Version2.0
2020-07-30T21:18:57Z
10.1021/jm300687e
Gaussian16
RevisionB.01
SBUNGAY
10-Jul-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1ccc(cc1)C2=C(O[C@@H]([C@H]2C#N)c3c[nH]c4c3cccc4)NC(C)(C)C C39126597
RHF
6-31G(d)
(6D,7F)
Cc1ccc(cc1)C2=C(O[C@@H]([C@H]2C#N)c3c[nH]c4c3cccc4)NC(C)(C)C
C01[X(C24H25N3O1)]
153
C1
470
N#C[C@H]1C(=C(O[C@@H]1c1c[nH]c2c1cccc2)NC(C)(C)C)c1ccc(cc1)C
N#C[C@H]1C(=C(O[C@@H]1c1c[nH]c2c1cccc2)NC(C)(C)C)c1ccc(cc1)C
Cc1ccc(cc1)C2=C(NC(C)(C)C)O[C@@H]([C@H]2C#N)c3c[nH]c4ccccc34
InChIKey=FCEMRRQSXFVRNR-AVRDEDQJSA-N
InChI=1S/C24H25N3O/c1-15-9-11-16(12-10-15)21-18(13-25)22(28-23(21)27-24(2,3)4)19-14-26-20-8-6-5-7-17(19)20/h5-12,14,18,22,26-27H,1-4H3/t18-,22-/m0/s1
InChI=1/C24H25N3O/c1-15-9-11-16(12-10-15)21-18(13-25)22(28-23(21)27-24(2,3)4)19-14-26-20-8-6-5-7-17(19)20/h5-12,14,18,22,26-27H,1-4H3/t18-,22-/m0/s1
Cc1ccc(cc1)C2=C(O[C@@H]([C@H]2C#N)c3c[nH]c4c3cccc4)NC(C)(C)C
C01[X(C24H25N3O1)]
153
C01
470
N#C[C@H]1C(=C(O[C@@H]1c1c[nH]c2c1cccc2)NC(C)(C)C)c1ccc(cc1)C
N#C[C@H]1C(=C(O[C@@H]1[C]1=CN[C]2[C]1[CH][CH][CH][CH]2)NC(C)(C)C)[C]1[CH][CH][C]([CH][CH]1)C
C[C]1[CH][CH][C]([CH][CH]1)C2=C(NC(C)(C)C)O[C@@H]([C@H]2C#N)C3=CN[C]4[CH][CH][CH][CH][C]34
InChIKey=FCEMRRQSXFVRNR-AVRDEDQJSA-N
InChI=1S/C24H25N3O/c1-15-9-11-16(12-10-15)21-18(13-25)22(28-23(21)27-24(2,3)4)19-14-26-20-8-6-5-7-17(19)20/h5-12,14,18,22,26-27H,1-4H3/t18-,22-/m0/s1
InChI=1/C24H25N3O/c1-15-9-11-16(12-10-15)21-18(13-25)22(28-23(21)27-24(2,3)4)19-14-26-20-8-6-5-7-17(19)20/h5-12,14,18,22,26-27H,1-4H3/t18-,22-/m0/s1
2510.3592916351
-1161.5987742
1-A
12337.1671
99
371
470
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11.21209
-0.5454 3.1452 -4.9686
5.9057
|XX|YY|ZZ|XY|XZ|YZ|
-147.3762 -161.5805 -169.9462 0.9918 -7.3451 2.1628
|XX|YY|ZZ|XY|XZ|YZ|
12.2581 -1.9462 -10.3119 0.9918 -7.3451 2.1628
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
8.7636 48.8736 -92.1563 -27.9780 -29.8589 -55.6642 22.8876 46.8649 -12.0209 -23.9394
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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371.19976
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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
9.3205 22.6582 26.8202 29.0494 35.4196 41.7409 52.8188 64.3529 95.7373 105.0117 124.7130 145.4908 162.5802 176.3718 213.1629 243.8956 246.0850 266.0785 277.8552 286.7283 301.8809 312.5829 326.7632 352.8898 362.0813 370.9152 379.7307 415.0485 443.0001 448.2244 459.7927 468.6269 474.9039 491.9606 518.7265 534.7392 543.4531 588.0554 609.8195 624.6092 636.5435 643.9383 681.4950 686.6284 699.5319 723.7626 777.9487 804.6634 812.8948 825.6930 835.6969 843.0046 851.3389 863.5414 879.5323 915.8267 931.3324 953.6817 959.1736 962.9635 968.1860 1000.8202 1007.1638 1017.0956 1045.7465 1056.7823 1066.0029 1066.8586 1085.0535 1088.9019 1106.2967 1107.9595 1114.1404 1115.0236 1132.0808 1145.9846 1156.1579 1159.4787 1173.5782 1195.4862 1200.4678 1205.0494 1211.8484 1239.3428 1247.1591 1291.8728 1314.6547 1329.0093 1344.0079 1350.4349 1356.9196 1370.3874 1375.5017 1386.8918 1388.3235 1414.5432 1428.6891 1450.5600 1461.5161 1462.6516 1503.5792 1533.3261 1555.5119 1556.1523 1559.4903 1565.3843 1567.4492 1584.1318 1591.0629 1624.3486 1626.7124 1631.8304 1633.2715 1636.2521 1639.5285 1641.2205 1651.5707 1662.5477 1663.1441 1671.3745 1696.9739 1752.7129 1757.3934 1784.2754 1822.5824 1824.6961 1870.3169 2597.7430 3201.6252 3202.4655 3207.7481 3216.8179 3249.6939 3254.3644 3262.6926 3268.5286 3270.1568 3276.8131 3278.9788 3287.7396 3297.5695 3324.5436 3349.9717 3350.6737 3354.0993 3360.7774 3371.6204 3373.4908 3386.9494 3390.1493 3462.9037 3826.0671 3923.2920
6.5287 2.7988 1.4768 2.3844 4.0382 3.6848 3.4474 5.6798 5.6299 4.4733 4.6504 4.9305 5.7715 4.3562 3.3358 1.7126 1.7382 5.5031 2.7711 1.8648 2.0750 1.4998 1.8565 2.2442 2.7556 2.6811 2.5693 2.6677 3.0124 3.3570 3.0626 4.6028 2.9809 2.7074 4.1434 3.1195 5.0665 3.2508 6.0459 2.5117 2.9823 3.9365 5.0286 4.0725 4.9517 4.4925 6.6321 3.4109 4.0972 4.8197 3.9436 1.3100 4.0897 4.5460 5.6673 4.4451 1.4476 4.6957 1.2499 1.5417 1.4421 2.7754 1.7415 1.8727 5.1092 1.2486 1.3753 3.1113 1.3598 1.5890 1.3085 1.3590 2.2467 3.3292 3.2062 2.7002 1.4119 1.6130 1.5324 1.6661 1.9743 3.7719 2.9847 1.6573 1.5023 2.4830 1.1593 3.2429 1.7450 1.8731 2.2812 1.7555 2.5911 3.0069 2.6248 2.2944 1.9154 1.7410 1.8551 1.3383 1.8001 1.9353 1.3495 1.2852 2.0298 2.2818 1.3172 1.3017 2.2056 1.0553 2.3826 1.0453 1.1502 1.0716 1.0711 1.0990 1.0767 2.6726 1.2081 1.0913 2.4522 5.7258 5.3430 5.8761 5.4902 5.5156 5.6904 12.6989 1.0384 1.0376 1.0390 1.0412 1.0851 1.1023 1.1022 1.1015 1.1032 1.0880 1.1022 1.1028 1.1010 1.0984 1.0891 1.0905 1.0869 1.0906 1.0953 1.0955 1.0979 1.0943 1.0987 1.0760 1.0813
0.0003 0.0008 0.0006 0.0012 0.0030 0.0038 0.0057 0.0139 0.0304 0.0291 0.0426 0.0615 0.0899 0.0798 0.0893 0.0600 0.0620 0.2296 0.1260 0.0903 0.1114 0.0863 0.1168 0.1647 0.2129 0.2173 0.2183 0.2708 0.3483 0.3974 0.3815 0.5956 0.3961 0.3861 0.6569 0.5256 0.8816 0.6623 1.3247 0.5773 0.7120 0.9617 1.3760 1.1312 1.4277 1.3865 2.3649 1.3012 1.5952 1.9360 1.6227 0.5485 1.7464 1.9973 2.5830 2.1966 0.7398 2.5163 0.6775 0.8423 0.7965 1.6379 1.0408 1.1414 3.2919 0.8216 0.9208 2.0865 0.9433 1.1101 0.9436 0.9829 1.6431 2.4387 2.4210 2.0893 1.1120 1.2776 1.2435 1.4030 1.6763 3.2271 2.5825 1.4998 1.3767 2.4416 1.1805 3.3748 1.8571 2.0126 2.4747 1.9423 2.8884 3.4077 2.9808 2.7049 2.3035 2.1583 2.3347 1.6868 2.3977 2.6808 1.9239 1.8337 2.9085 3.2943 1.9067 1.9247 3.2897 1.6405 3.7147 1.6399 1.8077 1.6904 1.6963 1.7442 1.7303 4.3525 1.9688 1.7961 4.1606 10.3636 9.7223 11.0221 10.7452 10.8199 11.7281 50.4904 6.2713 6.2699 6.2989 6.3481 6.7514 6.8786 6.9129 6.9330 6.9510 6.8830 6.9822 7.0232 7.0541 7.1527 7.2008 7.2131 7.2042 7.2577 7.3357 7.3454 7.4207 7.4104 7.7625 9.2803 9.8065
1.0012 0.2217 0.0541 1.0925 1.0616 0.1589 0.2445 1.8335 1.0501 0.0804 3.2474 1.8647 4.1230 2.1342 3.8665 5.9791 7.9590 0.4589 9.6836 2.5982 0.6067 0.2897 3.7615 43.1600 8.3586 22.2935 2.8262 14.6658 21.7179 5.7267 2.2590 4.3323 3.5299 8.0513 5.6308 7.7352 5.1789 14.0741 0.5996 19.4104 3.2835 5.5328 7.9185 9.2018 0.6838 11.2648 23.9733 6.0797 12.0434 16.4476 13.0214 76.5846 2.0653 9.1074 12.9194 4.5477 40.1836 0.3567 0.5220 3.6517 5.8771 6.0333 0.1341 3.7684 13.1343 2.7214 0.9444 46.4935 2.9211 0.5319 0.4241 0.6574 3.8235 28.2428 45.5315 17.5628 5.8093 4.2065 3.4230 90.1604 4.1808 50.6720 48.2262 7.7455 0.6223 1.1740 2.9141 0.7752 45.0125 24.2450 33.6712 20.1317 37.3103 51.7497 65.7001 46.7131 16.9503 41.3275 13.3256 1.5551 25.3016 164.0181 15.1007 12.5104 36.6662 87.9841 4.7209 53.7863 12.7446 0.3780 37.8535 4.1299 2.5145 0.1996 2.3282 3.9371 7.3930 6.4580 8.6316 4.9530 37.7096 32.4361 2.1175 3.7623 0.5716 4.9954 685.8448 15.0309 21.2022 49.4947 32.6715 25.9367 11.7782 29.9647 3.3415 39.4092 53.2551 20.9595 24.9080 65.3533 27.5164 23.7203 19.1826 25.4322 2.0771 4.6651 18.3623 38.0999 31.5044 6.4355 0.3186 20.4063 100.0002
2.5699 4.7834 4.1325 6.5829 1.6133 2.9124 1.2583 3.3004 0.6780 1.6028 0.9774 4.6214 1.9569 0.7245 1.5780 0.6810 0.3938 2.2920 2.1090 1.4233 0.1856 1.0763 1.6436 1.1909 1.0106 0.6434 0.5527 1.0069 0.7915 1.3688 1.1659 1.4148 0.9274 1.1483 1.0025 6.7245 3.7570 1.0182 4.7761 1.5671 0.5930 1.3249 3.3615 2.3399 5.8286 3.1505 5.4034 6.7120 9.9733 4.3840 7.4804 1.2160 2.5609 24.3151 3.3825 18.8080 1.0085 6.0019 3.5498 0.6210 2.5092 15.0680 8.7755 7.3420 2.8512 0.2717 0.1554 3.6854 2.5404 1.9791 0.3837 0.5983 18.5906 1.8134 4.8053 13.5121 7.1455 5.0530 0.1665 0.7914 0.6052 6.5315 2.3264 5.5851 9.7255 2.6205 6.0248 11.8002 9.0060 11.6108 2.4794 30.5851 4.4659 13.7417 22.1879 22.7973 24.4210 16.2632 17.5951 6.5964 10.1863 21.4836 2.1556 1.5481 3.8220 18.4228 17.3355 5.7414 37.3315 3.5872 10.4353 22.3342 30.6723 29.1374 26.7594 11.6814 11.5445 1.5244 8.1180 4.8624 15.2533 68.0077 6.1581 31.6610 155.0055 17.9358 149.5585 65.2993 15.0827 198.8725 19.0752 271.7331 81.4939 111.1706 10.0492 50.9850 90.0497 57.9570 65.8593 137.7468 41.3493 60.7875 66.2577 88.2445 27.3414 117.2274 79.6270 64.2455 272.5180 74.9411 68.5631 49.6221 108.2248
0.7499 0.6875 0.7497 0.7397 0.7263 0.7294 0.7362 0.7145 0.7317 0.6816 0.7469 0.7363 0.6522 0.4331 0.4590 0.5780 0.7419 0.2114 0.4516 0.1751 0.7393 0.7433 0.7278 0.7317 0.5192 0.4514 0.5478 0.5738 0.7290 0.3117 0.6627 0.7325 0.7453 0.7255 0.2109 0.1215 0.4907 0.2155 0.6175 0.7165 0.6266 0.7500 0.7497 0.4335 0.7130 0.4624 0.7292 0.0325 0.1661 0.2937 0.0967 0.7487 0.7485 0.0963 0.5077 0.0618 0.6983 0.1589 0.4732 0.2407 0.7011 0.7461 0.7471 0.7498 0.7035 0.4037 0.7477 0.6100 0.7238 0.7500 0.7328 0.7044 0.1188 0.6814 0.3645 0.4956 0.7351 0.4561 0.5956 0.7471 0.3811 0.4789 0.7485 0.2632 0.7500 0.1650 0.1857 0.0992 0.6188 0.1347 0.6639 0.2563 0.4676 0.4263 0.0751 0.2512 0.4634 0.3046 0.0957 0.3750 0.4499 0.7452 0.4344 0.7277 0.5846 0.7068 0.3847 0.7094 0.5486 0.7405 0.5246 0.7487 0.6680 0.7371 0.7494 0.5494 0.6173 0.7411 0.2895 0.3132 0.3007 0.3315 0.4894 0.1852 0.4419 0.7094 0.1768 0.2171 0.0771 0.0541 0.1107 0.0321 0.2507 0.7500 0.6597 0.6389 0.6739 0.2389 0.7484 0.6443 0.7437 0.6196 0.6118 0.3653 0.7499 0.6256 0.1577 0.6353 0.1240 0.1669 0.3079 0.1518 0.2393
0.8571 0.8148 0.8569 0.8504 0.8415 0.8436 0.8481 0.8335 0.8451 0.8107 0.8551 0.8481 0.7895 0.6044 0.6292 0.7325 0.8518 0.3490 0.6222 0.2980 0.8501 0.8528 0.8425 0.8451 0.6835 0.6221 0.7079 0.7292 0.8432 0.4753 0.7971 0.8456 0.8541 0.8409 0.3483 0.2167 0.6584 0.3545 0.7635 0.8349 0.7705 0.8571 0.8570 0.6048 0.8325 0.6324 0.8434 0.0630 0.2849 0.4541 0.1763 0.8563 0.8561 0.1758 0.6734 0.1163 0.8224 0.2742 0.6424 0.3881 0.8243 0.8546 0.8553 0.8570 0.8259 0.5752 0.8557 0.7577 0.8398 0.8571 0.8458 0.8266 0.2124 0.8105 0.5343 0.6627 0.8473 0.6264 0.7465 0.8553 0.5518 0.6476 0.8561 0.4167 0.8571 0.2832 0.3132 0.1806 0.7645 0.2375 0.7980 0.4081 0.6373 0.5978 0.1398 0.4015 0.6333 0.4670 0.1747 0.5455 0.6206 0.8540 0.6057 0.8424 0.7378 0.8282 0.5557 0.8300 0.7085 0.8509 0.6882 0.8563 0.8009 0.8487 0.8568 0.7091 0.7634 0.8513 0.4490 0.4770 0.4624 0.4979 0.6572 0.3126 0.6129 0.8300 0.3005 0.3568 0.1432 0.1026 0.1994 0.0622 0.4009 0.8571 0.7949 0.7797 0.8052 0.3857 0.8561 0.7837 0.8530 0.7651 0.7591 0.5351 0.8571 0.7697 0.2724 0.7770 0.2206 0.2860 0.4709 0.2637 0.3861
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
6 6 6 6 6 6 6 6 6 8 6 1 6 1 6 7 6 6 7 1 6 6 6 6 6 6 7 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
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 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
7957.4189 15686.7127 19620.5552
0.99998 -0.00539 0.00318 0.00536 0.99993 0.01017 -0.00323 -0.01015 0.99994
1
0.01088 0.00552 0.00441
0.22680 0.11505 0.09198
13.41 32.60 38.59 41.80 50.96 60.06 75.99 92.59 137.74 151.09 179.43 209.33 233.92 253.76 306.69 350.91 354.06 382.83 399.77 412.54 434.34 449.74 470.14 507.73 520.95 533.66 546.35 597.16 637.38 644.89 661.54 674.25 683.28 707.82 746.33 769.37 781.91 846.08 877.39 898.67 915.84 926.48 980.52 987.91 1006.47 1041.33 1119.29 1157.73 1169.57 1187.99 1202.38 1212.90 1224.89 1242.44 1265.45 1317.67 1339.98 1372.14 1380.04 1385.49 1393.00 1439.96 1449.08 1463.37 1504.60 1520.47 1533.74 1534.97 1561.15 1566.69 1591.71 1594.11 1603.00 1604.27 1628.81 1648.82 1663.45 1668.23 1688.52 1720.04 1727.21 1733.80 1743.58 1783.14 1794.38 1858.72 1891.49 1912.15 1933.73 1942.97 1952.30 1971.68 1979.04 1995.43 1997.49 2035.21 2055.56 2087.03 2102.80 2104.43 2163.32 2206.11 2238.03 2238.96 2243.76 2252.24 2255.21 2279.21 2289.18 2337.08 2340.48 2347.84 2349.91 2354.20 2358.92 2361.35 2376.24 2392.04 2392.89 2404.74 2441.57 2521.76 2528.50 2567.17 2622.29 2625.33 2690.97 3737.57 4606.42 4607.63 4615.23 4628.28 4675.58 4682.30 4694.29 4702.68 4705.03 4714.60 4717.72 4730.32 4744.47 4783.28 4819.86 4820.87 4825.80 4835.41 4851.01 4853.70 4873.06 4877.67 4982.35 5504.86 5644.74
0.472801
0.497335
0.498279
0.414242
-1161.125973
-1161.101440
-1161.100496
-1161.184533
2.818615D-04
MUNgauss
RevisionA2.0
retrievium
30-Jul-2020
DUDE Cc1ccc(cc1)C2=C(O[C@@H]([C@H]2C#N)c3c[nH]c4c3cccc4)NC(C)(C)C C39126597
RHF
6-31G(d)
(6D,10F)
C1
371.199763
|X|Y|Z|
87.069281 59.218698 35.344235
56.695353
20
|36.858105|
|12.608701|36.858105|
|7.532258|13.750272|36.858105|
|5.002486|7.889327|13.723352|36.858105|
|4.393390|6.742740|7.864937|13.696841|36.858105|
|5.011789|7.876393|6.907547|7.991677|13.634573|36.858105|
|7.549560|13.674099|8.007908|6.924491|7.879564|13.796978|36.858105|
|3.273718|4.421753|5.038885|7.623913|12.845283|7.571338|5.034383|36.858105|
|2.840675|3.650477|4.218267|5.979130|7.548911|5.266506|3.948280|14.265862|36.858105|
|2.389331|2.944216|3.298086|4.317707|5.170057|4.063204|3.183778|8.436213|14.173618|73.516695|
|2.340450|2.870924|3.143983|4.035802|4.968075|4.068136|3.164297|7.975803|8.426974|23.788529|36.858105|
|2.152248|2.590030|2.755872|3.395735|4.162979|3.655321|2.893100|6.037885|6.341803|16.750386|17.624070|0.500000|
|2.798422|3.573639|3.862614|5.126198|7.157281|5.729022|4.111843|12.563879|8.261800|14.268733|12.206074|0.241419|36.858105|
|2.813447|3.556676|3.879650|5.041918|6.428556|5.233307|3.976912|8.750995|6.184946|10.711655|8.695613|0.182717|17.578994|0.500000|
|2.701879|3.368725|3.396014|4.148445|5.765633|5.671221|4.101777|7.579279|5.667592|10.010795|7.582157|0.210670|12.861079|0.255714|36.858105|
|2.555628|3.093739|3.007495|3.490394|4.627671|4.989722|3.823326|5.403697|4.382193|7.799218|5.452009|0.164396|7.278695|0.170507|16.767312|53.358707|
|2.141317|2.565686|2.851877|3.566448|4.018125|3.319577|2.725519|5.567212|5.831076|14.177360|12.727238|0.248612|7.448830|0.205961|5.224601|5.610694|36.858105|
|2.053919|2.431291|2.764604|3.428694|3.621431|2.955299|2.501671|4.718208|5.283081|12.059336|7.474963|0.162112|5.315628|0.149807|3.926209|4.406438|14.124153|36.858105|
|1.872314|2.168144|2.436734|2.907429|3.000073|2.536586|2.209143|3.647158|3.859553|8.146057|5.172347|0.123881|4.142861|0.123208|3.292494|3.832608|8.548370|13.899833|53.358707|
|1.776411|2.031870|2.290132|2.685612|2.704276|2.304181|2.042527|3.182836|3.394258|6.927839|4.152556|0.101833|3.465004|0.102201|2.827105|3.351028|5.994021|9.052507|26.129570|0.500000|
|1.830020|2.110032|2.319736|2.729621|2.886371|2.509445|2.183666|3.478493|3.499889|7.327303|5.098526|0.128082|4.228599|0.130372|3.495961|4.114637|8.345245|8.530281|18.922102|0.250851|36.858105|
|1.971654|2.311603|2.514788|3.014529|3.338949|2.903544|2.453708|4.220329|4.129751|8.961433|7.253948|0.181941|5.706206|0.176427|4.625193|5.263803|13.166255|8.494605|11.600085|0.165619|13.606480|36.858105|
|1.905207|2.209559|2.337362|2.728998|3.070449|2.798036|2.384700|3.728485|3.497989|7.251442|5.747160|0.161433|5.157760|0.161015|4.768859|5.719353|7.264400|5.251410|7.297363|0.118681|7.888525|13.609417|36.858105|
|1.731664|1.967066|2.067386|2.350038|2.569772|2.384731|2.094530|2.975217|2.813765|5.649754|4.079833|0.114498|3.811241|0.118818|3.634355|4.572196|5.008021|4.172859|6.326211|0.109373|6.931071|7.969839|13.854665|36.858105|
|1.634426|1.839731|1.956793|2.209846|2.347851|2.152983|1.920140|2.680623|2.591532|5.171140|3.549181|0.096712|3.262804|0.101295|3.004538|3.756789|4.548051|4.185526|7.023956|0.126222|8.047372|6.868585|7.881226|13.573547|36.858105|
|1.671346|1.891314|2.049722|2.342691|2.449903|2.191533|1.949313|2.830256|2.801703|5.653610|3.799305|0.099903|3.366647|0.104069|2.953114|3.604849|5.260686|5.291252|10.338069|0.184846|13.669888|7.792242|6.745433|7.865494|13.854014|36.858105|
|2.827826|3.561988|4.207022|5.692181|6.146476|4.543793|3.675112|7.793961|13.921552|14.745729|5.406509|0.125899|5.211752|0.121255|4.099147|4.659918|4.365802|4.358550|4.551589|0.085240|2.961719|3.299491|2.833548|2.373822|2.241569|2.438470|53.358707|
|2.407479|2.891013|3.260795|4.002519|4.265613|3.530898|2.989541|5.099517|7.561681|11.724710|4.440548|0.112158|4.000975|0.094711|3.410411|4.060299|3.705304|3.764662|4.058633|0.077463|2.644897|2.894360|2.521707|2.148902|2.043596|2.216282|17.521819|36.858105|
|2.080180|2.441372|2.757123|3.326274|3.456455|2.890487|2.493631|4.190261|5.926251|11.214820|4.331746|0.110311|3.608645|0.088112|3.046976|3.642341|3.902447|4.228565|4.533753|0.087906|2.851194|3.029604|2.572795|2.208327|2.139682|2.368703|10.486646|12.430490|36.858105|
|2.447177|2.867441|3.237567|3.757200|3.747896|3.210498|2.865871|4.012772|5.136063|7.802912|3.332086|0.085226|3.179586|0.078367|2.797511|3.419495|2.921797|3.016317|3.413629|0.066702|2.239619|2.391912|2.123646|1.854798|1.783486|1.925388|10.829736|12.429998|7.640278|36.858105|
|2.284375|2.715536|2.914570|3.467880|3.926296|3.484694|2.923063|4.698680|6.315549|10.673059|4.321302|0.117483|3.908404|0.090202|3.587250|4.405665|3.439230|3.304285|3.642834|0.068832|2.464544|2.760191|2.484861|2.112725|1.973335|2.093619|10.380099|12.411301|7.546540|7.602542|36.858105|
|17.540090|8.840484|5.915785|4.312130|3.944807|4.573499|6.650245|3.029867|2.606688|3.979178|2.239015|0.057559|2.689377|0.076379|2.639881|3.440540|2.067687|1.970371|2.473452|0.047855|1.797920|1.936547|1.895661|1.737496|1.636128|1.658212|3.457374|2.179702|1.914096|2.182945|2.088756|0.500000|
|17.545123|8.836400|5.827556|4.271020|3.940342|4.610812|6.766357|3.027061|2.679238|4.032809|2.203086|0.056996|2.595400|0.071193|2.554774|3.341212|1.998544|1.914088|2.371921|0.045986|1.703994|1.838663|1.784081|1.623483|1.529513|1.559551|3.678093|2.353956|2.019046|2.424007|2.271481|0.302337|0.500000|
|17.576832|8.835611|7.221391|4.734746|3.933488|4.165620|5.567447|3.023960|2.691137|4.048270|2.211264|0.056249|2.586705|0.072712|2.448260|3.129053|2.057388|2.007016|2.506219|0.048961|1.783474|1.894820|1.814706|1.660204|1.584953|1.633170|3.718122|2.339907|2.044595|2.417705|2.180960|0.301845|0.301731|0.500000|
|6.967190|8.923022|17.698312|8.937699|5.623686|4.968565|5.668308|4.114930|3.649428|5.240584|2.795469|0.068441|3.290919|0.093035|2.892350|3.523648|2.614459|2.600171|3.172388|0.061790|2.197969|2.329583|2.154713|1.934054|1.858672|1.960467|5.119613|3.009176|2.608185|3.074010|2.648556|0.153512|0.149999|0.221069|0.500000|
|4.087087|5.634097|8.930750|17.706271|8.923250|5.664618|4.978142|7.062380|6.259511|8.131852|4.153277|0.094923|4.921079|0.136656|3.803664|4.325983|3.828668|3.853803|4.397787|0.083579|2.936505|3.170415|2.780712|2.397898|2.294892|2.486892|8.478218|4.260445|3.654312|3.984262|3.490898|0.100120|0.098853|0.112917|0.216781|0.500000|
|4.099579|5.630902|4.971202|5.663798|8.885478|17.730396|8.969406|6.977795|5.006204|7.245949|4.208205|0.109262|5.976267|0.145012|6.882355|8.719899|3.327729|2.882969|3.374361|0.062131|2.494938|2.943025|2.906067|2.457562|2.179241|2.186688|5.705167|3.401333|2.807406|3.027027|3.532964|0.107842|0.109118|0.096033|0.107809|0.124207|0.500000|
|7.011016|8.903650|5.672483|4.976747|5.627518|8.966969|17.691692|4.106221|3.344100|4.982992|2.818303|0.073411|3.570280|0.096039|3.754326|5.003501|2.443409|2.235860|2.723392|0.051559|1.999242|2.242006|2.219657|1.972193|1.801685|1.808515|4.259483|2.650244|2.239135|2.557353|2.659962|0.187321|0.193939|0.140524|0.124297|0.107917|0.217762|0.500000|
|2.085028|2.470185|2.855983|3.568131|3.666989|2.941693|2.506242|4.726431|5.730573|12.726412|6.460464|0.142105|4.800441|0.129950|3.584108|4.062204|8.711505|17.816521|12.192058|0.212373|5.878555|5.783165|4.086653|3.381544|3.407576|4.174566|6.874154|4.384782|5.204774|3.467312|3.631097|0.054911|0.054133|0.057036|0.075310|0.114777|0.078583|0.061832|0.500000|
|1.975515|2.303409|2.395629|2.793802|3.243784|3.027935|2.543105|3.960155|3.618282|7.425391|6.055069|0.182187|5.759463|0.173097|5.890754|7.211309|6.426676|4.547983|5.898984|0.098907|5.605094|8.818263|17.702455|8.947969|5.616369|4.884420|3.927375|2.566101|2.556797|2.152467|2.591005|0.054706|0.051631|0.051694|0.060540|0.077303|0.089750|0.066244|0.102948|0.500000|
|1.667990|1.876818|1.942961|2.174842|2.385208|2.266357|2.010760|2.703610|2.533871|4.996466|3.528363|0.101222|3.414600|0.104956|3.424242|4.474752|4.033736|3.409097|5.012729|0.089557|4.982625|5.655429|8.965758|17.721419|8.879725|5.629006|2.940051|1.970821|2.003546|1.718513|1.963064|0.046814|0.043620|0.044253|0.050463|0.060833|0.065524|0.053246|0.079554|0.216113|0.500000|
|1.523356|1.693558|1.788908|1.988493|2.093193|1.944429|1.759355|2.339843|2.262826|4.442049|2.960149|0.081319|2.776997|0.085320|2.611351|3.329299|3.620299|3.420825|5.629779|0.106442|5.690083|4.949785|5.634631|8.880579|17.715521|8.980080|2.711009|1.833257|1.915504|1.621945|1.776499|0.042553|0.039698|0.041148|0.047518|0.057125|0.054640|0.046211|0.080317|0.124054|0.215511|0.500000|
|1.579148|1.768819|1.922528|2.171567|2.229086|1.998196|1.801808|2.527243|2.528850|5.023875|3.232497|0.084901|2.897776|0.088454|2.555166|3.148701|4.293497|4.608713|9.124297|0.187764|8.827688|5.568504|4.884812|5.599565|8.902126|17.709228|3.071482|2.072497|2.235224|1.826874|1.942828|0.043498|0.040970|0.043189|0.051685|0.064476|0.054979|0.046524|0.106519|0.106347|0.123737|0.215079|0.500000|
|3.239608|4.180922|5.053527|6.895522|7.048584|5.145281|4.228667|7.425542|9.759324|10.779215|4.523171|0.107646|4.763679|0.113936|3.890882|4.501359|3.738083|3.700826|4.029888|0.076285|2.670069|2.952305|2.597336|2.207277|2.084443|2.243896|25.990167|9.177152|5.784774|7.928302|6.426766|0.078925|0.086107|0.086835|0.123212|0.200793|0.125819|0.097707|0.115574|0.073906|0.056375|0.051907|0.057999|0.500000|
|2.095135|2.448597|2.826075|3.406120|3.387485|2.789347|2.443716|3.995302|5.438941|9.861490|4.020267|0.099559|3.427658|0.086344|2.840784|3.382665|3.836004|4.396944|4.766040|0.094559|2.909118|3.001557|2.515211|2.182212|2.149588|2.416427|9.678585|8.814468|17.558842|6.975733|5.493705|0.053480|0.055992|0.057926|0.075684|0.107831|0.073797|0.060560|0.158185|0.068319|0.054709|0.053550|0.064088|0.155422|0.500000|
|1.905429|2.193884|2.433797|2.842538|2.940511|2.545288|2.239171|3.436808|4.520608|8.542449|3.581380|0.094792|3.043125|0.075245|2.670759|3.271422|3.277580|3.514629|3.944905|0.077658|2.524119|2.652218|2.301334|2.008619|1.954119|2.145240|7.606156|8.824850|17.545105|7.025271|6.863213|0.048846|0.051876|0.052146|0.064537|0.085170|0.069332|0.056689|0.115660|0.063681|0.051105|0.049104|0.056734|0.128161|0.300813|0.500000|
|2.005917|2.360128|2.640976|3.212616|3.435799|2.878865|2.446907|4.369784|6.230183|13.986895|5.186299|0.133435|3.977611|0.096019|3.322212|3.933750|4.668540|5.041133|5.203623|0.098750|3.252154|3.504360|2.918189|2.464584|2.375681|2.645243|9.288491|8.750319|17.630921|5.518840|6.874529|0.051835|0.053844|0.054392|0.068800|0.097312|0.078975|0.061282|0.172404|0.080232|0.061511|0.058440|0.068552|0.141068|0.300979|0.301568|0.500000|
|2.698557|3.171645|3.521832|3.988039|3.989583|3.510469|3.176044|4.047110|4.883367|7.120871|3.153479|0.081152|3.143661|0.077404|2.828748|3.492959|2.724781|2.746557|3.144811|0.061168|2.101874|2.264466|2.044303|1.789409|1.708032|1.823002|9.727193|8.752285|5.514681|17.529830|6.953459|0.065898|0.075343|0.073536|0.091787|0.112704|0.091234|0.078697|0.085369|0.058147|0.046409|0.043298|0.047924|0.230532|0.141562|0.142496|0.122737|0.500000|
|2.175223|2.487401|2.744770|3.096966|3.113988|2.756316|2.497362|3.337393|4.139200|6.716151|2.953067|0.077465|2.773210|0.068916|2.499089|3.108671|2.630492|2.722107|3.139843|0.061870|2.070455|2.193063|1.963656|1.732084|1.671964|1.799650|7.728151|8.805526|6.991512|17.574451|6.905863|0.054445|0.060383|0.059810|0.073153|0.090333|0.073541|0.063151|0.086136|0.055229|0.044784|0.042486|0.047696|0.152773|0.172423|0.212407|0.142229|0.301911|0.500000|
|2.475750|2.883007|3.354854|3.873600|3.658007|3.073729|2.793161|3.831576|4.791091|7.267847|3.171989|0.079694|3.045386|0.076915|2.630069|3.196740|2.882105|3.061837|3.495823|0.069207|2.259641|2.370036|2.084966|1.834448|1.784416|1.944933|9.910685|8.782564|6.954432|17.557563|5.507657|0.061171|0.067313|0.069184|0.090970|0.118934|0.078883|0.068688|0.099514|0.057998|0.047025|0.045149|0.051669|0.207417|0.209311|0.172944|0.141333|0.300489|0.301036|0.500000|
|2.196080|2.617797|2.788707|3.352959|3.923862|3.494038|2.867891|4.996762|6.738448|13.020896|5.187790|0.147572|4.419576|0.099134|4.100336|5.001326|3.926136|3.638248|3.950733|0.073391|2.704448|3.103118|2.794021|2.334343|2.152128|2.273343|9.252467|8.752749|6.863608|5.504482|17.592067|0.056521|0.060229|0.057877|0.069930|0.093472|0.101186|0.072868|0.108489|0.081804|0.060050|0.053391|0.057923|0.153544|0.140485|0.168917|0.204833|0.141226|0.141059|0.122820|0.500000|
|2.060005|2.388510|2.539255|2.928184|3.219044|2.932414|2.540484|3.708964|4.692910|8.309224|3.583020|0.099622|3.224726|0.076634|3.026254|3.811614|2.988030|2.922234|3.308632|0.063395|2.241754|2.466015|2.240039|1.937123|1.824687|1.932833|7.553638|8.792053|6.869771|6.949560|17.547856|0.052569|0.057339|0.055029|0.065250|0.082283|0.082741|0.065303|0.089063|0.064492|0.050283|0.046013|0.050273|0.136555|0.140390|0.204922|0.170064|0.172726|0.207647|0.141184|0.301732|0.500000|
|2.490967|2.980983|3.128368|3.666942|4.243741|3.910333|3.272253|4.810659|5.941307|9.209399|3.992574|0.108582|3.883180|0.089491|3.693446|4.611538|3.152521|2.975354|3.336519|0.063033|2.295812|2.585369|2.374990|2.028153|1.881046|1.972391|9.483924|8.773029|5.485745|6.924121|17.546147|0.062751|0.069681|0.065258|0.077739|0.098787|0.111129|0.083035|0.088932|0.069635|0.052844|0.047259|0.050799|0.185110|0.122957|0.140427|0.140291|0.208532|0.169879|0.141370|0.301045|0.301163|0.500000|
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