Version2.4 2021-04-30T16:02:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 11-Jan-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](C1CC[NH+](CC1)C)[NH2+][C@H]2CCCc3c2ccs3 C61359978 RHF 6-31G(d) (6D,7F) C[C@H](C1CC[NH+](CC1)C)[NH2+][C@H]2CCCc3c2ccs3 C01[X(C16H28N2S1)] 135 C1 345 C[NH+]1CCC(CC1)[C@H]([NH2+][C@H]1CCCc2c1ccs2)C C[NH+]1CCC(CC1)[C@H]([NH2+][C@H]1CCCc2c1ccs2)C C[C@@H]([NH2+][C@H]1CCCc2sccc12)C3CC[NH+](C)CC3 InChIKey=QQRPJSOVMIHUON-DOMZBBRYSA-P InChI=1S/C16H26N2S/c1-12(13-6-9-18(2)10-7-13)17-15-4-3-5-16-14(15)8-11-19-16/h8,11-13,15,17H,3-7,9-10H2,1-2H3/p+2/t12-,15+/m1/s1 InChI=1/C16H26N2S/c1-12(13-6-9-18(2)10-7-13)17-15-4-3-5-16-14(15)8-11-19-16/h8,11-13,15,17H,3-7,9-10H2,1-2H3/p+2/t12-,15+/m1/s1/fC16H28N2S/h17-18H/q+2 C[C@H](C1CC[NH+](CC1)C)[NH2+][C@H]2CCCc3c2ccs3 C01[X(C16H28N2S1)] 135 C01 345 C[NH+]1CCC(CC1)[C@H]([NH2+][C@H]1CCCc2c1ccs2)C C[NH]1CCC(CC1)[C@H]([NH2][C@H]1CCC[C]2=[C]1[CH]=[CH][S]2)C C[C@@H]([NH2][C@H]1CCCc2sccc12)C3CC[NH](C)CC3 InChIKey=GAVUQNBMDQZJDS-DOMZBBRYSA-N InChI=1S/C16H28N2S/c1-12(13-6-9-18(2)10-7-13)17-15-4-3-5-16-14(15)8-11-19-16/h8,11-13,15,18H,3-7,9-10,17H2,1-2H3/t12-,15+/m1/s1 InChI=1/C16H28N2S/c1-12(13-6-9-18(2)10-7-13)17-15-4-3-5-16-14(15)8-11-19-16/h8,11-13,15,18H,3-7,9-10,17H2,1-2H3/t12-,15+/m1/s1 1650.0030278296 -1128.0970744 1-A 8422.6274 76 269 345 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.15235 -15.96206 -15.94096 -11.55785 -11.55699 -11.55262 -11.53633 -11.53464 -11.52199 -11.51504 -11.50410 -11.46285 -11.46153 -11.45548 -11.44696 -11.44287 -11.43126 -11.42551 -11.42390 -9.16253 -6.84490 -6.84388 -6.84232 -1.60445 -1.57165 -1.39569 -1.38158 -1.32589 -1.31499 -1.29399 -1.23791 -1.23472 -1.19440 -1.17871 -1.15985 -1.15827 -1.12381 -1.08390 -1.07225 -1.03421 -1.01585 -0.99543 -0.96553 -0.96233 -0.94225 -0.94029 -0.91181 -0.90447 -0.88765 -0.88554 -0.87291 -0.85724 -0.84231 -0.83631 -0.82738 -0.82405 -0.81634 -0.81416 -0.79632 -0.79600 -0.78461 -0.77588 -0.77037 -0.76531 -0.76209 -0.74948 -0.73756 -0.73083 -0.72673 -0.70117 -0.68165 -0.68062 -0.67320 -0.64710 -0.53187 -0.51242 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -0.08172 -0.07289 -0.05030 -0.03865 -0.02450 -0.01855 -0.00580 0.00165 0.00961 0.01195 0.01428 0.02347 0.02912 0.03763 0.04237 0.04932 0.05208 0.06343 0.06491 0.06956 0.07351 0.08142 0.08424 0.09079 0.09378 0.09804 0.09955 0.10858 0.11560 0.12057 0.12298 0.12918 0.13759 0.14092 0.14724 0.14938 0.15268 0.15885 0.17144 0.18321 0.18868 0.19476 0.20395 0.21346 0.22454 0.23655 0.24648 0.26657 0.29946 0.31428 0.32633 0.37232 0.40343 0.41279 0.42432 0.43147 0.44774 0.45032 0.46116 0.46592 0.46783 0.48462 0.49145 0.49976 0.53371 0.54516 0.55174 0.56126 0.57364 0.58682 0.59248 0.60509 0.61309 0.62340 0.63277 0.66054 0.66231 0.66908 0.68054 0.68400 0.68727 0.70275 0.70880 0.71406 0.73134 0.73980 0.74579 0.75054 0.75514 0.78953 0.79276 0.80283 0.81181 0.82386 0.83191 0.84619 0.85576 0.86167 0.86811 0.87376 0.87728 0.88133 0.88255 0.88900 0.89880 0.90131 0.90845 0.91734 0.91975 0.92677 0.92768 0.93072 0.93683 0.94193 0.94334 0.95380 0.95622 0.96496 0.96988 0.97156 0.97844 0.98926 0.99308 0.99573 1.01297 1.01393 1.01834 1.03447 1.04612 1.05514 1.05805 1.07170 1.09132 1.10684 1.11587 1.13707 1.15227 1.16094 1.16881 1.19044 1.22214 1.22638 1.25252 1.27643 1.29468 1.32556 1.32954 1.35172 1.35540 1.38593 1.40146 1.41907 1.42236 1.44045 1.49865 1.50767 1.53532 1.55061 1.56740 1.58665 1.62016 1.62283 1.66656 1.68049 1.70215 1.72761 1.74279 1.75172 1.75928 1.79077 1.80600 1.83227 1.84825 1.85916 1.87151 1.88568 1.89754 1.90954 1.91730 1.92765 1.94030 1.95327 1.97703 1.98012 2.00019 2.00682 2.02402 2.03047 2.04148 2.04982 2.05218 2.06659 2.07569 2.08606 2.09006 2.09506 2.10061 2.11731 2.13185 2.14695 2.16736 2.18510 2.19883 2.21394 2.24494 2.26306 2.29105 2.29887 2.30206 2.33219 2.34141 2.35585 2.36511 2.38873 2.41219 2.41906 2.43123 2.43857 2.46816 2.47828 2.48030 2.49886 2.51801 2.53455 2.54433 2.56217 2.57268 2.58791 2.60666 2.62344 2.63370 2.63644 2.64980 2.70144 2.71148 2.71870 2.75241 2.78944 2.80087 2.81733 2.82689 2.87316 2.88106 2.90399 2.93576 2.93923 2.95156 3.00426 3.21925 3.28309 4.07396 4.15010 4.19079 4.35122 4.36156 4.38366 4.40917 4.42486 4.44853 4.47386 4.51778 4.59368 4.60123 4.64375 4.69372 4.70788 4.76585 4.81601 4.88908 11.71985 19.7381 1.6110 1.4786 19.8588 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777.5828 819.3284 826.7676 846.7244 869.4706 893.1869 900.3802 922.8624 935.9272 950.6150 966.9264 985.6543 992.4714 998.9146 1021.4417 1037.2819 1041.5480 1058.8326 1101.3941 1121.3168 1124.0914 1137.9402 1147.0858 1160.0705 1170.4542 1191.6501 1207.0473 1216.5804 1231.8776 1244.7524 1250.3691 1253.7521 1281.1665 1306.9000 1321.5358 1330.9752 1358.8352 1389.0994 1403.0509 1407.5130 1427.2054 1437.6781 1468.7088 1475.5870 1483.0778 1488.6111 1507.5070 1520.1694 1522.1952 1529.3675 1535.7892 1537.3118 1541.5758 1547.4799 1568.4057 1580.5795 1584.8889 1588.3787 1592.1557 1600.0230 1611.9194 1622.4863 1626.6023 1629.3443 1632.3209 1637.5049 1640.5786 1642.0284 1642.9774 1644.3283 1650.4985 1653.4602 1657.2597 1756.0136 1812.5198 3184.3510 3208.9390 3214.5330 3216.0523 3220.8262 3232.9929 3235.5165 3237.8476 3255.5076 3263.6961 3268.7527 3272.3221 3277.3276 3277.7254 3290.8747 3303.4925 3310.4046 3322.8012 3334.9895 3337.4882 3354.1377 3357.5093 3370.4097 3371.6858 3449.1708 3678.8307 3687.2407 3761.5973 3.6844 3.4145 4.4026 3.1966 3.2729 3.8251 2.8439 4.3014 2.0382 1.2320 2.6277 1.6874 2.3320 1.7574 2.0729 2.2484 2.1965 4.2235 3.3695 2.0362 2.5404 3.4097 2.1486 2.8909 2.8135 2.7225 4.2281 3.1858 3.3473 3.3481 2.9417 2.6397 2.8970 2.8230 1.6506 3.5723 1.5418 2.2814 3.1773 2.1044 2.7270 2.8520 1.7546 2.0759 1.7913 2.0118 1.3017 2.6978 1.5259 2.3574 2.2729 2.5405 2.2482 1.6744 1.8843 2.2043 2.0111 2.0253 1.6696 1.8389 1.6124 1.5268 1.5726 1.5491 1.4227 1.8663 1.5368 1.4955 1.5213 1.3088 1.2714 1.2513 1.1847 1.1696 1.2728 1.2398 1.2613 1.4443 1.3304 1.3900 1.4252 1.4051 1.2408 1.3706 1.4584 1.2924 1.5708 1.3347 1.2672 1.2243 1.5733 1.3140 1.2336 1.0676 1.2358 1.0858 1.0789 1.0837 1.1798 1.1047 1.0869 2.5297 1.1185 1.0772 1.0940 6.4323 1.0778 1.0856 1.0673 1.0702 1.0708 1.0620 1.0682 1.0464 1.0883 1.0976 1.0334 1.1015 1.0631 1.0955 1.0622 1.1038 1.0925 1.0921 1.0954 1.1105 1.1119 1.1007 1.0926 1.1112 1.1113 1.0986 1.0785 1.0576 1.0920 0.0012 0.0025 0.0066 0.0117 0.0165 0.0318 0.0329 0.0751 0.0593 0.0392 0.0889 0.0576 0.0860 0.0867 0.1149 0.1411 0.1686 0.3423 0.3198 0.2005 0.2941 0.4349 0.2941 0.4282 0.4333 0.4354 0.7127 0.6494 0.7004 0.8299 0.7547 0.8730 1.0320 1.1166 0.6647 1.5090 0.6867 1.0724 1.5176 1.0560 1.4074 1.5185 0.9665 1.1882 1.0396 1.1827 0.8002 1.7102 0.9753 1.5572 1.6245 1.8820 1.6738 1.2774 1.4608 1.7478 1.6233 1.6945 1.4332 1.6036 1.4417 1.3937 1.4486 1.4347 1.3759 1.8781 1.5813 1.5609 1.6550 1.4879 1.4746 1.4606 1.4218 1.4244 1.6176 1.5905 1.6346 1.8857 1.7814 1.8925 1.9457 1.9363 1.7244 1.9085 2.0420 1.8235 2.2766 1.9646 1.8753 1.8200 2.3497 1.9820 1.8884 1.6559 1.9265 1.6983 1.6938 1.7121 1.8709 1.7549 1.7286 4.0300 1.7952 1.7351 1.7703 11.6862 2.0862 6.4855 6.4752 6.5158 6.5251 6.4911 6.5786 6.4541 6.7220 6.8540 6.4855 6.9341 6.7070 6.9325 6.7233 7.0432 7.0246 7.0511 7.1260 7.2771 7.2975 7.2958 7.2569 7.4369 7.4437 7.7002 8.6002 8.4720 9.1039 0.0547 0.1415 1.1853 0.8305 0.0220 0.7837 1.5495 0.3012 3.1704 0.3319 0.6549 0.7982 1.9370 3.3441 2.1489 4.3159 3.0843 4.1689 1.2331 1.8322 0.5917 0.4081 0.3001 2.5062 0.0833 0.8364 4.0983 2.3766 1.3297 1.8652 1.0959 8.5735 8.2083 14.8206 35.0834 19.3284 1.1495 11.9290 5.1355 0.6131 66.2303 19.6026 9.4978 6.9002 2.5405 22.5099 2.3000 32.0773 19.5403 34.4325 11.0352 3.6520 18.6966 4.1436 11.9942 21.4067 1.0440 3.6235 3.0610 2.9686 17.9657 0.6786 12.0497 17.8166 11.0708 0.3000 5.8025 8.2265 6.5357 6.4191 8.5591 11.1329 2.6822 42.6830 2.4179 37.5685 16.9007 38.6548 53.5694 1.4489 5.2959 1.3589 24.5780 0.2949 4.9600 11.9525 12.8710 40.2752 29.8004 15.1072 34.4892 37.3488 10.5981 10.4248 16.8208 1.5181 1.5713 16.0136 9.3714 53.7822 28.0615 12.1680 3.9209 6.4378 24.2858 10.5569 72.5628 6.6204 6.8362 12.8454 17.0111 26.7762 10.5354 2.8970 2.9764 16.8165 1.7867 35.2066 2.6713 9.4766 5.9012 17.1385 0.1714 7.0591 10.0506 0.7965 1.9641 3.2578 14.6847 0.1214 0.5077 5.8343 50.3025 31.2980 53.4800 0.2048 1.1101 1.7175 1.8107 0.3846 0.6324 1.3751 1.3100 0.6682 0.0483 0.7866 0.6581 1.1564 0.4388 0.5362 1.2071 1.0996 1.5467 0.3021 0.1494 0.4655 0.9036 1.5096 1.8564 2.2735 3.1683 2.3322 1.1693 7.8517 2.8935 1.7665 3.9175 13.3094 9.8430 3.5152 14.3683 3.0824 4.8995 3.2287 1.8770 2.3290 2.8665 1.0275 0.5841 1.5006 2.3035 0.9308 1.1009 2.4150 7.8733 1.6059 8.3209 2.4386 10.2667 7.0628 2.5081 7.1330 3.4652 7.3915 3.6429 2.2879 4.0401 2.9792 0.8571 1.4713 6.6914 4.0272 10.1740 2.0253 3.2076 0.2226 6.4233 19.2383 9.1926 6.7584 9.9588 5.8508 2.3923 2.5517 2.1595 6.0104 5.1675 0.5217 2.1799 5.9455 4.8696 11.5546 3.0276 8.0319 10.0029 1.6763 1.3368 2.5677 2.5318 23.5573 4.5257 3.9833 15.2528 18.5311 8.0899 16.3821 46.2967 4.6541 11.3317 3.7250 6.5496 7.2698 57.1780 14.5867 95.3754 65.0512 69.4245 79.3291 83.4800 83.2957 50.3855 39.8610 66.2987 17.5979 118.5332 158.4269 85.0541 45.6386 43.5895 75.2729 41.8337 54.8802 68.3471 70.4485 63.0554 48.8657 123.4294 27.5057 39.3610 38.2472 0.7470 0.7367 0.7308 0.7471 0.6716 0.4577 0.4098 0.3840 0.2891 0.4864 0.4012 0.4914 0.3143 0.6414 0.5421 0.3204 0.1339 0.5472 0.6956 0.7453 0.7400 0.7350 0.0998 0.6850 0.2587 0.2856 0.6834 0.7410 0.1482 0.4145 0.5461 0.6836 0.1138 0.1225 0.6137 0.1372 0.7439 0.4680 0.3718 0.2506 0.6077 0.3636 0.5700 0.6960 0.3761 0.7255 0.7119 0.6496 0.7489 0.5145 0.5452 0.6763 0.7500 0.5495 0.6205 0.7498 0.7378 0.1720 0.7266 0.5570 0.6911 0.7150 0.3377 0.6766 0.5049 0.1903 0.6753 0.4617 0.7362 0.3998 0.7430 0.7465 0.7446 0.7497 0.7470 0.7231 0.7263 0.4265 0.4741 0.6616 0.2485 0.3993 0.5339 0.7319 0.6525 0.5158 0.5305 0.7457 0.5389 0.7105 0.4743 0.7491 0.6002 0.7369 0.4034 0.7500 0.7448 0.6494 0.6757 0.4842 0.7460 0.2578 0.3893 0.7399 0.7216 0.3149 0.5988 0.2731 0.2150 0.1866 0.0754 0.1488 0.2343 0.0384 0.2399 0.6655 0.0290 0.4554 0.5306 0.3030 0.0068 0.5676 0.4463 0.5763 0.1405 0.7334 0.5202 0.5489 0.3309 0.7491 0.7155 0.2743 0.2482 0.0545 0.4683 0.8552 0.8484 0.8445 0.8552 0.8035 0.6280 0.5814 0.5549 0.4485 0.6545 0.5726 0.6590 0.4783 0.7815 0.7031 0.4853 0.2361 0.7073 0.8205 0.8541 0.8506 0.8473 0.1814 0.8130 0.4110 0.4444 0.8119 0.8512 0.2582 0.5860 0.7064 0.8121 0.2043 0.2182 0.7606 0.2412 0.8532 0.6376 0.5421 0.4007 0.7560 0.5332 0.7261 0.8208 0.5466 0.8409 0.8317 0.7876 0.8564 0.6794 0.7057 0.8069 0.8571 0.7093 0.7658 0.8570 0.8491 0.2935 0.8417 0.7155 0.8174 0.8338 0.5049 0.8071 0.6710 0.3198 0.8062 0.6317 0.8480 0.5712 0.8525 0.8549 0.8536 0.8570 0.8552 0.8393 0.8414 0.5979 0.6433 0.7963 0.3980 0.5707 0.6961 0.8452 0.7897 0.6805 0.6932 0.8544 0.7003 0.8307 0.6434 0.8565 0.7502 0.8485 0.5749 0.8571 0.8537 0.7875 0.8065 0.6525 0.8545 0.4099 0.5605 0.8505 0.8383 0.4790 0.7491 0.4291 0.3539 0.3146 0.1403 0.2591 0.3796 0.0740 0.3869 0.7991 0.0564 0.6258 0.6933 0.4651 0.0135 0.7241 0.6172 0.7312 0.2464 0.8462 0.6844 0.7088 0.4973 0.8565 0.8341 0.4306 0.3977 0.1034 0.6379 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 6 6 1 6 6 6 7 1 6 6 6 7 1 1 6 1 6 6 6 6 6 6 6 16 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 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 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 2125.6442 13296.9355 14163.8062 0.99995 -0.01011 0.00126 0.01011 0.99995 -0.00007 -0.00126 0.00009 1.00000 1 0.04075 0.00651 0.00612 0.84903 0.13573 0.12742 34.52 50.77 72.80 113.47 132.96 170.97 201.70 247.73 319.59 334.34 344.73 346.33 359.87 416.38 441.32 469.54 519.38 533.65 577.47 588.18 637.80 669.40 693.51 721.40 735.62 749.60 769.58 846.31 857.40 933.22 949.44 1077.96 1118.77 1178.83 1189.53 1218.25 1250.97 1285.10 1295.45 1327.79 1346.59 1367.72 1391.19 1418.14 1427.94 1437.22 1469.63 1492.42 1498.56 1523.42 1584.66 1613.32 1617.32 1637.24 1650.40 1669.08 1684.02 1714.52 1736.67 1750.39 1772.40 1790.92 1799.00 1803.87 1843.31 1880.34 1901.40 1914.98 1955.06 1998.60 2018.68 2025.10 2053.43 2068.50 2113.14 2123.04 2133.82 2141.78 2168.97 2187.18 2190.10 2200.42 2209.66 2211.85 2217.98 2226.48 2256.59 2274.10 2280.30 2285.32 2290.76 2302.08 2319.19 2334.40 2340.32 2344.26 2348.55 2356.00 2360.43 2362.51 2363.88 2365.82 2374.70 2378.96 2384.43 2526.51 2607.81 4581.57 4616.95 4625.00 4627.18 4634.05 4651.56 4655.19 4658.54 4683.95 4695.73 4703.01 4708.14 4715.34 4715.92 4734.83 4752.99 4762.93 4780.77 4798.31 4801.90 4825.86 4830.71 4849.27 4851.10 4962.59 5293.02 5305.12 5412.10 0.464655 0.482266 0.483210 0.418120 -1127.632420 -1127.614808 -1127.613864 -1127.678954 2.183129D-04 MUNgauss RevisionA2.1 retrievium 30-Apr-2021 DUDE C[C@H](C1CC[NH+](CC1)C)[NH2+][C@H]2CCCc3c2ccs3 C61359978 RHF 6-31G(d) (6D,10F) C1 280.197321 |X|Y|Z| 30.971534 21.891757 83.568765 38.408656 17 6 7 16 14 2 1 |36.858105| |12.480368|36.858105| |8.860593|17.638467|0.500000| |7.381846|12.271478|0.245106|36.858105| |6.413626|7.469295|0.183383|12.366221|36.858105| |4.303683|4.859503|0.124239|7.469259|12.491351|36.858105| |3.587009|4.319609|0.116345|6.380445|7.608559|12.692978|53.358707| |3.510854|4.238555|0.120443|5.803292|7.086893|9.310097|25.674858|0.500000| |3.714709|4.830855|0.127465|7.452282|6.532917|7.718737|17.302428|0.258692|36.858105| |4.828201|7.382057|0.194788|12.349800|7.635763|6.545902|10.370447|0.197037|12.474656|36.858105| |2.836355|3.244361|0.087517|4.336338|4.956289|7.659371|17.291695|0.260181|7.666139|4.958836|36.858105| |7.640391|12.529011|0.253685|7.638824|4.926490|3.778468|4.866718|0.095942|4.262428|6.208388|2.836362|53.358707| |7.118750|9.206357|0.181524|7.061556|4.682169|3.719321|4.686081|0.089889|4.094010|5.525126|2.789008|25.695994|0.500000| |5.682299|9.210897|0.221124|7.384467|4.683489|3.772639|5.133026|0.101152|4.777620|7.299870|2.984023|25.768087|0.330050|0.500000| |5.907781|7.051461|0.184297|4.784083|3.637528|2.922896|3.818376|0.077015|3.216652|4.270153|2.321169|16.630073|0.253933|0.256677|36.858105| |4.554219|5.491915|0.144717|4.227400|3.226683|2.702123|3.619745|0.072544|3.118118|4.033708|2.238449|12.574710|0.221177|0.248683|17.565906|0.500000| |5.192665|6.131057|0.195020|4.242814|3.442904|2.766579|3.677898|0.076602|3.019102|3.981508|2.236884|10.181872|0.156548|0.186397|12.462980|0.246133|36.858105| |3.978338|4.205341|0.127205|3.187339|2.733022|2.276699|3.023599|0.062935|2.430100|3.016409|1.896222|6.657368|0.115874|0.124982|7.601444|0.183720|12.420967|36.858105| |4.128561|3.930651|0.113435|2.984047|2.632401|2.186930|2.829328|0.058429|2.226213|2.703922|1.788550|5.951144|0.109658|0.106345|6.347069|0.146961|7.562356|12.436961|36.858105| |4.820829|4.375938|0.117126|3.274524|2.823321|2.329983|2.961549|0.060065|2.349162|2.859615|1.867314|6.988931|0.136102|0.118203|7.664978|0.170149|6.732832|7.668798|12.640139|36.858105| |5.812966|5.555289|0.139067|3.996825|3.250127|2.645432|3.355192|0.067147|2.729008|3.413300|2.085533|10.232807|0.205282|0.159862|12.679311|0.248825|7.526656|6.666749|7.484845|14.069168|36.858105| |5.250868|4.770511|0.113402|3.767395|3.107234|2.594203|3.239142|0.063581|2.624615|3.162438|2.045138|8.357788|0.200698|0.136075|7.258168|0.178192|4.871092|4.463072|5.036491|8.175000|13.210188|36.858105| |4.317727|3.744565|0.092578|3.072989|2.676911|2.278345|2.834394|0.055952|2.241636|2.618520|1.822235|5.928973|0.134347|0.101684|5.078957|0.128102|3.956380|3.936562|4.812822|7.697587|8.239318|14.176213|36.858105| |3.944009|3.416760|0.089328|2.747097|2.456469|2.082676|2.617199|0.052623|2.042396|2.391452|1.684869|5.187521|0.108190|0.090578|4.774499|0.117521|4.192096|4.641405|6.697813|11.057560|7.482688|7.469875|11.065049|388.023441| |17.661914|8.791445|0.210192|5.418617|4.763897|3.475441|4.113887|0.083336|3.153333|4.018385|2.462192|9.622245|0.179039|0.145326|6.671643|0.135514|6.010322|4.730299|5.237531|6.323646|7.290111|6.007664|5.029033|34.652447|0.500000| |17.624771|8.863877|0.215471|6.630084|7.098145|4.594801|5.032473|0.102545|3.614296|4.505420|2.919115|7.560472|0.143391|0.126526|4.567962|0.102607|4.386227|3.505592|3.645338|4.013785|4.479337|4.103761|3.594992|24.334223|0.304456|0.500000| |17.559105|8.758731|0.172948|6.784246|5.945200|4.260435|4.716340|0.091319|3.595275|4.440565|2.803015|9.199511|0.204244|0.143416|5.211867|0.117750|4.298194|3.468956|3.668872|4.481977|5.519231|5.689429|4.682252|28.109833|0.302278|0.301026|0.500000| |6.624983|8.833911|0.174361|17.480404|8.902486|6.820907|7.713218|0.135016|6.780391|8.834605|4.167801|9.779121|0.217515|0.190181|4.547789|0.115044|3.797695|2.956626|2.824715|3.199964|3.981190|3.997754|3.228031|19.678913|0.138676|0.158591|0.197140|0.500000| |7.157916|6.741167|0.159104|8.739798|17.621710|9.067285|7.617590|0.144885|4.908836|5.520353|4.155608|6.232037|0.125563|0.115537|3.500826|0.085296|3.267376|2.657920|2.644407|2.885810|3.289129|3.222922|2.824095|18.294607|0.143010|0.238967|0.197114|0.215493|0.500000| |5.976436|6.918214|0.197865|8.777695|17.513041|8.859765|9.265847|0.206008|5.683477|6.800862|4.576261|6.185345|0.114679|0.120964|3.534479|0.086403|3.541494|2.810264|2.682421|2.788070|3.125051|2.893851|2.527036|17.033096|0.129863|0.197418|0.142294|0.173786|0.303986|0.500000| |4.057322|4.455593|0.109534|6.712801|8.770528|17.607280|12.445406|0.181967|7.044785|5.766695|7.114112|4.982790|0.104273|0.101264|2.829647|0.073576|2.602844|2.167159|2.100245|2.275713|2.606004|2.629083|2.310143|14.705899|0.091686|0.116026|0.117818|0.199966|0.216256|0.172984|0.500000| |3.803589|4.048729|0.106996|5.461048|8.817199|17.631736|12.367980|0.224441|5.625991|4.907793|7.152048|4.353935|0.087228|0.087808|2.582620|0.066285|2.493812|2.096732|2.034998|2.145176|2.382436|2.336504|2.095466|13.819461|0.087587|0.117188|0.104195|0.139813|0.216182|0.215796|0.301670|0.500000| |3.549146|4.433104|0.111742|6.699697|5.756985|7.043204|12.452996|0.181980|17.608280|8.764492|7.118817|5.580443|0.115106|0.126036|3.096126|0.084471|2.811739|2.299404|2.135253|2.293700|2.686457|2.660981|2.271550|14.422871|0.083859|0.094307|0.099426|0.198608|0.129386|0.132178|0.212584|0.144208|0.500000| |3.157403|4.022517|0.110567|5.451988|4.900585|5.623756|12.371867|0.224382|17.630596|8.805296|7.152083|5.062465|0.098215|0.118143|2.944687|0.080921|2.825336|2.309771|2.089860|2.171297|2.488403|2.375036|2.048183|13.434630|0.076875|0.085524|0.084260|0.139089|0.108035|0.127634|0.144173|0.126763|0.301641|0.500000| |4.573655|6.849112|0.213727|8.789102|6.821735|5.706440|9.298702|0.206825|8.862611|17.515341|4.584305|7.593174|0.131025|0.178947|4.154563|0.107742|4.187333|3.145460|2.763093|2.824937|3.279176|2.940936|2.474182|16.573412|0.109115|0.122824|0.111549|0.173244|0.139134|0.198847|0.132561|0.128080|0.172999|0.215539|0.500000| |4.379110|6.581529|0.171518|8.647645|5.497576|4.905916|7.632689|0.145234|9.095365|17.553855|4.163329|9.235789|0.168446|0.256501|4.651441|0.128525|4.179329|3.153335|2.766999|2.944568|3.584761|3.317633|2.699760|17.358754|0.105611|0.109102|0.114162|0.211289|0.122411|0.138477|0.129234|0.108013|0.216310|0.217663|0.304012|0.500000| |2.696055|2.984408|0.081295|3.836316|4.644483|7.071681|12.284531|0.224592|5.591288|4.135428|17.651634|3.507835|0.070271|0.073969|2.148720|0.057117|2.094291|1.795628|1.709951|1.776020|1.958033|1.919912|1.731941|11.488076|0.065380|0.078784|0.073867|0.101600|0.112321|0.123376|0.176292|0.218997|0.144556|0.145540|0.110248|0.097039|0.500000| |2.574770|2.979248|0.081912|3.834036|4.131580|5.586201|12.277838|0.224352|7.074295|4.643278|17.650591|3.639924|0.072396|0.079497|2.224984|0.060316|2.166592|1.846502|1.723095|1.781985|1.981556|1.928636|1.720217|11.390440|0.063183|0.072883|0.070018|0.101467|0.096883|0.109987|0.144479|0.145498|0.176385|0.218909|0.123440|0.112605|0.299217|0.500000| |2.764837|3.118728|0.081972|4.173529|4.592550|6.973576|12.288513|0.181303|6.974454|4.593330|17.650771|3.796773|0.077981|0.081224|2.276912|0.061420|2.150535|1.833904|1.742349|1.841385|2.068871|2.064801|1.840601|11.939984|0.066673|0.077900|0.077777|0.118082|0.111247|0.112560|0.214041|0.174963|0.214045|0.174802|0.112687|0.111335|0.298962|0.298851|0.500000| |4.423674|5.608451|0.186654|4.195588|3.381972|2.776456|3.817318|0.080356|3.195716|4.257235|2.318531|9.157741|0.140992|0.193260|8.827732|0.220985|17.542117|8.782216|5.496549|4.923729|5.518490|4.009324|3.305911|24.262162|0.131951|0.107632|0.103820|0.102690|0.086517|0.097651|0.071999|0.069244|0.081288|0.084902|0.128812|0.127363|0.059829|0.063259|0.061411|0.500000| |6.190333|6.994518|0.246118|4.563021|3.838830|2.980458|3.884550|0.081934|3.096009|4.102524|2.331884|9.489846|0.146960|0.166091|8.815006|0.174231|17.568684|8.927166|7.059063|6.217357|6.572275|4.515208|3.782880|28.901116|0.205888|0.149151|0.132222|0.109463|0.101917|0.113146|0.076487|0.075216|0.079018|0.079416|0.122688|0.113355|0.061254|0.062146|0.061695|0.301766|0.500000| |3.454925|3.710082|0.108739|2.933220|2.494346|2.123931|2.851528|0.058899|2.320730|2.837540|1.809515|6.151965|0.110673|0.119849|6.993599|0.197273|8.816080|17.552808|8.828188|6.726037|6.179558|4.370160|3.856538|31.402432|0.110193|0.084400|0.086713|0.077178|0.067164|0.070226|0.056787|0.054206|0.061658|0.061870|0.081027|0.084377|0.047370|0.049250|0.048941|0.209222|0.174255|0.500000| |3.511667|3.717818|0.116262|2.913408|2.568410|2.162538|2.900295|0.061139|2.302234|2.816909|1.830037|5.535726|0.096943|0.107238|5.536691|0.139143|8.871063|17.592974|8.822346|5.569872|4.885600|3.579051|3.257000|27.296537|0.112988|0.089416|0.084759|0.074179|0.068997|0.074787|0.056671|0.055916|0.059924|0.061487|0.083486|0.080773|0.048430|0.049809|0.048784|0.216224|0.213503|0.303503|0.500000| |3.370919|3.219785|0.092212|2.557971|2.290638|1.945912|2.532963|0.052256|1.985111|2.357070|1.625249|4.854310|0.092023|0.089378|4.880602|0.122365|5.515136|8.828025|17.586645|8.911608|5.728306|4.333607|4.396998|45.711483|0.113859|0.084586|0.085784|0.068091|0.064041|0.064687|0.052225|0.050683|0.053213|0.052239|0.066754|0.067265|0.043300|0.043693|0.044117|0.123218|0.141928|0.218734|0.207043|0.500000| |4.320464|3.945699|0.116458|2.987056|2.715007|2.233698|2.861604|0.059579|2.209244|2.672279|1.804376|5.539776|0.101534|0.098624|5.350790|0.121728|6.638765|8.801369|17.528788|8.907922|6.056444|4.392752|4.286135|41.707065|0.155857|0.109903|0.103938|0.077395|0.076481|0.078181|0.059008|0.058330|0.058417|0.057400|0.076766|0.074215|0.048325|0.048089|0.048534|0.138849|0.201836|0.173645|0.218074|0.304153|0.500000| 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