Version2.0
2020-01-13T13:14:21Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
30-Nov-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOc1ccccc1[C@@H]2C(=C(OC3=C2S(=O)(=O)N(c4c3cccc4)Cc5ccc(cc5)F)N)C#N C20558463
RHF
6-31G(d)
(6D,7F)
CCOc1ccccc1[C@@H]2C(=C(OC3=C2S(=O)(=O)N(c4c3cccc4)Cc5ccc(cc5)F)N)C#N
C01[X(C27H22F1N3O4S1)]
168
C1
588
CCOc1ccccc1[C@@H]1C(=C(N)OC2=C1S(=O)(=O)N(c1c2cccc1)Cc1ccc(cc1)F)C#N
CCOc1ccccc1[C@@H]1C(=C(N)OC2=C1S(=O)(=O)N(c1c2cccc1)Cc1ccc(cc1)F)C#N
CCOc1ccccc1[C@@H]2C(=C(N)OC3=C2[S](=O)(=O)N(Cc4ccc(F)cc4)c5ccccc35)C#N
InChIKey=WSEDYAJYMMTMEB-XMMPIXPASA-N
InChI=1S/C27H22FN3O4S/c1-2-34-23-10-6-4-8-20(23)24-21(15-29)27(30)35-25-19-7-3-5-9-22(19)31(36(32,33)26(24)25)16-17-11-13-18(28)14-12-17/h3-14,24H,2,16,30H2,1H3/t24-/m1/s1
InChI=1/C27H22FN3O4S/c1-2-34-23-10-6-4-8-20(23)24-21(15-29)27(30)35-25-19-7-3-5-9-22(19)31(36(32,33)26(24)25)16-17-11-13-18(28)14-12-17/h3-14,24H,2,16,30H2,1H3/t24-/m1/s1
CCOc1ccccc1[C@@H]2C(=C(OC3=C2S(=O)(=O)N(c4c3cccc4)Cc5ccc(cc5)F)N)C#N
C01[X(C27H22F1N3O4S1)]
168
C01
588
CCOc1ccccc1[C@@H]1C(=C(N)OC2=C1S(=O)(=O)N(c1c2cccc1)Cc1ccc(cc1)F)C#N
CCOc1ccccc1[C@@H]1C(=C(N)OC2=C1[S@@](=O)(O)N(c1c2cccc1)Cc1ccc(cc1)F)C#N
CCOc1ccccc1[C@@H]2C(=C(N)OC3=C2[S](O)(=O)N(Cc4ccc(F)cc4)c5ccccc35)C#N
InChIKey=JNEOBJCGEFWLMO-XMMPIXPASA-N
InChI=1S/C27H23FN3O4S/c1-2-34-23-10-6-4-8-20(23)24-21(15-29)27(30)35-25-19-7-3-5-9-22(19)31(36(32,33)26(24)25)16-17-11-13-18(28)14-12-17/h3-14,24H,2,16,30H2,1H3,(H,32,33)/t24-/m1/s1
InChI=1/C27H23FN3O4S/c1-2-34-23-10-6-4-8-20(23)24-21(15-29)27(30)35-25-19-7-3-5-9-22(19)31(36(32,33)26(24)25)16-17-11-13-18(28)14-12-17/h3-14,24H,2,16,30H2,1H3,(H,32,33)/t24-/m1/s1/f/h32H
4220.0281803670
-1994.8905532
1-A
15864.7704
131
457
588
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10.22051
-5.4717 -2.3692 -0.8382
6.0212
|XX|YY|ZZ|XY|XZ|YZ|
-228.4679 -184.3740 -222.2266 15.3947 -6.5239 13.2195
|XX|YY|ZZ|XY|XZ|YZ|
-16.7784 27.3155 -10.5371 15.3947 -6.5239 13.2195
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-264.6122 -82.2478 -23.0759 59.9020 0.7365 143.0334 -8.2280 27.7801 -48.2752 11.5713
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-12328.7755 -5666.1859 -3387.0574 453.9414 131.4417 100.0257 264.9667 78.8177 67.7294 -2768.5438 -2542.3312 -1549.5844 156.8455 -70.6062 2.0997
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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
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11.6008 15.0601 16.1837 32.3800 36.2970 50.3406 58.8572 63.7514 67.9786 93.2230 95.5865 110.5352 112.3095 127.4858 139.2527 168.9927 183.6179 191.3128 208.9750 216.4934 245.4497 253.6364 279.0552 286.1234 300.7793 306.6130 327.9310 342.1476 358.9051 373.9733 375.2802 388.4849 389.3819 404.2546 459.5624 462.9267 467.3789 475.6875 494.8562 514.6028 530.1182 544.7934 548.6634 558.7254 578.6069 588.8209 594.6704 601.4799 614.8060 617.0948 640.4632 657.5270 661.7913 684.3815 696.6264 712.5362 718.6389 738.5864 766.1711 781.6209 789.6579 825.0943 829.7382 841.4110 850.7953 853.1012 859.5034 880.1235 885.4362 902.6135 916.1641 920.2728 934.4512 944.3811 956.4396 974.2718 975.2964 1016.3952 1038.7623 1066.6953 1071.1472 1082.0281 1102.4402 1106.0259 1111.5423 1116.9209 1121.9406 1127.5075 1153.6956 1157.7900 1162.1051 1172.7472 1185.5748 1185.8416 1205.1366 1223.3135 1228.5870 1237.7827 1257.3762 1267.5733 1282.8338 1285.7647 1289.1912 1292.8875 1297.0791 1299.4223 1324.1755 1325.3689 1338.4496 1347.4915 1388.2130 1390.4485 1394.2587 1421.6853 1425.0308 1428.7812 1439.0199 1439.9921 1455.6506 1469.2740 1487.1761 1506.4446 1545.4111 1546.9141 1552.5960 1581.7579 1585.8902 1621.8470 1622.1534 1629.7249 1646.2096 1658.7341 1666.1888 1667.6619 1682.9512 1698.7623 1769.8671 1786.7043 1795.2623 1795.7376 1806.2633 1808.5483 1823.5109 1844.9427 1898.5174 2575.7475 3209.0891 3217.4956 3256.6258 3258.0368 3280.9389 3297.7610 3300.8532 3340.2210 3354.9254 3358.6905 3366.3375 3373.4048 3384.2049 3384.9734 3391.7752 3400.7534 3403.4247 3406.5958 3420.6268 3434.7012 3810.4605 3924.6004
7.8088 4.3144 5.7638 5.3210 6.4555 4.6429 6.3556 4.6189 6.8449 4.3953 2.3939 5.3491 5.5194 5.2375 5.5967 5.8734 6.5436 5.4045 6.7187 7.6914 4.5622 7.7890 1.5051 5.2249 3.5074 5.3867 6.6851 3.1757 5.7156 2.2541 2.1258 3.9502 3.6733 5.1954 4.3436 4.7043 3.1151 4.2353 4.7349 5.5115 5.1405 4.6559 4.6338 5.3580 1.5454 3.5730 3.8129 4.7777 9.0544 7.8955 6.5613 5.4334 6.1471 6.1283 7.0174 8.1303 5.8070 5.1734 4.9751 4.6583 6.5962 4.1334 4.5101 3.5916 1.5633 2.8175 1.6854 3.9868 4.2447 1.1278 4.1617 5.2627 1.2879 1.9174 2.3275 1.5667 1.5087 2.3779 6.0844 1.4275 1.4163 1.3701 1.5160 1.3158 2.4401 2.3996 1.3461 3.0129 2.3829 2.4771 3.5033 3.4302 3.7689 1.8194 2.6380 2.4099 2.5156 2.7664 2.2870 6.0917 1.1903 4.1411 2.3262 2.0831 2.4341 1.5071 2.6860 1.4810 1.6478 2.4728 3.3995 3.4476 2.4232 1.6749 2.3130 1.4934 1.5783 1.4481 11.6922 1.3925 1.6039 2.3556 1.2314 1.4461 3.6180 2.3829 1.3668 2.3094 2.2436 1.0408 1.0554 1.6184 1.4437 1.7208 1.3889 2.7132 5.8898 6.0476 5.9738 1.8815 5.3806 4.6986 5.7052 2.6606 8.3311 12.6880 1.0510 1.0452 1.0714 1.1069 1.1016 1.0855 1.1055 1.0954 1.0873 1.0910 1.0913 1.0891 1.0908 1.0967 1.0947 1.0953 1.0963 1.0940 1.0941 1.0929 1.0481 1.1028
0.0006 0.0006 0.0009 0.0033 0.0050 0.0069 0.0130 0.0111 0.0186 0.0225 0.0129 0.0385 0.0410 0.0502 0.0639 0.0988 0.1300 0.1165 0.1729 0.2124 0.1619 0.2952 0.0691 0.2520 0.1870 0.2984 0.4236 0.2190 0.4338 0.1857 0.1764 0.3513 0.3281 0.5002 0.5405 0.5940 0.4009 0.5646 0.6832 0.8599 0.8511 0.8142 0.8219 0.9855 0.3048 0.7299 0.7944 1.0184 2.0164 1.7715 1.5857 1.3841 1.5862 1.6912 2.0065 2.4320 1.7669 1.6628 1.7207 1.6768 2.4234 1.6579 1.8294 1.4982 0.6667 1.2081 0.7336 1.8195 1.9607 0.5414 2.0581 2.6260 0.6626 1.0075 1.2544 0.8762 0.8455 1.4473 3.8681 0.9570 0.9574 0.9451 1.0856 0.9484 1.7763 1.7638 0.9983 2.2567 1.8687 1.9564 2.7875 2.7796 3.1212 1.5074 2.2574 2.1248 2.2372 2.4972 2.1304 5.7668 1.1541 4.0336 2.2779 2.0516 2.4128 1.4994 2.7749 1.5328 1.7392 2.6454 3.8599 3.9272 2.7754 1.9945 2.7675 1.7962 1.9256 1.7692 14.5969 1.7711 2.0900 3.1496 1.7328 2.0388 5.1385 3.5126 2.0254 3.5790 3.4785 1.6288 1.6851 2.6235 2.3614 2.8196 2.3177 4.6131 10.8701 11.3746 11.3438 3.5746 10.3429 9.0549 11.1774 5.3358 17.6923 49.5962 6.3770 6.3752 6.6948 6.9227 6.9869 6.9555 7.0971 7.2008 7.2108 7.2513 7.2862 7.3020 7.3603 7.4034 7.4202 7.4630 7.4818 7.4798 7.5426 7.5963 8.9660 10.0075
0.1671 1.0501 0.8174 1.7084 2.1174 0.5385 0.4602 1.4049 2.7843 0.2249 1.7451 3.7185 0.8090 2.2469 2.4576 1.8073 1.4608 3.7493 2.5234 3.5120 0.6551 5.3552 1.1373 4.5827 0.9423 4.7467 0.4836 16.4026 1.4468 30.1266 40.3473 2.3571 5.2044 6.1509 1.5169 2.2296 0.1140 8.5193 5.5209 10.5565 11.8732 10.5613 30.8987 32.6882 219.5969 28.1675 3.3834 2.9439 22.9765 31.6126 65.8550 8.3603 2.9407 2.9962 1.8775 22.4695 1.1842 13.6187 5.1258 5.1708 54.3200 15.3589 16.3804 35.2828 54.4167 27.5453 35.0361 2.0871 11.7454 1.2151 26.4522 13.4861 9.7426 40.8734 93.4691 2.5898 3.3091 11.1829 2.8054 0.6074 2.7187 1.9524 1.2870 0.3625 0.8733 11.8301 0.6400 39.1323 1.8304 15.5230 34.2609 82.2882 27.5099 4.0734 8.2344 27.5860 9.8370 159.2261 56.8939 228.8984 6.8423 19.4529 45.4216 8.0749 5.9628 4.2674 19.3088 11.7074 19.7840 11.9788 130.8091 40.9010 134.0092 20.0294 245.5296 108.9242 60.4285 119.9127 271.6322 22.3241 68.1074 34.3297 6.0390 37.3701 257.9413 12.0741 60.9374 13.1445 40.7717 3.3624 2.0615 46.4628 24.6124 92.2831 26.3801 109.1453 24.8807 28.9740 24.9576 114.9596 53.5143 16.9260 54.8635 88.0362 550.5879 90.5149 31.6936 41.2296 29.7782 22.6765 44.6414 1.8085 45.3672 2.3187 3.6650 14.1044 17.9398 3.0499 5.6512 25.9202 23.6557 7.0209 3.0120 16.9175 9.9386 9.7327 80.4407 51.4019
0.7958 1.5923 1.5250 6.6610 4.5097 3.6887 2.7341 2.8901 0.9471 2.0155 1.3958 1.0704 1.9339 1.8058 4.1649 1.9524 2.2622 1.4170 1.0743 1.2421 1.8977 1.9740 0.3407 1.1921 1.6694 3.4809 2.0245 1.8100 2.3748 5.4588 6.5592 4.4562 0.2482 6.4396 0.4138 1.9133 0.0988 1.8378 0.4674 1.7948 1.6550 2.0866 1.7666 0.6423 3.4684 1.3327 2.3656 1.2538 0.8815 3.3413 2.7653 2.5482 3.8920 1.7497 6.6596 3.8754 0.5884 6.5572 3.2262 1.9045 3.4954 6.7150 1.2387 2.3195 2.1687 4.2258 0.9673 26.5436 8.7892 0.3818 4.5030 23.7907 2.2788 6.0649 0.2689 2.1352 1.3736 8.2008 2.3031 1.4759 1.0595 0.7396 2.0369 0.5199 1.1204 4.3070 0.1784 0.6185 19.7018 14.3649 5.5745 13.9359 5.6778 2.0434 21.7407 5.2357 16.6323 29.0717 1.7731 2.8330 9.8138 17.5874 2.4713 11.7853 1.7897 1.5599 8.8115 2.8824 1.7837 7.6587 33.0621 7.4038 12.9136 3.6477 67.8981 7.5762 7.0452 12.4023 2.2996 5.6980 11.4534 50.5483 1.9137 6.6414 10.6224 0.1128 7.2682 0.1926 0.1489 24.9960 17.7421 22.2602 21.0197 7.1715 5.6947 0.7554 76.2206 10.4851 6.6300 14.1159 40.6164 86.2557 18.7044 34.9018 274.7206 215.0927 27.9209 200.0085 57.0699 67.2515 86.3991 50.7775 25.5654 37.5713 30.6732 51.6536 65.2634 72.6896 58.0630 117.3959 203.8399 136.9120 112.4825 153.6710 89.9800 85.3476 112.6690 55.2650
0.6603 0.7476 0.7489 0.7477 0.7222 0.7309 0.7500 0.7437 0.7481 0.7500 0.6985 0.6338 0.7469 0.7474 0.7098 0.7246 0.7197 0.5579 0.5090 0.6248 0.3875 0.3707 0.6501 0.4329 0.6863 0.1914 0.2911 0.7348 0.7058 0.2791 0.4825 0.6361 0.5482 0.2796 0.3846 0.7331 0.4941 0.7416 0.7275 0.7483 0.4000 0.5592 0.7155 0.6840 0.6229 0.5866 0.5683 0.7125 0.5687 0.4435 0.2369 0.5304 0.7149 0.4898 0.6378 0.5210 0.5919 0.1132 0.2029 0.3148 0.7294 0.1225 0.2294 0.6939 0.5833 0.2712 0.4681 0.2177 0.0630 0.4534 0.6027 0.1234 0.4995 0.0885 0.6939 0.7494 0.7500 0.7478 0.4582 0.5768 0.7163 0.7446 0.3823 0.4744 0.5393 0.4431 0.6731 0.7301 0.0637 0.0998 0.7361 0.0956 0.5374 0.7486 0.3227 0.7070 0.4198 0.4660 0.4167 0.2593 0.5028 0.2566 0.6665 0.1406 0.5571 0.6951 0.4214 0.3134 0.7483 0.3490 0.1472 0.6270 0.0247 0.7489 0.2914 0.7296 0.4769 0.4960 0.3356 0.3673 0.7369 0.2728 0.2593 0.7058 0.5315 0.6015 0.5284 0.6002 0.4159 0.7042 0.6864 0.2205 0.5311 0.3034 0.6625 0.5963 0.3715 0.2267 0.7309 0.5685 0.7221 0.5408 0.6538 0.5827 0.2264 0.2896 0.7499 0.0433 0.1080 0.7491 0.7143 0.2165 0.7487 0.3223 0.6309 0.4573 0.7254 0.7052 0.6995 0.1877 0.3087 0.2833 0.1551 0.1719 0.1836 0.1594 0.1495 0.7137
0.7954 0.8555 0.8564 0.8556 0.8387 0.8445 0.8571 0.8530 0.8559 0.8571 0.8225 0.7759 0.8551 0.8555 0.8303 0.8403 0.8370 0.7162 0.6746 0.7691 0.5585 0.5409 0.7879 0.6042 0.8140 0.3213 0.4509 0.8471 0.8276 0.4364 0.6510 0.7776 0.7081 0.4370 0.5556 0.8460 0.6614 0.8517 0.8422 0.8560 0.5714 0.7173 0.8341 0.8124 0.7677 0.7395 0.7247 0.8321 0.7250 0.6145 0.3831 0.6931 0.8338 0.6576 0.7788 0.6851 0.7436 0.2034 0.3374 0.4788 0.8435 0.2182 0.3732 0.8193 0.7368 0.4267 0.6377 0.3576 0.1186 0.6239 0.7521 0.2196 0.6662 0.1626 0.8193 0.8568 0.8571 0.8557 0.6284 0.7316 0.8347 0.8536 0.5531 0.6435 0.7007 0.6141 0.8046 0.8440 0.1198 0.1815 0.8480 0.1745 0.6991 0.8562 0.4880 0.8284 0.5914 0.6358 0.5883 0.4119 0.6692 0.4083 0.7999 0.2465 0.7155 0.8201 0.5930 0.4772 0.8560 0.5174 0.2566 0.7707 0.0483 0.8564 0.4513 0.8437 0.6459 0.6631 0.5026 0.5372 0.8485 0.4286 0.4119 0.8276 0.6941 0.7512 0.6914 0.7501 0.5875 0.8264 0.8141 0.3613 0.6938 0.4655 0.7970 0.7471 0.5417 0.3696 0.8445 0.7249 0.8386 0.7020 0.7907 0.7363 0.3692 0.4492 0.8571 0.0830 0.1949 0.8565 0.8334 0.3559 0.8563 0.4875 0.7737 0.6276 0.8409 0.8271 0.8232 0.3160 0.4718 0.4415 0.2686 0.2934 0.3103 0.2750 0.2601 0.8329
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
6 6 8 6 6 6 6 6 6 6 1 6 6 8 6 6 16 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 9 7 6 7 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 14.00307 12.00000 14.00307 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
13049.7619 20298.1227 24577.0402
0.99919 0.04021 0.00042 -0.04021 0.99873 0.03043 0.00080 -0.03042 0.99954
1
0.00664 0.00427 0.00352
0.13830 0.08891 0.07343
16.69 21.67 23.28 46.59 52.22 72.43 84.68 91.72 97.81 134.13 137.53 159.04 161.59 183.42 200.35 243.14 264.19 275.26 300.67 311.49 353.15 364.93 401.50 411.67 432.75 441.15 471.82 492.27 516.38 538.06 539.94 558.94 560.23 581.63 661.21 666.05 672.45 684.41 711.99 740.40 762.72 783.84 789.40 803.88 832.49 847.18 855.60 865.40 884.57 887.86 921.48 946.03 952.17 984.67 1002.29 1025.18 1033.96 1062.66 1102.35 1124.58 1136.14 1187.13 1193.81 1210.60 1224.10 1227.42 1236.63 1266.30 1273.95 1298.66 1318.16 1324.07 1344.47 1358.75 1376.10 1401.76 1403.23 1462.37 1494.55 1534.74 1541.14 1556.80 1586.17 1591.32 1599.26 1607.00 1614.22 1622.23 1659.91 1665.80 1672.01 1687.32 1705.78 1706.16 1733.92 1760.08 1767.66 1780.89 1809.08 1823.76 1845.71 1849.93 1854.86 1860.18 1866.21 1869.58 1905.19 1906.91 1925.73 1938.74 1997.33 2000.55 2006.03 2045.49 2050.30 2055.70 2070.43 2071.83 2094.36 2113.96 2139.71 2167.44 2223.50 2225.66 2233.84 2275.80 2281.74 2333.48 2333.92 2344.81 2368.53 2386.55 2397.27 2399.39 2421.39 2444.14 2546.44 2570.67 2582.98 2583.67 2598.81 2602.10 2623.63 2654.46 2731.54 3705.93 4617.16 4629.26 4685.56 4687.59 4720.54 4744.74 4749.19 4805.83 4826.99 4832.41 4843.41 4853.58 4869.12 4870.22 4880.01 4892.93 4896.77 4901.33 4921.52 4941.77 5482.40 5646.62
0.479322
0.508406
0.509350
0.415485
-1994.411231
-1994.382148
-1994.381203
-1994.475068
3.148248D-04
MUNgauss
RevisionA2.0
retrievium
13-Jan-2020
DUDE CCOc1ccccc1[C@@H]2C(=C(OC3=C2S(=O)(=O)N(c4c3cccc4)Cc5ccc(cc5)F)N)C#N C20558463
RHF
6-31G(d)
(6D,10F)
C1
503.131506
|X|Y|Z|
92.385756 69.237295 50.356901
68.549039
27
|36.858105|
|12.577159|36.858105|
|8.076282|13.514491|73.516695|
|5.245697|7.961490|25.164270|36.858105|
|4.392534|6.664080|14.077309|13.715308|36.858105|
|3.342460|4.501641|9.265834|7.924559|13.756259|36.858105|
|2.986342|3.787423|8.201937|6.841378|7.928479|13.781765|36.858105|
|3.223383|3.996826|9.406987|7.959290|6.911661|7.990657|13.749655|36.858105|
|4.123218|5.262138|14.494716|13.633552|7.895093|6.845260|7.871493|13.751715|36.858105|
|4.074503|4.607626|12.172695|7.495482|4.989397|4.417377|4.984112|7.510843|12.454221|36.858105|
|5.024048|5.414815|14.984559|7.395906|4.808340|4.003648|4.191359|5.612364|8.962857|17.642319|0.500000|
|3.291352|3.587734|8.654426|5.238533|3.974502|3.737357|4.331318|6.165495|7.510237|12.547276|0.249265|36.858105|
|2.712728|2.904742|6.557819|3.996731|3.263901|3.220208|3.834133|5.219977|5.450127|7.592376|0.162684|14.231985|36.858105|
|2.554964|2.721564|5.980982|3.662689|3.052829|3.059936|3.679294|4.931669|4.937713|6.601691|0.142489|8.100189|14.154984|73.516695|
|2.829862|3.008699|6.625664|4.021806|3.276716|3.215260|3.796322|5.125861|5.431449|7.581006|0.163012|6.950808|8.151104|24.904308|36.858105|
|3.507119|3.793541|8.810282|5.310761|4.009905|3.745180|4.302195|6.062784|7.513723|12.559351|0.249258|7.827428|6.997970|14.471170|14.378061|36.858105|
|3.804803|3.965223|8.418630|4.719238|3.736106|3.393491|3.633452|4.521936|5.478186|6.754559|0.182216|4.692140|4.281890|8.644643|7.248915|10.868086|388.023441|
|3.717152|3.570508|7.249563|3.794088|3.071806|2.771697|2.905552|3.495613|4.183974|5.345461|0.159134|4.151246|3.860356|7.622252|5.876326|7.336213|94.812964|73.516695|
|4.621131|5.096850|10.487469|5.833837|4.603768|3.974114|4.014941|4.763419|6.000526|6.170010|0.175095|4.171743|3.635413|6.877976|5.090424|7.284146|94.783908|13.800723|73.516695|
|2.924121|3.091194|6.260938|3.715111|3.199251|3.099379|3.416584|4.068932|4.323622|4.790164|0.121254|3.787403|3.764359|8.169327|6.754210|7.279731|81.808647|13.342057|13.627898|53.358707|
|2.499572|2.605747|5.289001|3.137560|2.736400|2.710859|3.055829|3.647249|3.728496|4.281485|0.106551|3.709988|3.967255|9.306557|7.684668|6.468898|51.736125|10.868782|9.002653|18.428838|36.858105|
|2.464880|2.574869|5.378985|3.213492|2.752751|2.741106|3.169989|3.939282|3.997697|4.893923|0.116794|4.542702|5.273826|14.342868|12.996660|7.680038|45.335679|9.902625|7.958047|10.685746|13.591290|36.858105|
|2.115241|2.186574|4.481587|2.656768|2.335203|2.353260|2.706394|3.245282|3.214014|3.815902|0.093626|3.851406|4.713418|12.380338|7.662212|5.129574|31.196655|7.422068|6.000685|7.010316|7.886116|13.668272|36.858105|
|1.897596|1.947640|3.890793|2.289937|2.059493|2.083624|2.354739|2.716830|2.674552|3.044965|0.076922|3.018695|3.518040|8.254629|5.075031|3.901073|26.193961|6.395764|5.245813|6.170716|6.815298|7.899053|13.833854|36.858105|
|1.914180|1.962390|3.860568|2.265293|2.055477|2.073663|2.311670|2.621531|2.594427|2.884873|0.073877|2.738727|3.046405|6.869353|4.497389|3.719649|27.309313|6.637818|5.519788|7.007907|7.919832|6.876075|7.993935|13.738893|36.858105|
|2.157134|2.223164|4.378323|2.573473|2.316471|2.317651|2.572464|2.937732|2.946519|3.262590|0.083508|2.947016|3.172481|7.128536|5.082910|4.397714|35.214508|8.217125|6.903205|10.623780|13.694614|7.916583|6.891980|7.919034|13.803753|36.858105|
|2.762672|2.931071|5.635864|3.338011|3.028676|2.958461|3.152562|3.506561|3.635627|3.719708|0.097340|3.015659|2.958571|6.107902|4.482295|4.846660|50.446981|9.708021|11.832445|17.629450|7.565270|5.053804|3.874830|3.704212|4.422914|6.487292|36.858105|
|2.422061|2.637995|5.055601|3.114829|2.960113|3.037356|3.299198|3.517255|3.406355|3.301247|0.084189|2.771591|2.764960|5.694789|3.952975|4.080091|35.299696|6.966130|8.782280|10.438408|6.024164|4.434965|3.598238|3.518021|4.176404|5.674612|12.578250|36.858105|
|2.087821|2.237683|4.202870|2.548689|2.469023|2.549548|2.733684|2.842178|2.736685|2.672248|0.069194|2.329051|2.353961|4.800834|3.190680|3.193439|26.602527|5.683135|6.566882|7.159657|4.752941|3.652706|3.179555|3.281219|4.013053|5.124582|7.551355|13.749554|36.858105|
|1.884647|2.038037|3.812041|2.339513|2.324687|2.462325|2.647847|2.668804|2.499272|2.389958|0.061604|2.129713|2.163845|4.353897|2.785861|2.759360|21.710781|4.689562|5.444451|5.414731|3.757552|3.111160|2.809393|2.908170|3.418768|4.011360|5.005850|7.884807|13.726861|36.858105|
|1.913783|2.112092|3.983452|2.507321|2.542896|2.782164|3.040445|2.979083|2.693246|2.497470|0.063461|2.231654|2.261903|4.511303|2.839802|2.824761|21.335764|4.506256|5.447982|5.137738|3.540066|3.063836|2.754528|2.766101|3.106817|3.569092|4.457694|6.902909|8.027876|13.859872|36.858105|
|2.156545|2.434212|4.677183|3.035922|3.089338|3.460026|3.892081|3.786132|3.318049|2.979607|0.074222|2.606457|2.613967|5.215229|3.325275|3.370644|24.977800|5.047173|6.496594|5.982661|3.957747|3.467747|3.002935|2.893428|3.167195|3.719254|5.015512|7.896442|6.883171|7.904432|13.796415|36.858105|
|2.471892|2.789831|5.442611|3.524527|3.439472|3.696940|4.155576|4.308440|3.922266|3.572543|0.088426|2.988823|2.960664|6.017160|4.069369|4.251040|33.275907|6.338988|8.675260|8.607383|5.159279|4.255573|3.460067|3.255295|3.618651|4.546908|7.551144|13.680871|7.969166|6.866896|8.015357|13.792531|36.858105|
|1.721632|1.897098|3.552383|2.230937|2.299894|2.547561|2.764174|2.645721|2.372785|2.191567|0.055970|2.001559|2.035361|3.995599|2.441485|2.413789|17.778951|3.841390|4.545136|4.090020|2.888173|2.597338|2.404689|2.428155|2.664912|2.932297|3.399931|4.658492|5.310886|8.171867|14.327522|8.161525|5.311574|97.533100|
|2.329579|2.467917|5.361556|3.231740|2.770895|2.784540|3.270936|4.119001|4.093838|5.012817|0.118256|7.877336|14.012030|15.258342|5.455806|4.685512|23.440286|5.477414|5.132035|4.122786|3.254099|4.191143|4.134080|3.219239|2.739364|2.748285|2.481436|2.369499|2.075658|1.943274|2.033396|2.304071|2.526969|4.197673|53.358707|
|3.269608|3.534852|8.338562|4.832586|3.810805|3.527382|3.889592|5.008429|5.956304|7.488152|0.193538|13.319423|8.026849|9.319027|4.577210|5.053127|25.749653|5.962131|6.075066|4.064570|2.907726|3.398925|3.033231|2.488751|2.279494|2.416178|2.500873|2.328391|2.002495|1.858475|1.950333|2.244305|2.504552|4.006019|9.124126|36.858105|
|3.105968|3.313995|7.451274|4.198547|3.485355|3.221923|3.430191|4.111388|4.710390|5.322156|0.147367|7.416486|5.611410|7.197136|3.598131|3.904692|21.510199|5.092435|5.201198|3.464867|2.479113|2.830740|2.589204|2.181384|2.011006|2.112762|2.191195|2.057014|1.796530|1.682570|1.764772|2.007479|2.203744|3.666101|7.306015|16.729147|53.358707|
|17.549748|8.880183|10.244678|4.243219|3.831532|3.005326|2.661369|2.793325|3.411335|3.322272|0.108670|2.773342|2.350712|3.978618|2.461148|2.961327|23.157021|5.717585|6.967219|3.557992|2.251429|2.196405|1.910466|1.739145|1.766621|1.981663|2.538506|2.250361|1.971771|1.791342|1.811846|2.016772|2.281091|3.693000|2.799671|2.769473|3.637513|0.500000|
|17.584751|8.877592|12.923353|4.971403|4.038974|3.173607|2.924316|3.231699|4.157346|4.330996|0.151454|3.401332|2.829811|4.832168|3.092589|3.899257|32.043132|8.097525|9.811092|4.513812|2.785869|2.710861|2.294860|2.056443|2.089342|2.383682|3.107385|2.634827|2.251991|1.998579|2.004767|2.254554|2.633060|4.013818|3.262318|3.251619|4.102142|0.300202|0.500000|
|17.572720|8.862694|12.974613|4.832241|4.004639|3.117308|2.835482|3.094409|3.949095|4.043874|0.141496|3.410175|2.779615|4.548324|2.769846|3.380651|24.784202|6.197000|7.068311|3.672944|2.368985|2.388240|2.075957|1.852878|1.844791|2.049410|2.501924|2.212098|1.922682|1.747259|1.777224|1.994172|2.262827|3.623454|3.281695|3.527950|4.672371|0.300555|0.300465|0.500000|
|8.842623|17.570969|16.560235|7.314394|6.827668|4.697983|3.873209|3.966982|4.997022|4.250384|0.131753|3.277783|2.732950|4.680824|2.963010|3.717701|29.151591|6.378691|10.039908|4.456314|2.691913|2.591555|2.186050|1.966487|2.010678|2.306985|3.215229|2.901283|2.443127|2.216183|2.297314|2.660514|3.073578|4.607446|3.162519|3.125414|3.944803|0.211725|0.213020|0.173359|0.500000|
|8.853179|17.549727|16.519508|6.849000|6.650683|4.512967|3.663593|3.706410|4.622110|3.956921|0.124301|3.269848|2.676919|4.405830|2.666292|3.247205|23.300128|5.302610|7.133824|3.633414|2.304941|2.299004|1.989232|1.782356|1.786511|1.996191|2.553392|2.359879|2.035672|1.885650|1.969931|2.256317|2.520966|4.039576|3.168796|3.351615|4.423076|0.213202|0.173593|0.211896|0.300470|0.500000|
|4.655739|7.369866|12.660500|8.897820|17.762081|8.948428|5.654076|4.975640|5.623969|4.069852|0.114122|3.349737|2.800168|4.676366|2.815974|3.383566|23.427885|4.986441|7.257628|3.867371|2.440312|2.426443|2.087863|1.868395|1.876831|2.105836|2.757966|2.685289|2.286125|2.161782|2.341197|2.775340|3.043536|4.814295|3.307425|3.305748|4.248167|0.117001|0.113834|0.115785|0.215750|0.230620|0.500000|
|2.981382|3.902572|7.479205|5.647777|8.951464|17.713684|8.916756|5.662896|4.937363|3.535693|0.091064|3.102713|2.749898|4.687652|2.746338|3.108471|20.616906|4.314213|5.977677|3.701700|2.407833|2.411397|2.109820|1.899735|1.900853|2.106886|2.665831|2.788590|2.401669|2.366603|2.695924|3.289745|3.371962|5.682141|3.327258|2.988744|3.811676|0.076639|0.078111|0.077338|0.114785|0.112331|0.216991|0.500000|
|2.557739|3.130803|6.508296|4.936136|5.636372|8.897492|17.724137|8.902691|5.619223|4.074195|0.096321|3.751631|3.506898|6.103682|3.458654|3.713046|22.592805|4.609481|6.057975|4.257435|2.879614|2.990029|2.619027|2.308686|2.261760|2.480274|2.931837|3.176565|2.695442|2.684280|3.160078|4.042805|4.057961|6.621139|4.226577|3.404373|4.159773|0.064449|0.069899|0.067917|0.089320|0.085107|0.124226|0.213977|0.500000|
|2.827933|3.339402|7.591437|5.656010|4.970884|5.674627|8.949640|17.702479|8.952963|7.005523|0.141237|6.560005|6.230835|10.881296|5.974729|6.324182|31.322352|6.135395|7.624732|5.682490|3.955289|4.491193|3.728729|3.044816|2.869029|3.163416|3.490385|3.549244|2.890838|2.726360|3.045665|3.847060|4.327502|6.093943|6.606463|5.007437|5.492073|0.068787|0.079958|0.076369|0.091868|0.086227|0.107889|0.124463|0.215747|0.500000|
|2.050477|2.118738|4.370738|2.590337|2.275501|2.298439|2.655539|3.196958|3.151165|3.780181|0.092409|4.081576|5.337286|14.184837|7.099099|4.775023|27.374809|6.592763|5.429596|5.692793|5.632597|8.939252|17.773768|8.961453|5.673709|4.966303|3.254484|3.067035|2.734870|2.477728|2.472649|2.702411|3.039223|4.957831|6.718880|3.236076|3.757988|0.051365|0.061152|0.056618|0.058111|0.054032|0.056492|0.057272|0.071673|0.103443|0.500000|
|1.729432|1.768355|3.506445|2.056545|1.868056|1.896252|2.131746|2.424063|2.374409|2.674452|0.068209|2.716935|3.179569|7.159069|4.127264|3.274925|21.820969|5.407661|4.509082|4.914535|4.923461|5.628675|8.939655|17.736556|8.890343|5.637123|3.076931|2.978213|2.850756|2.599606|2.486066|2.561953|2.798312|5.027550|4.126895|2.297042|2.779107|0.044295|0.051651|0.047213|0.049384|0.045368|0.047393|0.048439|0.058568|0.075245|0.215668|0.500000|
|1.751303|1.787411|3.465693|2.023992|1.861875|1.882046|2.074478|2.304775|2.275083|2.485303|0.064481|2.372492|2.607475|5.665532|3.587188|3.085139|22.974926|5.670066|4.824637|5.686001|5.648591|4.954084|5.669883|8.908939|17.722934|8.977110|3.865634|3.752846|3.828189|3.337210|2.966895|2.920217|3.231838|5.827736|3.258990|2.020430|2.459585|0.045340|0.052849|0.046889|0.051004|0.045509|0.047692|0.048461|0.056797|0.069286|0.124497|0.214075|0.500000|
|2.113062|2.171490|4.189831|2.448423|2.237082|2.232824|2.433590|2.711981|2.728286|2.940324|0.076626|2.621513|2.751039|5.929466|4.126858|3.812918|32.381750|7.618733|6.721951|9.674718|8.897457|5.632604|4.968658|5.657109|8.989349|17.801540|7.291644|6.352953|6.200127|4.535247|3.795290|3.806505|4.639915|6.913850|3.275429|2.195011|2.643414|0.054514|0.064955|0.055242|0.063397|0.054187|0.057128|0.056957|0.065275|0.079319|0.107865|0.124426|0.218205|0.500000|
|2.542691|2.622028|4.946275|2.856406|2.609249|2.538110|2.675009|2.943257|3.063859|3.201907|0.085632|2.682327|2.661756|5.472189|3.904228|4.077036|41.059089|9.124725|9.342250|12.321908|6.823122|4.573371|3.698683|3.706767|4.637639|6.877979|17.596678|8.849302|7.273928|4.756669|3.992816|4.173688|5.575295|7.051991|3.099466|2.263228|2.729806|0.065792|0.079743|0.064436|0.079097|0.064013|0.067198|0.064477|0.069900|0.081996|0.085931|0.086166|0.116213|0.247758|0.500000|
|3.135186|3.346319|6.287033|3.667702|3.331578|3.163302|3.254551|3.567544|3.822440|3.806844|0.102431|2.997547|2.845310|5.664197|4.078544|4.709110|52.028936|9.877136|14.957406|12.615369|5.668321|4.254435|3.322092|3.125496|3.576626|4.822519|17.679563|8.934698|6.016550|4.364853|4.034101|4.612358|6.691916|7.114667|3.241248|2.523990|3.027152|0.080170|0.099111|0.076931|0.105095|0.079537|0.085217|0.079016|0.082374|0.094923|0.080110|0.073925|0.088653|0.145742|0.304753|0.500000|
|2.012675|2.115073|3.934863|2.335279|2.242950|2.277342|2.412513|2.527803|2.485488|2.480618|0.065252|2.178683|2.205382|4.485648|2.974497|2.965233|25.229163|5.637480|6.120912|6.664985|4.549735|3.461121|3.071567|3.257493|4.113513|5.242744|6.992293|8.914111|17.700468|8.954704|5.695012|4.956015|5.652488|9.624155|2.664092|1.886143|2.314540|0.053118|0.060732|0.051596|0.063816|0.053402|0.058309|0.059707|0.065663|0.071339|0.073143|0.079090|0.112694|0.192379|0.223309|0.156132|0.500000|
|1.717644|1.838623|3.409124|2.068646|2.061855|2.173975|2.315252|2.323937|2.190984|2.112503|0.054956|1.910339|1.947693|3.888437|2.447205|2.408464|18.812266|4.180701|4.695801|4.545268|3.237213|2.735699|2.539063|2.679952|3.148060|3.552114|4.073680|5.609885|8.838896|17.742773|8.968580|5.643657|4.951032|16.703494|2.413044|1.686963|2.095930|0.045686|0.050439|0.044449|0.055223|0.047589|0.053828|0.058608|0.065470|0.065987|0.062790|0.067854|0.088143|0.112229|0.112789|0.100852|0.214096|0.500000|
|2.123114|2.432307|4.694894|3.115720|3.264726|3.830402|4.402530|4.055822|3.402197|2.958499|0.073145|2.624912|2.622289|5.126506|3.169973|3.223204|22.852781|4.646085|6.009799|5.156473|3.464792|3.189042|2.800188|2.657151|2.816793|3.205592|4.080100|5.613763|4.959498|5.647413|8.952531|17.742328|8.869448|16.708657|3.174989|2.286290|2.796914|0.055131|0.060771|0.054835|0.073400|0.063507|0.080859|0.102944|0.133484|0.114035|0.071658|0.066286|0.072215|0.089026|0.095830|0.107911|0.107615|0.124622|0.500000|
|2.780472|3.222502|6.485122|4.374203|4.193602|4.523488|5.240488|5.610818|5.025535|4.368144|0.105238|3.503061|3.386494|6.807752|4.687895|5.166343|38.945618|6.970128|10.548608|9.226029|5.247347|4.551809|3.567720|3.212207|3.438927|4.275597|7.008469|8.900220|5.658486|4.949469|5.685632|8.962916|17.724730|9.621231|3.828525|2.879624|3.398410|0.070057|0.082079|0.070453|0.098666|0.079983|0.099401|0.109768|0.135860|0.151910|0.088331|0.076539|0.083820|0.116098|0.140599|0.186927|0.124143|0.107503|0.214243|0.500000|
|2.324769|2.451646|5.301486|3.148926|2.715980|2.702370|3.103206|3.805266|3.857165|4.603603|0.113337|7.239301|9.457088|10.832618|4.420525|4.063982|21.189148|5.023566|4.761550|3.666831|2.828949|3.493135|3.424794|2.770557|2.407904|2.425249|2.253693|2.150487|1.897239|1.784855|1.867945|2.105667|2.291142|3.886157|26.018063|7.579524|8.854800|0.057090|0.065607|0.067835|0.063299|0.065057|0.066827|0.066320|0.081527|0.119080|0.110194|0.073247|0.059335|0.059964|0.057750|0.060889|0.049882|0.045474|0.059527|0.070692|0.500000|
|2.139622|2.235405|4.750300|2.826069|2.457836|2.475195|2.876005|3.522510|3.487977|4.231509|0.102630|5.907211|9.499616|14.359807|5.189854|4.243138|22.135859|5.288448|4.773656|4.004021|3.265073|4.277591|4.511791|3.498945|2.885179|2.814314|2.413793|2.305771|2.045266|1.915052|1.985314|2.217602|2.420857|4.107495|26.028176|5.081663|5.850534|0.052977|0.061624|0.061264|0.058998|0.058490|0.060617|0.061176|0.076946|0.114565|0.159201|0.093367|0.070075|0.067836|0.062343|0.063581|0.053974|0.048824|0.061824|0.073489|0.314952|0.500000|
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