Version2.4 2021-04-30T10:17:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 01-Nov-2018 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](c1ccc(cc1)S(=O)(=O)N[C@H](C)C(=O)NC)[NH3+] C49101849 RHF 6-31G(d) (6D,7F) C[C@@H](c1ccc(cc1)S(=O)(=O)N[C@H](C)C(=O)NC)[NH3+] C01[X(C12H20N3O3S1)] 111 C1 329 CNC(=O)[C@H](NS(=O)(=O)c1ccc(cc1)[C@@H]([NH3+])C)C CNC(=O)[C@H](NS(=O)(=O)c1ccc(cc1)[C@@H]([NH3+])C)C CNC(=O)[C@@H](C)N[S](=O)(=O)c1ccc(cc1)[C@H](C)[NH3+] InChIKey=BLEVRVOXARXTAD-DTWKUNHWSA-O InChI=1S/C12H19N3O3S/c1-8(13)10-4-6-11(7-5-10)19(17,18)15-9(2)12(16)14-3/h4-9,15H,13H2,1-3H3,(H,14,16)/p+1/t8-,9+/m0/s1 InChI=1/C12H19N3O3S/c1-8(13)10-4-6-11(7-5-10)19(17,18)15-9(2)12(16)14-3/h4-9,15H,13H2,1-3H3,(H,14,16)/p+1/t8-,9+/m0/s1/fC12H20N3O3S/h13-14H/q+1 C[C@@H](c1ccc(cc1)S(=O)(=O)N[C@H](C)C(=O)NC)[NH3+] C01[X(C12H20N3O3S1)] 111 C01 329 CNC(=O)[C@H](NS(=O)(=O)c1ccc(cc1)[C@@H]([NH3+])C)C CNC(=O)[C@H](NS(=O)(=O)[C]1[CH][CH][C]([CH][CH]1)[C@@H]([NH3])C)C CNC(=O)[C@@H](C)N[S](=O)(=O)[C]1[CH][CH][C]([CH][CH]1)[C@H](C)[NH3] InChIKey=WPDNMNLTMMBOAG-DTWKUNHWSA-N InChI=1S/C12H20N3O3S/c1-8(13)10-4-6-11(7-5-10)19(17,18)15-9(2)12(16)14-3/h4-9,15H,1-3,13H3,(H,14,16)/t8-,9+/m0/s1 InChI=1/C12H20N3O3S/c1-8(13)10-4-6-11(7-5-10)19(17,18)15-9(2)12(16)14-3/h4-9,15H,1-3,13H3,(H,14,16)/t8-,9+/m0/s1/f/h14H 1654.1341067433 -1251.2348096 1-A 8262.3257 76 253 329 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.30106 -20.64459 -20.63963 -20.60835 -15.88366 -15.67750 -15.66511 -11.48386 -11.42951 -11.40447 -11.39413 -11.38870 -11.38645 -11.38454 -11.37837 -11.37821 -11.37131 -11.32363 -11.31064 -9.27188 -6.95850 -6.95807 -6.95690 -1.56975 -1.50665 -1.47852 -1.44485 -1.32852 -1.31527 -1.31355 -1.23859 -1.16842 -1.16495 -1.13203 -1.06404 -1.03220 -1.00743 -0.98350 -0.96809 -0.95330 -0.95019 -0.91409 -0.86989 -0.86228 -0.84421 -0.82414 -0.80492 -0.79069 -0.77155 -0.76739 -0.74776 -0.73870 -0.73169 -0.72081 -0.71601 -0.71478 -0.69798 -0.69728 -0.67386 -0.66747 -0.66050 -0.64923 -0.64030 -0.63910 -0.62271 -0.61429 -0.60452 -0.59427 -0.58617 -0.56240 -0.55324 -0.52135 -0.50210 -0.48116 -0.47794 -0.46573 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -0.03542 -0.00673 -0.00009 0.06378 0.06764 0.08997 0.11331 0.11654 0.12690 0.14178 0.14421 0.16300 0.16666 0.17518 0.18666 0.18831 0.19395 0.20459 0.20656 0.21135 0.22192 0.23295 0.23353 0.24220 0.24939 0.25329 0.25890 0.26738 0.27358 0.28001 0.29146 0.30973 0.32616 0.32954 0.35372 0.35774 0.37588 0.39413 0.42181 0.43559 0.45384 0.47702 0.50647 0.51813 0.52834 0.54024 0.55365 0.56842 0.57464 0.58743 0.61159 0.64533 0.64935 0.65996 0.66584 0.66935 0.68001 0.68758 0.69111 0.69790 0.70498 0.71511 0.72723 0.72796 0.74453 0.75651 0.76116 0.76880 0.78925 0.81315 0.82394 0.84227 0.85114 0.85403 0.88058 0.88437 0.90077 0.90488 0.91155 0.92317 0.93115 0.93807 0.94190 0.94496 0.95134 0.96025 0.96923 0.97329 0.98104 0.98621 0.99570 1.00013 1.01316 1.02247 1.02734 1.03507 1.04122 1.05617 1.06454 1.06585 1.07900 1.08148 1.08735 1.09602 1.10613 1.11740 1.13136 1.13811 1.14773 1.15051 1.15755 1.16762 1.17567 1.18022 1.19555 1.21120 1.22506 1.25688 1.26701 1.28366 1.29326 1.30845 1.32661 1.34344 1.35848 1.38091 1.39779 1.41657 1.43059 1.43715 1.46238 1.47908 1.48770 1.50771 1.53624 1.55060 1.56959 1.57628 1.58970 1.59339 1.61087 1.63167 1.64641 1.67058 1.67934 1.70929 1.71963 1.73817 1.74929 1.76855 1.78632 1.82778 1.83797 1.86752 1.89429 1.92064 1.94890 1.95869 1.96145 1.97622 1.98885 1.99679 2.00755 2.03475 2.04399 2.06789 2.06930 2.09393 2.10361 2.11582 2.11889 2.13053 2.14109 2.14748 2.15504 2.17760 2.19000 2.20095 2.21679 2.22619 2.24378 2.27672 2.29498 2.29845 2.30597 2.32557 2.33167 2.34833 2.35294 2.36774 2.37859 2.38690 2.40665 2.44107 2.45102 2.46237 2.47184 2.48001 2.49770 2.50265 2.51402 2.52011 2.55144 2.58721 2.59136 2.61265 2.62942 2.64515 2.67660 2.68578 2.69539 2.74450 2.77855 2.80734 2.84043 2.85291 2.85960 2.88873 2.90985 2.94074 2.97608 2.99812 3.00411 3.01354 3.04254 3.06967 3.07714 3.09423 3.16278 3.23223 3.32170 3.33145 3.48515 3.65285 3.98099 4.10523 4.31060 4.34854 4.36094 4.37929 4.40686 4.41795 4.44998 4.48340 4.50030 4.60332 4.62113 4.64160 4.67532 4.75465 4.78412 4.94249 5.00803 11.70924 22.4127 -5.3557 0.9304 23.0625 |XX|YY|ZZ|XY|XZ|YZ| 56.9970 -122.0526 -115.6189 12.1272 -13.5984 -5.6537 |XX|YY|ZZ|XY|XZ|YZ| 117.2218 -61.8278 -55.3940 12.1272 -13.5984 -5.6537 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1.7888 2.3124 2.6879 3.3535 2.8255 1.5371 1.8135 4.3442 1.7102 1.1650 2.2430 1.9819 1.7331 1.7116 1.7028 3.0195 1.2704 1.5442 1.3331 1.2499 1.4716 1.6380 1.3634 1.1666 1.0599 1.0541 1.0584 1.0526 1.0927 1.0760 1.1860 2.2074 2.0055 5.9723 4.7454 1.0463 1.0690 9.0045 1.0353 1.0385 1.0357 1.0899 1.1026 1.1018 1.1016 1.0933 1.1040 1.1023 1.1065 1.0921 1.0913 1.0950 1.0946 1.0315 1.0955 1.0953 1.0760 1.0793 0.0005 0.0006 0.0013 0.0045 0.0058 0.0052 0.0067 0.0366 0.0397 0.0542 0.0711 0.0944 0.0716 0.0522 0.0432 0.0824 0.0720 0.1835 0.1536 0.4515 0.3630 0.2892 0.3727 0.4115 0.3595 0.4902 0.1801 0.5138 0.4184 0.9035 0.9240 0.8298 0.5572 1.8063 1.3145 1.5139 1.6691 1.5299 1.5749 1.7591 1.2127 0.7582 0.7245 1.3986 0.9065 0.8046 2.1074 0.9893 2.2836 2.4498 1.0171 1.3447 1.4642 1.4750 1.9617 2.3218 2.9309 2.6049 1.4344 1.7038 4.1683 1.7180 1.1887 2.3321 2.1107 1.9157 2.1256 2.1318 3.9388 1.6850 2.0731 1.8018 1.8093 2.1353 2.4266 2.0594 1.7766 1.6631 1.6577 1.6687 1.6607 1.7350 1.7362 1.9464 3.6761 3.5282 11.0342 9.1604 2.0384 2.1028 20.1125 6.3276 6.3680 6.3958 6.9048 7.0322 7.0275 7.0796 7.0452 7.1256 7.1718 7.2655 7.2842 7.3117 7.5179 7.5530 7.9806 8.9907 9.0014 8.9148 9.6137 4.9314 5.7707 8.8932 1.2975 1.5745 3.1861 8.0859 6.9724 3.6933 4.2915 1.5217 0.7588 2.9247 1.4529 3.6267 4.0957 5.0129 6.3548 12.7207 20.0230 38.1040 4.6799 9.8748 9.3486 26.6920 6.5349 54.8055 7.1816 13.3302 17.1077 54.4387 122.6947 69.6677 14.1247 129.4041 29.7195 51.4405 26.9440 23.7128 12.3730 9.8101 22.1050 13.9997 111.3798 17.4065 13.9968 121.6324 0.2307 2.2142 18.4797 0.9841 30.9798 28.0489 14.6192 5.9013 7.0161 106.8380 100.0535 34.0897 21.6242 153.5351 4.5839 0.1616 4.6466 52.6784 100.4354 110.8550 54.7123 166.9265 7.6318 7.6754 44.7258 1.6056 14.6762 26.1095 204.7096 7.1802 16.8720 8.4825 5.2055 14.0991 17.7756 7.0785 223.9980 4.3282 294.6111 4.1259 3.5326 60.1171 55.4455 273.5405 17.2262 9.3406 46.1987 8.8443 39.1057 7.2558 22.0246 10.9851 26.7622 3.0972 14.0494 7.7003 10.0451 0.8104 2.9277 71.5445 98.7462 91.7978 204.2502 46.9151 0.3405 1.0452 0.7743 5.2224 0.8465 0.3188 0.4888 1.1199 0.4794 0.4291 1.0592 2.6967 0.6629 1.0881 0.2057 0.3000 1.4196 1.3927 0.7257 0.8583 2.7780 1.9182 0.2115 0.7539 1.2328 0.4983 0.8382 1.4389 0.4691 1.1132 0.1310 1.3133 3.5177 6.5499 1.3705 2.1393 9.3094 19.2773 2.0877 12.5271 7.4270 1.2426 0.8887 1.8671 4.9427 2.7289 6.5849 0.3877 0.6395 5.1301 0.0819 4.7631 2.6116 3.4707 1.0007 4.0135 4.8507 6.1941 2.3906 2.5074 8.0002 4.5842 5.9544 0.4104 18.2140 4.3239 4.7754 1.9893 2.6536 2.9403 3.9241 4.8752 1.2212 2.2160 1.4432 9.2222 8.5862 13.8306 15.3804 15.2173 12.4570 15.4596 9.6792 0.7851 1.5089 7.4725 3.1055 77.3530 7.2764 9.1101 4.2821 103.9328 131.0657 124.7474 52.5119 90.4666 37.0054 39.7877 58.0908 74.3062 43.0263 58.9718 79.3651 64.3233 67.1896 59.8166 89.5200 64.3069 48.6677 49.8054 38.3216 0.7419 0.7477 0.7269 0.7499 0.7189 0.6632 0.7235 0.5791 0.5153 0.5647 0.5305 0.3809 0.7460 0.3850 0.5999 0.2321 0.3612 0.3250 0.4025 0.3330 0.3290 0.3410 0.4251 0.6676 0.7059 0.6950 0.0682 0.0685 0.7309 0.7362 0.7462 0.4545 0.3021 0.7292 0.7314 0.7209 0.0540 0.0527 0.5829 0.3240 0.1012 0.6828 0.7485 0.7396 0.7340 0.6826 0.4806 0.7339 0.4055 0.3376 0.2563 0.3198 0.2476 0.3994 0.5017 0.7396 0.1349 0.0325 0.7325 0.5792 0.0523 0.1773 0.1818 0.4370 0.2363 0.6550 0.5853 0.7255 0.4265 0.7020 0.3583 0.6815 0.5979 0.6216 0.4020 0.6552 0.7242 0.7242 0.6924 0.6951 0.7328 0.7438 0.7494 0.4944 0.2158 0.5907 0.6718 0.4778 0.7317 0.5496 0.3290 0.0371 0.0664 0.0290 0.4983 0.7494 0.7050 0.4821 0.3503 0.6756 0.5598 0.7500 0.3233 0.3517 0.2113 0.2020 0.0523 0.6497 0.5934 0.1614 0.2076 0.8519 0.8556 0.8418 0.8571 0.8364 0.7975 0.8395 0.7335 0.6801 0.7218 0.6932 0.5517 0.8545 0.5560 0.7499 0.3767 0.5307 0.4905 0.5740 0.4996 0.4951 0.5086 0.5966 0.8007 0.8276 0.8200 0.1277 0.1282 0.8445 0.8481 0.8547 0.6249 0.4640 0.8434 0.8448 0.8378 0.1024 0.1001 0.7365 0.4894 0.1839 0.8115 0.8561 0.8503 0.8466 0.8114 0.6492 0.8465 0.5770 0.5048 0.4080 0.4846 0.3969 0.5708 0.6681 0.8503 0.2377 0.0629 0.8456 0.7335 0.0994 0.3011 0.3077 0.6082 0.3822 0.7916 0.7384 0.8409 0.5979 0.8249 0.5275 0.8106 0.7483 0.7667 0.5735 0.7917 0.8400 0.8401 0.8182 0.8201 0.8458 0.8531 0.8568 0.6617 0.3549 0.7427 0.8037 0.6466 0.8451 0.7094 0.4951 0.0716 0.1246 0.0564 0.6651 0.8567 0.8270 0.6506 0.5189 0.8064 0.7178 0.8571 0.4886 0.5203 0.3489 0.3362 0.0994 0.7877 0.7448 0.2780 0.3439 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 6 6 1 6 6 6 6 6 6 16 8 8 7 6 1 6 6 8 7 6 7 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 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 15.99491 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 2156.5787 13005.0373 13727.7208 1.00000 0.00104 -0.00205 -0.00113 0.99910 -0.04230 0.00200 0.04230 0.99910 1 0.04016 0.00666 0.00631 0.83685 0.13877 0.13147 21.39 24.04 33.02 68.50 70.52 101.89 110.44 166.33 194.31 218.51 240.32 310.15 329.41 357.23 361.57 380.70 393.39 422.57 431.08 505.07 519.62 548.69 590.14 641.92 642.77 657.87 680.28 748.67 765.12 819.04 891.16 935.49 980.54 996.39 1027.78 1085.43 1163.50 1188.23 1197.36 1270.64 1352.53 1368.07 1376.47 1387.99 1459.61 1483.08 1555.24 1587.97 1602.97 1612.22 1614.71 1684.91 1689.41 1702.09 1726.46 1742.12 1752.34 1799.74 1810.71 1816.84 1836.08 1878.66 1893.36 1911.29 1934.37 1970.70 2088.86 2097.31 2140.82 2158.77 2171.83 2179.14 2255.15 2257.88 2281.42 2303.75 2313.12 2348.02 2350.65 2353.60 2354.43 2361.93 2381.01 2401.26 2418.92 2486.20 2547.83 2604.28 2616.20 2629.00 2801.37 4633.98 4641.46 4658.04 4717.83 4733.78 4733.92 4751.73 4758.29 4762.18 4781.11 4803.16 4840.99 4851.93 4911.40 4923.89 5213.67 5369.86 5373.54 5395.22 5594.36 0.353090 0.372911 0.373855 0.300897 -1250.881719 -1250.861898 -1250.860954 -1250.933912 2.447023D-04 MUNgauss RevisionA2.1 retrievium 30-Apr-2021 DUDE C[C@@H](c1ccc(cc1)S(=O)(=O)N[C@H](C)C(=O)NC)[NH3+] C49101849 RHF 6-31G(d) (6D,10F) C1 286.122538 |X|Y|Z| 82.875417 29.905543 22.340782 38.114650 6 6 6 |36.858105| |12.510460|36.858105| |8.883437|17.634164|0.500000| |7.353987|12.594507|0.247885|36.858105| |5.067932|7.617019|0.205920|13.688294|36.858105| |3.866761|5.039338|0.133995|7.912499|13.781945|36.858105| |3.671356|4.451993|0.111539|6.883287|7.970397|13.743468|36.858105| |4.297695|5.008531|0.116593|7.916184|6.867350|7.908399|13.768183|36.858105| |6.181191|7.519366|0.155507|13.711423|7.927392|6.859081|7.961548|13.744734|36.858105| |2.743831|3.142483|0.081458|4.185178|4.725984|6.944230|10.671970|6.928492|4.716248|388.023441| |2.609217|2.885996|0.073308|3.714855|3.845134|4.958419|7.404092|6.628842|4.478311|94.779831|73.516695| |2.490568|2.909374|0.077327|3.735629|4.424548|6.400708|7.424151|5.100254|3.916829|94.946795|13.546281|73.516695| |2.551924|2.833750|0.075239|3.629556|4.128232|5.682453|7.033386|5.191348|3.925457|83.670978|13.602635|13.781616|53.358707| |2.358340|2.516587|0.066439|3.105133|3.329590|4.155065|5.077048|4.390287|3.444525|49.942868|11.672591|9.041157|17.735633|36.858105| |2.275933|2.412856|0.062941|2.957246|3.085260|3.784490|4.794978|4.371634|3.376421|49.085709|14.067904|8.776219|12.430748|17.613404|0.500000| |2.582557|2.674851|0.070331|3.269171|3.392023|4.003669|4.760919|4.453165|3.649891|37.481290|8.992826|7.019837|10.489178|12.442620|0.245671|36.858105| |2.021741|2.147721|0.057797|2.557704|2.775787|3.358753|3.774018|3.283803|2.731816|35.348514|8.162984|7.548268|10.822585|12.423324|0.246469|7.547504|36.858105| |1.961379|2.109772|0.057603|2.497588|2.784311|3.386891|3.618755|3.055215|2.590371|33.267297|7.182022|7.715580|9.959719|7.991455|0.168813|5.701673|15.841058|73.516695| |1.837712|1.917061|0.051469|2.232805|2.362957|2.758607|3.089462|2.821628|2.401106|27.502560|6.853630|5.991225|7.169227|7.827146|0.200575|6.167035|14.217445|15.107190|53.358707| |1.627618|1.693876|0.045919|1.934319|2.052417|2.351277|2.549992|2.338379|2.043130|21.975512|5.412460|5.057355|5.378622|5.002018|0.130921|4.300756|7.813262|12.196142|17.846177|36.858105| |7.678671|12.376604|0.254337|7.751464|5.706004|4.229516|3.865454|4.332952|5.971368|20.431461|4.799749|4.877916|3.424211|2.239882|0.060805|2.313084|1.935283|3.385470|2.373200|1.554243|53.358707| |7.093833|8.909805|0.220453|5.670729|4.535675|3.504825|3.216953|3.543747|4.623684|17.743924|4.200700|4.272722|3.035143|2.012851|0.054661|2.086155|1.764668|3.095478|2.183382|1.442906|25.638348|0.500000| |5.653012|8.982341|0.222380|7.223935|6.080011|4.525355|3.994495|4.257722|5.476635|21.224775|4.899839|5.215879|3.500653|2.249282|0.060973|2.276731|1.954373|3.449888|2.381077|1.563749|25.643002|0.323355|0.500000| |6.977816|8.981099|0.180176|7.077388|5.066820|4.019479|3.900555|4.606873|6.431128|20.794138|5.025573|4.896554|3.425769|2.263244|0.062313|2.331023|1.939041|3.357178|2.391406|1.559518|25.652582|0.323917|0.325846|0.500000| |17.586382|8.740571|0.173007|6.579625|4.497370|3.636805|3.646672|4.507149|6.582847|19.612293|4.802579|4.388334|3.444262|2.371858|0.064599|2.598198|2.014950|3.433405|2.512928|1.627640|9.428793|0.174889|0.143279|0.204643|0.500000| |17.607848|8.934845|0.211451|6.735872|4.979471|3.885988|3.686142|4.238833|5.798626|19.726251|4.653313|4.416483|3.623135|2.486073|0.065796|2.796938|2.129390|3.665489|2.632340|1.708059|7.576464|0.143611|0.125753|0.142470|0.302152|0.500000| |17.561633|8.800567|0.216471|5.423368|4.164300|3.265572|3.070767|3.473404|4.625898|16.989979|4.052345|3.932864|3.050036|2.084478|0.055993|2.263661|1.820891|3.160421|2.271449|1.495440|9.491772|0.210277|0.144998|0.170827|0.300626|0.302055|0.500000| |4.733223|7.066948|0.228458|8.872070|17.702645|8.961985|5.666171|4.947984|5.632742|27.824138|5.727895|6.856501|4.867025|2.933687|0.075142|2.985223|2.538562|4.614019|2.964429|1.926617|7.423851|0.126422|0.166673|0.127513|0.112330|0.129616|0.113844|0.500000| |3.259391|4.110169|0.114627|5.634326|8.921633|17.751795|8.907805|5.636264|4.947580|47.201896|8.081171|12.604571|7.949950|4.107986|0.101866|3.803615|3.477616|6.498131|3.822809|2.426323|4.874621|0.085279|0.108075|0.093786|0.084768|0.091615|0.079048|0.216130|0.500000| |3.733985|4.077325|0.096294|5.632872|4.952701|5.642016|8.940663|17.761595|8.893980|47.157417|13.808439|8.420041|6.804141|4.545406|0.133593|4.572409|3.338822|5.362302|3.992019|2.403519|5.023201|0.086506|0.099869|0.111827|0.112611|0.102562|0.085972|0.107501|0.124224|0.500000| |6.717335|6.891492|0.139783|8.847253|5.624258|4.944816|5.671919|8.979377|17.714116|27.811897|7.009106|5.858549|4.563134|3.082392|0.085591|3.319046|2.482989|4.147882|3.042138|1.915307|7.974818|0.130412|0.140236|0.190047|0.231461|0.168134|0.138183|0.123481|0.107434|0.216271|0.500000| |2.358337|2.634112|0.071351|3.290893|3.850370|5.222794|5.725289|4.263384|3.412567|61.148306|10.363573|13.658566|25.808038|9.169375|0.189193|6.057278|8.081621|16.276088|7.043604|4.091858|3.209807|0.058584|0.067643|0.064813|0.064214|0.068210|0.058293|0.096191|0.162825|0.112100|0.081602|0.500000| |2.613738|2.714916|0.072746|3.284315|3.495157|4.072709|4.508531|4.091632|3.505486|33.498034|7.507446|6.642670|9.518524|8.814873|0.173429|17.579644|6.909337|10.441128|7.493125|4.132660|3.144394|0.058148|0.063240|0.063661|0.071560|0.079843|0.063912|0.087162|0.109937|0.110909|0.087656|0.168055|0.500000| |2.952549|3.034997|0.078075|3.798302|3.799167|4.425336|5.548039|5.567445|4.445840|39.541193|9.824437|7.101768|9.496944|8.827780|0.212334|17.573717|5.497764|7.966719|6.382521|3.494247|3.521791|0.064149|0.069939|0.073089|0.083594|0.089183|0.070509|0.090186|0.110806|0.161766|0.112193|0.147531|0.300731|0.500000| |2.354150|2.386852|0.062815|2.826337|2.871737|3.273495|3.810962|3.717198|3.155191|29.889030|7.610631|5.880999|7.594842|8.768358|0.211745|17.577363|6.817824|8.957993|9.064239|4.609441|2.846938|0.052997|0.056890|0.058850|0.066364|0.070740|0.058022|0.071404|0.086869|0.108917|0.082315|0.131087|0.300598|0.301697|0.500000| |1.850500|1.912530|0.050885|2.224195|2.309871|2.671038|3.054989|2.872305|2.434986|26.918732|7.091473|5.722666|6.633053|7.477228|0.219808|6.264580|9.430845|10.888640|26.086021|9.010962|2.375413|0.044593|0.048372|0.049233|0.052154|0.054000|0.046595|0.058677|0.074042|0.084929|0.063712|0.126061|0.144530|0.136448|0.204685|0.500000| 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