 5.5272 5.6073 5.5595 5.1335 5.6838 4.6998 2.6803 1.3954 3.2422 3.0805 3.8267 3.0709 3.6944 2.9824 3.7935 4.6415 3.6578 3.1185 7.2442 3.3325 2.8424 3.0731 4.7678 1.8258 6.0213 6.3642 4.6735 1.9706 6.5213 3.1964 2.7942 3.4003 3.9566 6.2418 5.3176 6.5840 5.5230 1.6510 2.5717 1.5324 2.4165 1.4423 1.7364 1.9846 6.3010 2.7089 1.4565 1.4888 1.3920 1.5242 1.3305 1.7972 1.4265 1.3873 1.3468 5.0780 4.3171 1.3540 1.3322 2.5976 2.1755 2.7366 2.1574 3.1777 1.4691 3.1141 2.9463 1.7864 1.8986 2.4201 2.4379 2.9437 2.7020 2.7919 3.4320 1.3407 2.1517 2.1595 3.5914 2.3762 2.4284 1.4030 2.2220 2.8903 1.1771 4.1806 1.1165 3.2611 1.0915 1.1227 1.8645 1.3972 1.2936 1.9339 1.3020 2.4931 1.3316 1.4990 1.4312 4.0597 1.3572 1.8962 1.6307 1.7294 2.4435 3.3306 1.4144 2.6529 1.9036 1.1140 1.8587 1.1114 1.5040 1.0946 1.9030 2.7888 2.5133 5.7494 4.7442 6.7860 6.5939 7.5300 5.6939 6.0290 5.7561 4.3439 1.0649 1.0647 1.0601 1.0915 1.1010 1.0992 1.0611 1.0966 1.1057 1.0609 1.0954 1.0909 1.0906 1.0899 1.0909 1.0907 1.0954 1.0953 1.0952 1.0940 1.0958 1.1160 1.0954 1.0937 1.0763 1.0662
0.0003 0.0003 0.0011 0.0010 0.0024 0.0025 0.0035 0.0060 0.0067 0.0053 0.0128 0.0110 0.0194 0.0312 0.0299 0.0501 0.0553 0.0791 0.0502 0.0759 0.0725 0.0703 0.1313 0.1473 0.2669 0.2164 0.4093 0.2257 0.3440 0.3771 0.4127 0.4372 0.5590 0.5385 0.3211 0.1703 0.4078 0.3933 0.4929 0.4071 0.5015 0.4324 0.5902 0.7743 0.6598 0.5724 1.3741 0.6577 0.5851 0.6758 1.1459 0.4598 1.7102 1.8497 1.3964 0.5953 2.0827 1.0547 0.9527 1.2010 1.5191 2.4025 2.1108 2.9396 2.5625 0.7930 1.2611 0.7629 1.2209 0.7421 0.9041 1.0417 3.5132 1.5512 0.8767 0.9100 0.8751 0.9636 0.8851 1.2138 0.9667 0.9705 0.9446 3.5762 3.0573 0.9629 0.9726 1.8998 1.5983 2.0320 1.6221 2.4417 1.1328 2.5330 2.4087 1.4771 1.5992 2.0800 2.1282 2.5970 2.4172 2.5828 3.2394 1.2980 2.0915 2.1158 3.5367 2.3496 2.4152 1.4128 2.2931 3.0346 1.2506 4.7309 1.2688 3.7145 1.2566 1.3011 2.2222 1.6872 1.5660 2.3596 1.6051 3.0978 1.6661 1.8945 1.9564 5.5679 1.9104 2.6712 2.3633 2.5454 3.6064 4.9885 2.1523 4.1172 2.9741 1.8030 3.0171 1.8111 2.4709 1.8115 3.1772 4.7571 4.3177 9.9894 8.8970 12.7788 12.5304 14.4367 11.1289 11.8312 11.3125 9.1014 6.2880 6.2993 6.3304 6.6069 6.7092 6.7337 6.5443 6.8191 7.0339 6.9310 7.2538 7.2575 7.2677 7.3299 7.3440 7.3927 7.4466 7.4566 7.4713 7.4716 7.5035 7.6560 7.5211 7.5504 9.3293 10.5223
0.1986 0.1453 0.1313 0.2895 0.5690 0.5355 0.4173 0.2357 2.1884 0.9236 0.4965 2.5029 0.7010 1.0467 1.0792 0.3333 0.5884 0.2822 2.3126 6.5442 1.0815 1.3755 1.1762 1.9692 0.1026 0.5467 0.5079 3.3023 6.0505 0.9716 0.7570 4.5871 5.0795 8.8397 18.0942 104.1345 5.4435 1.8811 4.3272 5.0386 14.5247 22.9716 1.1560 2.9309 50.0261 31.1192 3.3512 14.7743 5.5540 9.3229 5.8989 183.0520 3.2194 2.9155 1.8946 5.3010 6.6544 13.9927 5.9675 0.8936 4.3392 4.7750 10.9649 48.4520 12.0017 25.2047 3.0839 6.5107 39.4482 4.1576 49.1621 92.7829 21.0192 27.0398 33.4069 2.1723 0.5021 7.3058 1.1288 3.1091 0.8019 0.5756 59.0235 3.8294 14.2354 0.1187 0.3602 10.8737 36.6442 16.6558 8.0237 34.2804 19.4068 71.7906 21.9247 9.9312 18.9365 40.1080 23.8177 21.5364 33.0737 17.3645 12.1552 84.9625 62.5420 88.3091 282.2309 32.0437 70.0828 4.1861 20.9113 26.6804 42.0159 143.1308 9.3329 47.1917 6.3030 6.0303 95.4679 105.6134 13.6117 17.5078 4.4940 47.3058 64.2772 42.3270 125.1198 81.1949 25.2527 281.9844 10.7219 5.3555 299.1311 57.2924 35.1500 149.8747 59.0355 26.4642 16.1813 11.5313 13.2449 1.9596 4.8016 111.8815 305.9854 129.9434 124.2796 605.2382 23.1960 339.7920 26.7571 3.4694 33.8856 0.7863 38.5286 16.5721 76.7066 9.6250 25.3990 77.9946 24.1605 75.8945 26.5056 16.9237 6.8500 14.5800 19.3659 11.2660 14.1495 6.5205 7.3817 9.2550 7.2718 12.7907 4.0700 21.6718 4.1208 0.4409 63.7562 113.7604
0.5862 7.4923 1.6071 2.2376 3.0392 0.7008 1.2096 1.6377 1.6326 10.3592 2.6246 4.0810 0.6309 0.2701 1.3760 3.5474 2.2126 1.1231 3.1282 0.7621 0.2102 0.8647 1.5171 1.5024 1.5593 4.0946 1.3661 2.1085 1.8591 0.9085 3.9678 6.2954 1.0442 1.6964 2.2571 3.6861 0.7348 0.0422 0.6501 0.9604 2.7756 2.7044 0.2778 0.4132 5.5740 0.7333 4.1781 1.4607 2.1111 0.3441 2.0634 8.0478 6.4781 3.8179 6.6714 7.8077 4.5865 3.4004 0.6386 1.0186 3.2498 3.8704 4.6954 1.3421 9.7185 1.5863 10.2795 12.8950 21.2849 8.5676 1.4491 8.1086 8.5045 11.6502 1.5704 6.0510 1.4967 9.3655 1.8817 3.0358 2.1619 1.6511 0.8808 30.8216 12.3401 0.1358 1.2200 0.3139 8.2035 4.6828 1.2558 11.9358 8.5319 6.6291 25.7835 5.0913 8.3729 2.0953 0.8709 5.0594 4.4460 7.9563 19.1527 2.2303 6.8384 7.6375 3.6821 3.9249 14.7322 4.5864 5.7105 8.9946 5.3333 7.8860 33.0959 12.1152 14.9775 1.3608 17.0482 18.7956 23.1453 8.3092 2.5551 21.0762 3.1343 3.2432 11.3766 108.6157 6.6285 10.6783 18.9693 6.2466 6.1095 6.7904 8.1762 48.5822 22.2150 3.2078 5.0801 5.3943 4.5290 21.4345 18.8720 1.0280 28.3175 108.1737 7.7734 14.0036 10.8650 33.3668 357.5062 169.9523 35.1801 43.9322 51.3925 25.3909 134.1280 68.8473 48.0393 3.9404 93.0318 44.8914 33.4312 60.8074 104.8809 55.9303 78.6775 85.1627 40.7966 75.5209 81.4712 139.2608 144.9705 108.5635 121.9520 86.4054 106.5437 52.1457 89.3218 117.7533
0.7496 0.7484 0.7500 0.7487 0.7044 0.7496 0.7164 0.6867 0.7210 0.7326 0.7344 0.7085 0.7458 0.7483 0.7494 0.3630 0.4736 0.1929 0.7382 0.5834 0.5800 0.7145 0.7392 0.6727 0.7499 0.6661 0.4507 0.1423 0.4639 0.6856 0.7416 0.6899 0.6266 0.4423 0.5251 0.6969 0.6047 0.6675 0.5701 0.7419 0.6400 0.2889 0.2314 0.5648 0.5210 0.6798 0.5461 0.7223 0.4588 0.6866 0.6862 0.3147 0.7003 0.7295 0.6710 0.7429 0.3267 0.2217 0.2571 0.7022 0.6189 0.7499 0.2163 0.6866 0.2312 0.2598 0.0772 0.1319 0.1599 0.3059 0.6541 0.2260 0.4504 0.1591 0.7418 0.2038 0.5669 0.4276 0.7397 0.6839 0.7406 0.6011 0.6676 0.1794 0.0682 0.7478 0.5204 0.5366 0.3221 0.5474 0.3934 0.4053 0.5037 0.1287 0.2057 0.3860 0.5236 0.2129 0.6601 0.6851 0.3299 0.0779 0.1868 0.7340 0.2104 0.5866 0.6930 0.3043 0.3831 0.1418 0.4347 0.1870 0.4619 0.0854 0.6553 0.2148 0.6592 0.5789 0.1416 0.5650 0.2844 0.2895 0.4167 0.1700 0.6185 0.5217 0.7440 0.7405 0.4361 0.6641 0.3429 0.4468 0.7459 0.7466 0.4831 0.1261 0.1951 0.7497 0.2857 0.4099 0.4515 0.7040 0.7426 0.6755 0.1368 0.1464 0.2067 0.2505 0.7487 0.2770 0.2392 0.7333 0.6549 0.2085 0.0766 0.7171 0.0611 0.4800 0.5489 0.7477 0.0637 0.3532 0.6852 0.1379 0.2718 0.4536 0.4106 0.5972 0.6325 0.5690 0.2119 0.2682 0.3129 0.1633 0.1334 0.5624 0.1304 0.2822 0.2012 0.2917
0.8569 0.8561 0.8571 0.8563 0.8265 0.8569 0.8347 0.8142 0.8379 0.8456 0.8468 0.8294 0.8544 0.8560 0.8568 0.5326 0.6428 0.3234 0.8494 0.7369 0.7342 0.8335 0.8500 0.8044 0.8571 0.7996 0.6214 0.2492 0.6338 0.8135 0.8516 0.8165 0.7704 0.6133 0.6886 0.8214 0.7537 0.8006 0.7262 0.8518 0.7805 0.4483 0.3758 0.7219 0.6851 0.8094 0.7064 0.8388 0.6291 0.8142 0.8139 0.4788 0.8237 0.8436 0.8031 0.8525 0.4925 0.3630 0.4090 0.8250 0.7646 0.8571 0.3557 0.8142 0.3755 0.4124 0.1433 0.2331 0.2757 0.4685 0.7909 0.3687 0.6211 0.2745 0.8518 0.3386 0.7236 0.5990 0.8504 0.8123 0.8509 0.7508 0.8007 0.3042 0.1277 0.8557 0.6846 0.6984 0.4873 0.7075 0.5646 0.5768 0.6699 0.2280 0.3413 0.5570 0.6874 0.3511 0.7953 0.8131 0.4962 0.1446 0.3148 0.8466 0.3477 0.7394 0.8187 0.4666 0.5540 0.2484 0.6060 0.3151 0.6319 0.1574 0.7917 0.3536 0.7946 0.7333 0.2481 0.7220 0.4429 0.4490 0.5883 0.2906 0.7643 0.6857 0.8532 0.8509 0.6074 0.7981 0.5107 0.6176 0.8545 0.8549 0.6515 0.2239 0.3265 0.8570 0.4444 0.5815 0.6221 0.8263 0.8523 0.8063 0.2407 0.2554 0.3425 0.4007 0.8563 0.4338 0.3861 0.8461 0.7915 0.3450 0.1423 0.8352 0.1151 0.6487 0.7088 0.8556 0.1197 0.5220 0.8132 0.2424 0.4274 0.6241 0.5821 0.7478 0.7749 0.7253 0.3497 0.4229 0.4767 0.2807 0.2353 0.7199 0.2307 0.4402 0.3350 0.4517
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 58 59 60 61 62
6 6 6 8 6 6 1 6 7 6 6 6 6 6 6 7 6 7 6 7 8 6 6 6 6 6 6 6 9 6 6 6 6 6 6 9 8 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 15.99491 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 14.00307 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 1.00783 1.00783 1.00783 1.00783 1.00783
11621.5104 61622.6685 71356.0810
0.99993 0.01194 -0.00209 -0.01193 0.99991 0.00599 0.00216 -0.00597 0.99998
1
0.00745 0.00141 0.00121
0.15529 0.02929 0.02529
12.58 17.95 22.37 31.44 39.55 42.92 48.07 54.03 71.41 79.94 89.58 101.63 127.40 148.76 153.96 169.84 192.10 211.13 216.59 239.22 264.81 274.05 308.28 365.10 387.67 391.71 412.34 458.92 467.61 486.11 510.72 547.01 587.85 634.45 648.77 654.77 664.74 669.79 672.72 682.50 690.63 713.70 739.35 765.59 796.12 803.06 816.35 832.73 850.43 878.96 918.94 940.70 998.97 1010.51 1024.60 1030.25 1059.30 1076.71 1094.52 1114.01 1161.46 1162.91 1180.97 1252.46 1276.76 1299.09 1312.62 1322.60 1332.32 1344.54 1352.52 1358.01 1399.64 1418.42 1454.31 1465.46 1486.24 1490.36 1528.81 1540.42 1543.06 1567.77 1569.76 1573.01 1577.38 1580.76 1601.53 1602.98 1606.63 1615.21 1625.31 1643.08 1645.95 1690.52 1694.78 1704.45 1720.30 1737.74 1751.32 1760.60 1772.91 1802.86 1821.07 1844.36 1848.03 1855.35 1860.10 1863.89 1869.32 1880.92 1904.19 1920.63 1932.04 1993.98 1998.19 2000.48 2011.23 2017.82 2046.33 2059.76 2062.35 2070.45 2081.14 2089.43 2096.66 2107.25 2191.51 2195.18 2223.89 2224.76 2256.52 2274.10 2277.20 2294.00 2312.23 2335.13 2342.90 2384.62 2388.15 2392.75 2402.57 2411.35 2421.95 2448.12 2456.79 2470.74 2566.88 2572.20 2583.93 2595.40 2620.52 2625.80 2627.75 2713.21 4554.73 4559.43 4580.52 4611.55 4627.23 4639.45 4655.09 4674.22 4727.62 4791.13 4823.50 4834.80 4838.82 4860.92 4863.42 4879.93 4887.25 4890.71 4895.84 4898.57 4904.97 4909.41 4911.52 4925.03 5518.59 5888.61
0.530190
0.561087
0.562031
0.459329
-1678.252554
-1678.221657
-1678.220713
-1678.323415
3.444642D-04
MUNgauss
RevisionA2.0
retrievium
09-Jan-2020
DUDE C=CCOC[C@@H](CNc1ccc(cc1)n2c(nc(n2)OCc3ccc(cc3)F)c4cccc(c4)F)O C35742978
RHF
6-31G(d)
(6D,10F)
C1
492.197297
|X|Y|Z|
180.264260 75.598080 26.529024
71.238356
25
|36.858105|
|14.461496|36.858105|
|7.645567|12.709427|36.858105|
|5.506835|8.079551|13.588540|73.516695|
|4.051546|5.218102|8.068911|24.232245|36.858105|
|3.322486|4.070447|5.222634|14.464198|12.544290|36.858105|
|3.217368|4.002658|4.847341|13.102106|8.946670|17.522808|0.500000|
|2.683233|3.139897|3.908889|9.126098|7.547329|12.537000|0.247909|36.858105|
|2.350127|2.689529|3.151197|7.121561|5.042656|7.888024|0.199452|13.197046|53.358707|
|2.021445|2.264520|2.607983|5.582748|3.826481|5.100547|0.132806|7.717214|18.728177|36.858105|
|1.835110|2.024256|2.264738|4.761507|3.096043|3.978971|0.107097|5.116965|10.807408|13.592964|36.858105|
|1.628555|1.775923|1.969352|4.028712|2.584174|3.137295|0.084787|3.907116|7.073146|7.880553|13.853328|36.858105|
|1.566664|1.706678|1.907983|3.845475|2.496272|2.930850|0.078555|3.722916|6.203272|6.811910|7.950861|13.716525|36.858105|
|1.675177|1.839882|2.095654|4.231323|2.827566|3.294108|0.086927|4.427595|7.011968|7.893276|6.906435|7.970432|13.817297|36.858105|
|1.904497|2.123117|2.466665|5.114911|3.550613|4.324613|0.111781|6.519896|10.623680|13.674543|7.948049|6.882658|7.931324|13.744150|36.858105|
|1.404638|1.515357|1.675071|3.315253|2.112427|2.406171|0.064920|2.923907|4.627401|4.513937|5.159818|7.840316|13.379714|7.808587|5.134293|53.358707|
|1.312777|1.414509|1.555657|3.047754|1.926943|2.156198|0.058863|2.569487|3.948957|3.660784|3.983832|5.349278|7.587827|5.946649|4.204157|19.468408|36.858105|
|1.216842|1.300691|1.420293|2.755840|1.723090|1.903146|0.051816|2.220440|3.357352|3.003145|3.276471|4.229367|5.349434|4.396776|3.346122|11.982891|14.530893|53.358707|
|1.236354|1.316271|1.436625|2.792624|1.743941|1.934808|0.052178|2.256282|3.437878|3.088596|3.460746|4.569209|5.569428|4.365085|3.361796|12.555024|9.177037|19.301573|36.858105|
|1.341422|1.433489|1.574034|3.091738|1.947738|2.196247|0.058777|2.608475|4.069017|3.795770|4.406831|6.288807|7.928207|5.516086|4.102236|19.058273|8.671898|11.627776|14.746947|53.358707|
|1.161302|1.227444|1.330925|2.567136|1.587212|1.742863|0.046927|1.995423|2.999585|2.612459|2.904788|3.637453|4.116843|3.416756|2.783076|7.753171|5.672220|11.027480|14.387107|11.401612|73.516695|
|1.077505|1.136046|1.226278|2.347063|1.442237|1.565932|0.042399|1.772023|2.625070|2.239782|2.437409|2.944641|3.308386|2.876046|2.394192|5.922191|4.768152|9.505342|8.133878|7.320701|23.967034|36.858105|
|1.019937|1.068625|1.147293|2.183370|1.331184|1.435464|0.038788|1.603277|2.355878|1.972182|2.137735|2.509425|2.723401|2.415918|2.075949|4.565516|3.493536|6.149509|5.268084|5.581480|14.257998|12.623650|36.858105|
|0.952820|0.996170|1.063536|2.016100|1.220871|1.310649|0.035607|1.448620|2.119535|1.751074|1.889569|2.180418|2.330611|2.093293|1.829669|3.803104|2.956532|5.025979|3.997109|4.420419|9.391015|7.601246|13.730617|36.858105|
|0.907769|0.944814|1.004782|1.896280|1.142124|1.219573|0.033096|1.336412|1.943070|1.586109|1.702722|1.930239|2.034183|1.850477|1.645255|3.221464|2.453334|3.993053|3.181079|3.703361|7.137862|5.024992|7.884329|13.745133|36.858105|
|0.919728|0.954456|1.015497|1.913660|1.152220|1.227817|0.033147|1.343950|1.947661|1.585083|1.698157|1.912550|2.005867|1.833509|1.640077|3.134786|2.328890|3.720997|3.049640|3.652832|6.864456|4.462752|6.901111|8.027564|13.844992|36.858105|
|0.978652|1.016430|1.086251|2.052084|1.241635|1.326410|0.035606|1.461853|2.121891|1.739308|1.866900|2.116952|2.232579|2.032321|1.805594|3.507738|2.554051|4.091878|3.494382|4.211551|8.161553|5.009943|7.897489|6.885967|7.909054|13.819514|36.858105|
|1.034864|1.080239|1.160508|2.204230|1.343336|1.444400|0.038752|1.610501|2.354864|1.961236|2.118442|2.456598|2.638988|2.364517|2.055364|4.292671|3.133977|5.220729|4.665605|5.355637|12.126834|7.530271|13.702134|7.970122|6.866994|8.011994|13.768025|36.858105|
|0.875883|0.905506|0.959668|1.801027|1.078827|1.144025|0.030893|1.242328|1.790580|1.442053|1.536843|1.706038|1.772398|1.636829|1.483991|2.713819|2.004936|3.124992|2.523886|3.105582|5.437144|3.401875|4.655779|5.309708|8.164657|14.309684|8.158878|5.306263|97.533100|
|1.315769|1.426037|1.569114|3.069744|1.942184|2.160603|0.059834|2.564851|3.886331|3.520405|3.656489|4.526574|6.012634|5.497448|4.109445|10.292703|12.870229|10.568923|5.421888|7.128072|7.144160|3.698473|2.863065|2.535783|2.146334|2.024116|2.170443|2.574148|3.990211|36.858105|
|1.237570|1.335827|1.465938|2.830780|1.780552|1.938076|0.053630|2.263150|3.319619|2.892103|2.920188|3.431376|4.318380|4.247393|3.372928|7.075525|7.733779|8.836789|4.547192|5.631082|6.454508|3.575065|2.793966|2.520995|2.135467|1.995602|2.114343|2.485879|3.944029|13.692279|36.858105|
|1.220558|1.320673|1.445244|2.777822|1.738724|1.875002|0.052435|2.160113|3.122142|2.643277|2.617151|2.946778|3.529879|3.601048|3.043039|5.324544|5.090505|6.046597|3.428516|4.381552|5.122505|2.877542|2.352945|2.179840|1.885320|1.763524|1.844739|2.117742|3.537531|7.923648|13.767315|36.858105|
|1.274307|1.388097|1.517466|2.934719|1.835176|1.993242|0.056555|2.287567|3.326213|2.788110|2.741257|3.015214|3.501885|3.602166|3.160630|4.980403|4.466545|5.115482|3.044058|4.045075|4.565842|2.511524|2.096669|1.953433|1.711046|1.610573|1.682475|1.911015|3.258614|6.837816|7.921038|13.753308|36.858105|
|1.358179|1.487683|1.630035|3.197723|2.009968|2.233447|0.063831|2.595786|3.890082|3.333773|3.320744|3.682949|4.251275|4.280029|3.739527|5.820385|5.072167|5.428948|3.283875|4.521976|4.809825|2.563618|2.132464|1.966539|1.721345|1.629497|1.714587|1.955796|3.291807|8.003960|6.947273|8.032922|13.830211|36.858105|
|1.384231|1.512501|1.663291|3.287089|2.080438|2.349318|0.066248|2.789034|4.309883|3.895233|4.032728|4.807471|5.904388|5.516380|4.422260|8.348447|7.585498|7.122938|4.203105|5.918307|5.835864|3.006466|2.435602|2.198802|1.900090|1.802707|1.919635|2.227869|3.603740|13.702904|7.916439|6.863087|7.886270|13.836262|36.858105|
|1.408734|1.552933|1.693505|3.341395|2.085372|2.332408|0.068110|2.664005|4.007230|3.320683|3.283525|3.466962|3.750146|3.800777|3.565557|4.868755|3.937994|4.377992|2.783552|3.911969|4.180464|2.220937|1.892830|1.761504|1.562918|1.487279|1.559229|1.755591|3.032535|5.308173|4.678571|5.315377|8.171588|14.326374|8.187754|97.533100|
|3.374567|3.963898|4.750266|12.414193|7.957248|13.575417|0.258618|8.085744|9.441492|4.721727|3.973716|3.110144|2.815988|3.043526|3.842682|3.173831|2.065084|2.512260|1.907641|2.964621|3.087084|1.551415|1.434838|1.309278|1.224154|1.239204|1.342070|1.454837|2.605293|2.026063|1.811964|1.734798|1.825067|2.041186|2.176104|4.754991|73.516695|
|17.718937|9.106843|5.483919|7.818509|3.374275|2.897438|0.079496|2.382258|2.905556|1.855098|1.705846|1.523209|1.461726|1.549998|1.745314|1.795111|1.237123|1.566550|1.168629|1.718960|1.957904|1.025035|0.972909|0.912096|0.870795|0.881618|0.935271|0.986162|1.893268|1.240715|1.169202|1.155408|1.207037|1.284339|1.305696|3.003965|5.275570|0.500000|
|17.692559|9.086420|6.923881|8.894099|3.911841|3.184596|0.083358|2.631973|3.122154|1.991235|1.806802|1.611062|1.556866|1.667866|1.889759|1.904521|1.305277|1.651918|1.237419|1.827768|2.072129|1.080885|1.025747|0.956819|0.913154|0.928023|0.989550|1.044843|1.990653|1.301795|1.226729|1.205413|1.250859|1.328968|1.359922|3.078763|5.816873|0.289274|0.500000|
|9.153628|17.680713|8.705678|12.840339|4.803490|3.970873|0.114308|3.053196|3.630285|2.241467|2.015507|1.766332|1.690161|1.813163|2.088568|2.043519|1.406651|1.757272|1.301274|1.925134|2.153553|1.123140|1.054623|0.985523|0.933628|0.940158|0.998380|1.061709|2.005911|1.426162|1.334616|1.325615|1.402663|1.507388|1.523999|3.572298|6.769950|0.218164|0.173422|0.500000|
|6.049724|8.927699|17.481383|16.597165|7.314559|4.756977|0.126320|3.758833|4.097821|2.532152|2.184264|1.917778|1.881556|2.085635|2.446557|2.256947|1.552761|1.926331|1.420921|2.107791|2.335017|1.215612|1.134276|1.052947|0.993363|1.001324|1.069039|1.143377|2.127615|1.580945|1.486617|1.476477|1.554673|1.660558|1.678398|3.889760|7.245603|0.130322|0.154263|0.205195|0.500000|
|7.244172|8.899983|17.518564|16.504851|7.189304|4.778714|0.117193|3.770862|4.129143|2.551570|2.220241|1.943649|1.892639|2.081871|2.436466|2.269304|1.543228|1.926515|1.439452|2.148444|2.379912|1.231955|1.156513|1.069855|1.012942|1.027783|1.102549|1.175931|2.187999|1.544360|1.445934|1.417428|1.475222|1.577867|1.620386|3.650026|8.095969|0.142924|0.216999|0.172144|0.301037|0.500000|
|3.699868|4.753412|7.125483|16.508040|17.495373|8.819144|0.214803|6.812887|6.298586|3.662682|2.942168|2.500904|2.465011|2.836013|3.544774|2.855378|1.938261|2.350322|1.727837|2.605787|2.785514|1.432602|1.316942|1.210252|1.129796|1.135518|1.220218|1.322149|2.389851|1.983652|1.833060|1.809102|1.920996|2.092173|2.134712|4.906407|10.143986|0.086983|0.098574|0.125392|0.216022|0.171498|0.500000|
|3.941821|4.763870|7.300540|16.538253|17.506757|8.863556|0.174353|6.910014|6.359383|3.706033|3.011122|2.547340|2.486693|2.831498|3.521779|2.878250|1.919313|2.350409|1.760757|2.681524|2.861624|1.459516|1.352028|1.235759|1.158554|1.174506|1.271056|1.373574|2.476327|1.912762|1.760409|1.705789|1.777550|1.931844|2.016390|4.440107|12.704822|0.090424|0.111251|0.116218|0.180790|0.217836|0.299627|0.500000|
|2.559046|3.011472|3.758302|8.412499|6.900877|8.942165|0.217313|17.563258|12.492761|6.841114|4.599210|3.698808|3.683856|4.557415|6.725796|3.977767|2.625738|3.060932|2.241736|3.479817|3.502548|1.765965|1.587676|1.438508|1.322955|1.323550|1.433998|1.582917|2.749364|2.693399|2.396481|2.319738|2.483840|2.812996|2.962608|6.537474|10.295265|0.063354|0.069399|0.082199|0.105205|0.099247|0.204272|0.170494|0.500000|
|2.651832|3.034686|3.818657|8.477977|6.967950|8.880675|0.174320|17.471443|12.283095|6.843739|4.746003|3.776795|3.690134|4.448744|6.364117|3.986837|2.552025|3.033297|2.292214|3.622134|3.625901|1.803860|1.639417|1.473115|1.362359|1.378999|1.509713|1.662544|2.869279|2.500006|2.224470|2.100528|2.181573|2.436332|2.642019|5.499129|12.819386|0.064991|0.073922|0.079889|0.101260|0.107342|0.170669|0.210295|0.300932|0.500000|
|2.413729|2.741424|3.148276|7.186074|4.818735|7.644847|0.193419|9.351012|26.000861|9.504302|7.540972|4.900512|4.089337|4.329093|5.848716|4.281697|2.678747|3.159275|2.410694|3.881455|3.793223|1.864421|1.690553|1.524964|1.405589|1.414097|1.540240|1.699134|2.935751|2.594949|2.228593|2.092475|2.216116|2.571354|2.847405|5.970338|14.718378|0.061149|0.065351|0.075543|0.081518|0.084404|0.117373|0.124792|0.182600|0.206358|0.500000|
|1.871782|2.060014|2.271506|4.811968|3.046104|3.972787|0.108787|4.731750|9.929925|8.886173|17.710048|8.968449|5.654735|4.968770|5.648870|5.695884|3.374154|3.920217|3.059662|5.143993|4.709115|2.247416|2.006153|1.792040|1.629543|1.628544|1.780394|1.995634|3.339440|3.125442|2.559133|2.330043|2.452332|2.934532|3.450459|6.683970|7.419522|0.048575|0.050951|0.057279|0.060144|0.061563|0.078998|0.081490|0.114927|0.120131|0.226322|0.500000|
|1.528688|1.653843|1.808823|3.667706|2.302937|2.754765|0.075154|3.274941|5.726689|5.617510|8.943341|17.735780|8.931004|5.668452|4.958551|9.837286|5.139046|5.847368|4.804379|8.929953|6.925234|3.109023|2.659816|2.312417|2.040970|2.016219|2.227774|2.590373|4.032090|4.219395|3.241585|2.779733|2.823834|3.406514|4.397006|7.237498|4.955993|0.039991|0.041992|0.045814|0.048791|0.049612|0.061720|0.063064|0.085990|0.088248|0.115427|0.215973|0.500000|
|1.600124|1.749845|1.993578|3.953509|2.631738|2.952377|0.077927|3.855226|5.676015|5.631732|4.970261|5.660825|8.951306|17.727290|8.935498|9.738257|6.175777|6.276375|4.396977|7.086572|6.129762|2.965386|2.469052|2.135572|1.881095|1.859234|2.060051|2.405620|3.725959|5.930327|4.823772|4.015053|3.861142|4.372126|5.473425|8.390038|4.811350|0.041154|0.044414|0.047776|0.055665|0.055265|0.074491|0.073851|0.113561|0.109722|0.099091|0.107808|0.124540|0.500000|
|2.003879|2.250354|2.668802|5.502451|3.951739|4.622271|0.117185|7.254299|9.584328|8.865410|5.636121|4.960814|5.665801|8.979156|17.760785|5.686732|3.632156|4.050493|2.950305|4.710254|4.439211|2.194211|1.922326|1.707419|1.545800|1.543418|1.692368|1.909018|3.160970|3.672376|3.165869|2.936332|3.053324|3.496095|3.913154|7.572861|6.922547|0.050608|0.055365|0.061126|0.074594|0.073373|0.113001|0.109767|0.234374|0.203019|0.145868|0.123798|0.107685|0.217605|0.500000|
|1.057070|1.116350|1.200993|2.301820|1.409598|1.534722|0.041870|1.728786|2.574547|2.190195|2.399034|2.900390|3.216268|2.773943|2.322533|5.740578|4.830203|9.686361|7.212520|6.691241|16.518228|17.608054|8.878304|7.215724|4.746144|4.000817|4.198148|5.627916|7.062213|3.859941|3.739137|3.023322|2.643041|2.696598|3.152810|5.242427|2.696080|0.027994|0.029353|0.030781|0.033112|0.033363|0.038982|0.039368|0.048025|0.048402|0.050805|0.061806|0.086049|0.078787|0.059015|0.500000|
|1.077998|1.137547|1.232189|2.350317|1.449860|1.563502|0.042260|1.776517|2.602309|2.218604|2.363838|2.824339|3.262451|2.926892|2.419255|5.809478|4.866657|9.736609|7.311109|6.790117|16.573240|17.577060|8.866086|6.268273|4.455104|4.017589|4.472008|6.308749|7.089680|3.868746|3.916341|3.109497|2.639198|2.635838|3.059877|5.070548|2.731639|0.028440|0.030072|0.031198|0.034071|0.034423|0.040223|0.040839|0.049577|0.050399|0.050908|0.059989|0.080604|0.086222|0.062310|0.302864|0.500000|
|0.938237|0.982782|1.047998|1.987426|1.202430|1.291574|0.035263|1.425912|2.088844|1.724593|1.859783|2.146569|2.297728|2.064385|1.803406|3.760084|3.001748|5.126715|3.872350|4.247525|8.586802|7.057924|8.912081|17.701688|8.957262|5.693547|4.957588|5.654833|9.620947|2.624191|2.640999|2.294741|2.047717|2.046829|2.273218|4.111396|2.283321|0.024974|0.026106|0.027083|0.028887|0.029188|0.033220|0.033664|0.039518|0.040037|0.041635|0.048994|0.063236|0.058588|0.046779|0.218872|0.167472|0.500000|
|0.865868|0.900122|0.954075|1.796364|1.077754|1.147773|0.031245|1.250555|1.813519|1.470116|1.573162|1.767703|1.851961|1.695532|1.519993|2.897861|2.219098|3.552431|2.762134|3.261898|5.946473|4.089267|5.609166|8.845818|17.741061|8.963758|5.646306|4.950957|16.697101|1.980708|1.984842|1.777771|1.621454|1.623472|1.771896|3.336304|2.046521|0.023122|0.024170|0.024745|0.026226|0.026681|0.029654|0.030304|0.034449|0.035300|0.036477|0.042019|0.051840|0.047839|0.039831|0.112345|0.103578|0.214122|0.500000|
|0.982655|1.017336|1.086626|2.048063|1.237160|1.317388|0.035227|1.446957|2.090410|1.702588|1.819423|2.039238|2.134794|1.960901|1.760736|3.286494|2.353129|3.675125|3.140980|3.924774|7.040399|4.072682|5.614563|4.960739|5.649193|8.962857|17.739468|8.860535|16.708685|2.013611|1.954510|1.718362|1.578749|1.612996|1.799409|3.322823|2.381343|0.026082|0.027675|0.027685|0.029641|0.030743|0.033668|0.035324|0.039262|0.041726|0.042310|0.048387|0.059312|0.055054|0.046017|0.096433|0.104016|0.107638|0.124662|0.500000|
|1.093195|1.142292|1.232870|2.347698|1.438416|1.550534|0.041346|1.742260|2.550547|2.141290|2.313428|2.699233|2.923366|2.612588|2.254320|4.760174|3.363911|5.521593|5.207555|6.169365|13.561389|6.973801|8.922039|5.662910|4.951435|5.684702|8.948188|17.749363|9.612381|2.703543|2.571981|2.171759|1.964159|2.026483|2.333031|4.087055|2.782171|0.028850|0.030719|0.031100|0.033681|0.034797|0.039217|0.041036|0.047370|0.050324|0.051075|0.060085|0.078555|0.073762|0.057907|0.142453|0.169522|0.124273|0.107534|0.213780|0.500000|
|1.188352|1.275476|1.397589|2.681689|1.681519|1.815185|0.049838|2.107805|3.063740|2.649467|2.683565|3.155173|3.947547|3.860138|3.075570|6.702019|7.214510|9.743947|4.875851|5.704663|7.078101|4.072805|3.114747|2.789229|2.332694|2.167987|2.300382|2.734170|4.246863|8.932302|17.760304|8.905888|5.638191|4.993980|5.645806|8.332189|3.043040|0.031206|0.032854|0.035259|0.039303|0.038516|0.047892|0.046568|0.061445|0.058328|0.057637|0.065816|0.083861|0.123322|0.080758|0.116746|0.130294|0.081259|0.059856|0.058603|0.078247|0.500000|
|1.162001|1.252352|1.366292|2.603097|1.620333|1.725437|0.048158|1.965056|2.799051|2.328450|2.293426|2.545045|2.993213|3.076437|2.659083|4.494027|4.145978|5.238570|3.050801|3.853758|4.709796|2.711505|2.255379|2.116985|1.843367|1.719651|1.785042|2.030297|3.465681|5.641468|8.933724|17.727213|8.936045|5.689836|4.947621|9.616049|2.844440|0.030609|0.031929|0.034880|0.038881|0.037303|0.046928|0.044310|0.058543|0.053421|0.052448|0.057375|0.067198|0.095538|0.072440|0.078843|0.082473|0.062146|0.048588|0.046201|0.057388|0.214811|0.500000|
|1.249771|1.361721|1.482242|2.849615|1.769176|1.901938|0.054334|2.148194|3.080476|2.517105|2.452746|2.631173|2.969626|3.084174|2.808390|4.141583|3.568349|4.235619|2.600139|3.466851|3.997345|2.217925|1.889615|1.781255|1.577788|1.487153|1.543732|1.732639|3.033366|4.936053|5.621575|8.836497|17.742353|8.964079|5.640406|16.727571|3.084303|0.032965|0.033992|0.038360|0.042404|0.039881|0.051773|0.047394|0.065103|0.056693|0.057270|0.061892|0.068815|0.090966|0.076753|0.064715|0.064566|0.051897|0.041831|0.040398|0.049244|0.123579|0.212918|0.500000|
|1.449955|1.589455|1.747102|3.495168|2.213665|2.558021|0.072548|3.055783|4.921653|4.572676|4.960900|6.043031|6.948368|6.010331|4.939592|8.848403|6.880614|6.550728|4.153344|6.188163|5.776204|2.894630|2.377938|2.139891|1.861719|1.779321|1.902897|2.201275|3.567052|8.815832|5.615883|4.952022|5.650062|8.999012|17.773588|16.844791|4.236463|0.037973|0.039464|0.044587|0.048632|0.047127|0.062489|0.059222|0.088876|0.079217|0.090389|0.116322|0.151472|0.150028|0.115823|0.083896|0.079941|0.060959|0.048169|0.049809|0.064411|0.123666|0.107522|0.124869|0.500000|
|3.913550|4.660740|5.403853|14.723726|7.652436|9.901705|0.227368|5.977471|7.133824|3.846001|3.361727|2.715872|2.475579|2.646854|3.237311|2.848977|1.876464|2.303941|1.745074|2.680881|2.847912|1.442327|1.342232|1.232000|1.157140|1.171614|1.263487|1.361185|2.474200|1.848882|1.669114|1.608723|1.693361|1.878972|1.982351|4.397747|35.678828|0.094905|0.103510|0.124134|0.122372|0.140486|0.151439|0.186122|0.131799|0.152072|0.168021|0.098932|0.068877|0.066392|0.091557|0.039248|0.039668|0.033603|0.030328|0.035081|0.040485|0.043918|0.041457|0.045035|0.059887|0.500000|
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