Version2.4 2021-04-30T06:47:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 10-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]1C(=N[C@H](S1)[C@H](Cc2c[nH]c3c2cccc3)[NH3+])C C39779454 RHF 6-31G(d) (6D,7F) C[C@H]1C(=N[C@H](S1)[C@H](Cc2c[nH]c3c2cccc3)[NH3+])C C01[X(C15H20N3S1)] 111 C1 329 CC1=N[C@H](S[C@H]1C)[C@H](Cc1c[nH]c2c1cccc2)[NH3+] CC1=N[C@H](S[C@H]1C)[C@H](Cc1c[nH]c2c1cccc2)[NH3+] C[C@@H]1S[C@@H](N=C1C)[C@@H]([NH3+])Cc2c[nH]c3ccccc23 InChIKey=JDVUKNOQHFSAFE-VZJVUDMVSA-O InChI=1S/C15H19N3S/c1-9-10(2)19-15(18-9)13(16)7-11-8-17-14-6-4-3-5-12(11)14/h3-6,8,10,13,15,17H,7,16H2,1-2H3/p+1/t10-,13-,15+/m0/s1 InChI=1/C15H19N3S/c1-9-10(2)19-15(18-9)13(16)7-11-8-17-14-6-4-3-5-12(11)14/h3-6,8,10,13,15,17H,7,16H2,1-2H3/p+1/t10-,13-,15+/m0/s1/fC15H20N3S/h16H/q+1 C[C@H]1C(=N[C@H](S1)[C@H](Cc2c[nH]c3c2cccc3)[NH3+])C C01[X(C15H20N3S1)] 111 C01 329 CC1=N[C@H](S[C@H]1C)[C@H](Cc1c[nH]c2c1cccc2)[NH3+] [NH3][C@H]([C@@H]1N=C([C@@H](S1)C)C)C[C]1=CN[C]2[C]1[CH][CH][CH][CH]2 C[C@@H]1S[C@@H](N=C1C)[C@@H]([NH3])CC2=CN[C]3[CH][CH][CH][CH][C]23 InChIKey=PNGWJULOEHBPGR-VZJVUDMVSA-N InChI=1S/C15H20N3S/c1-9-10(2)19-15(18-9)13(16)7-11-8-17-14-6-4-3-5-12(11)14/h3-6,8,10,13,15,17H,7H2,1-2,16H3/t10-,13-,15+/m0/s1 InChI=1/C15H20N3S/c1-9-10(2)19-15(18-9)13(16)7-11-8-17-14-6-4-3-5-12(11)14/h3-6,8,10,13,15,17H,7H2,1-2,16H3/t10-,13-,15+/m0/s1 1546.1515300727 -1140.3373334 1-A 7251.2110 73 256 329 |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| -92.06853 -15.84310 -15.71702 -15.69661 -11.44727 -11.43411 -11.42854 -11.39916 -11.38578 -11.37816 -11.37242 -11.34448 -11.34390 -11.34276 -11.34037 -11.33878 -11.33288 -11.32816 -11.32594 -9.07980 -6.76235 -6.76135 -6.75922 -1.47786 -1.41689 -1.40434 -1.24445 -1.23404 -1.20307 -1.18863 -1.13925 -1.10941 -1.09560 -1.07524 -1.05432 -0.99616 -0.95360 -0.93637 -0.93257 -0.92661 -0.91565 -0.88523 -0.85134 -0.83880 -0.81921 -0.79165 -0.77250 -0.76271 -0.75192 -0.73292 -0.72313 -0.71947 -0.70799 -0.70395 -0.70017 -0.69061 -0.68185 -0.67436 -0.67245 -0.65947 -0.64799 -0.64527 -0.61229 -0.61075 -0.58823 -0.57659 -0.57422 -0.55234 -0.53008 -0.49434 -0.48010 -0.40913 -0.39565 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.01920 0.02203 0.03818 0.04717 0.06976 0.09677 0.09995 0.11005 0.11899 0.12254 0.12897 0.13340 0.15323 0.16448 0.16823 0.17520 0.17893 0.18798 0.19062 0.20035 0.20780 0.21143 0.21255 0.22386 0.23058 0.24063 0.24324 0.25499 0.26594 0.27301 0.28682 0.28923 0.30938 0.32463 0.34393 0.34886 0.36049 0.37930 0.39678 0.41095 0.42862 0.43737 0.45297 0.46459 0.46967 0.49404 0.52519 0.54523 0.56011 0.57365 0.59368 0.59717 0.60887 0.61718 0.62612 0.64634 0.65198 0.65926 0.66386 0.67404 0.68175 0.69464 0.70209 0.71110 0.72050 0.72833 0.73471 0.74283 0.74525 0.75107 0.75610 0.76252 0.76511 0.77820 0.79040 0.79400 0.80455 0.81934 0.83072 0.84105 0.85872 0.87321 0.88526 0.89144 0.89554 0.90211 0.92742 0.95094 0.96075 0.96391 0.97017 0.98465 0.98545 0.99343 1.00070 1.00474 1.01390 1.02134 1.02328 1.02832 1.03420 1.04490 1.04510 1.04962 1.05785 1.06154 1.06613 1.07063 1.08233 1.08798 1.09318 1.10668 1.12001 1.12241 1.13364 1.13996 1.15505 1.15934 1.16731 1.16762 1.18385 1.18692 1.19662 1.21375 1.22708 1.25246 1.26236 1.28009 1.30830 1.33337 1.36202 1.39397 1.40987 1.43318 1.45701 1.47885 1.48970 1.50451 1.51438 1.53644 1.55285 1.58280 1.58660 1.59576 1.60550 1.61363 1.62141 1.64300 1.65246 1.67817 1.68938 1.69675 1.71778 1.75408 1.76409 1.78246 1.80351 1.85460 1.88414 1.89491 1.89508 1.94456 1.96377 1.99463 2.00284 2.01707 2.02821 2.05089 2.06821 2.07701 2.08182 2.09623 2.11535 2.13205 2.13669 2.15333 2.16835 2.18470 2.19516 2.20785 2.23660 2.24028 2.25898 2.27586 2.29122 2.29451 2.31100 2.32435 2.35328 2.36334 2.38441 2.39423 2.40032 2.43387 2.43971 2.46129 2.47385 2.47747 2.49008 2.50842 2.51512 2.53138 2.54431 2.56309 2.56801 2.57807 2.61232 2.63304 2.63756 2.66062 2.70136 2.71175 2.72278 2.74817 2.76259 2.78289 2.82547 2.84615 2.84699 2.85902 2.89286 2.92339 2.93334 2.96405 2.97787 2.98186 3.01754 3.03510 3.07026 3.13753 3.19893 3.24393 3.26305 3.31027 3.42337 3.53152 3.75435 4.06723 4.24689 4.36839 4.38092 4.39984 4.43156 4.45265 4.49030 4.53425 4.55349 4.57700 4.64334 4.67856 4.71546 4.73586 4.80385 4.86637 4.88712 5.13374 11.28855 2.3316 -1.5384 3.6813 4.6212 |XX|YY|ZZ|XY|XZ|YZ| -56.7459 -100.9829 -116.1465 12.4623 -2.3597 3.5423 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3.0761 2.0220 2.0384 2.2632 1.6409 1.4377 2.0214 1.4541 1.5599 1.5965 2.4614 1.6011 1.3803 2.3906 1.4882 1.7474 1.6156 1.9705 1.5202 1.4936 1.9097 1.5937 1.3335 1.3258 1.2205 2.2517 1.0523 1.0472 1.4280 1.5396 1.0497 1.0432 1.1948 2.6980 5.0641 5.2642 1.0498 5.3788 1.0492 9.7262 1.0387 1.0371 1.0630 1.0851 1.0891 1.1007 1.1012 1.1039 1.0897 1.1038 1.1029 1.0899 1.0895 1.0946 1.0979 1.0992 1.0319 1.0955 1.0948 1.0819 0.0018 0.0038 0.0074 0.0119 0.0179 0.0383 0.0201 0.0791 0.0914 0.1070 0.1404 0.0521 0.0602 0.0887 0.0872 0.2135 0.2582 0.3844 0.3019 0.3493 0.2438 0.4113 0.4872 0.4971 0.9360 1.0073 0.9842 0.7847 0.8302 1.5825 1.1034 1.1892 1.5907 1.9587 1.7158 0.9861 0.6587 1.8483 1.2831 2.5048 0.7984 0.8107 0.9091 1.5119 0.9000 1.1561 0.9816 1.5918 0.9752 1.6347 1.3964 2.4749 1.6534 1.6877 1.9230 1.4114 1.2677 1.7877 1.3332 1.4452 1.6468 2.6426 1.7444 1.5334 2.7244 1.7243 2.0510 1.9271 2.4159 1.9473 1.9602 2.5334 2.2305 1.8929 1.9124 1.7727 3.3356 1.6152 1.6208 2.2156 2.3992 1.6545 1.6615 1.9255 4.3947 8.9798 9.7824 2.0142 10.5238 2.0745 20.9045 6.3432 6.3473 6.5222 6.7148 6.8451 6.9364 6.9782 7.0628 7.0015 7.0956 7.2234 7.1532 7.3073 7.3853 7.4713 7.6457 7.9391 8.8804 8.9766 9.7146 1.1497 0.9617 1.5978 2.2502 5.8273 0.6408 1.3420 4.8742 4.2809 15.3577 11.6946 0.2221 2.9176 3.4770 6.0299 50.4078 8.1000 6.0274 2.6959 43.6606 48.4297 10.9338 30.3632 12.8002 0.7358 1.9676 3.7624 9.4211 5.5794 12.1968 2.3655 1.6677 3.3684 9.7419 11.0112 17.1358 66.3396 3.4069 14.8821 0.0337 1.7591 11.0346 4.3734 71.1378 1.9018 24.9980 6.6804 2.1103 0.2257 7.3556 1.4423 8.4008 48.3045 8.5362 4.2504 56.8146 4.0755 23.1499 6.5075 18.7122 5.7478 28.3196 38.4227 8.1463 10.4497 2.4374 22.7660 24.3125 2.7639 10.5121 4.8160 3.9804 15.6478 7.4733 8.0395 4.5467 37.9753 17.9573 13.5848 23.6246 21.0685 6.9670 8.7342 165.5333 3.9869 35.5201 3.1914 81.1117 8.3311 82.3469 132.3849 1.4189 19.8331 14.8589 4.4409 3.6779 6.8039 7.7923 22.6462 5.0196 10.0899 4.8242 19.7120 0.1475 15.7599 13.1609 0.2943 42.1272 201.2612 144.8324 151.3451 1.3838 5.2073 3.6932 1.9591 0.5582 2.5304 0.4349 1.2876 1.1112 2.0225 1.2071 0.2221 1.4924 0.3216 0.3604 0.4970 2.0045 1.6898 2.4742 1.3182 0.0146 0.6189 4.4695 4.8836 4.2613 7.0584 3.7392 2.0494 1.8147 6.5880 1.6089 20.1446 4.3400 15.5609 4.9461 3.2896 0.8203 3.0047 4.3843 6.4858 1.2623 1.2756 2.9665 6.0509 0.3851 6.2338 5.8406 14.8300 0.6444 2.1001 7.9003 1.9064 2.4787 4.5788 4.3410 1.3495 4.3733 2.3573 15.1521 8.5355 2.7845 4.2343 15.5572 3.0914 35.5646 11.1562 4.1808 15.6822 12.7561 3.4304 18.1510 23.5502 3.4345 5.0150 3.2981 3.0670 45.5964 24.1257 19.1370 5.5575 7.5908 4.4003 17.6347 9.1917 2.4257 56.2196 22.3913 16.2961 15.2988 3.6545 21.3233 27.4344 201.2358 57.0658 111.0941 46.1827 81.7593 79.4983 69.8704 52.9927 66.0869 65.4843 57.1017 72.5763 75.4668 243.0013 85.4800 105.6210 28.0973 23.9503 115.9541 0.7175 0.7492 0.7404 0.7241 0.6095 0.6943 0.5225 0.4842 0.4956 0.6846 0.5249 0.3817 0.1462 0.4453 0.4024 0.3473 0.3635 0.5227 0.2783 0.7289 0.4274 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0.7360 0.5165 0.7356 0.5705 0.7487 0.5439 0.3495 0.8519 0.5831 0.4354 0.8477 0.3206 0.6546 0.7097 0.4867 0.4121 0.6880 0.6943 0.4981 0.5390 0.8046 0.8124 0.8259 0.7468 0.8257 0.8434 0.8565 0.7713 0.8533 0.8023 0.3376 0.6739 0.3791 0.4814 0.7407 0.8529 0.8061 0.4852 0.1525 0.0322 0.0726 0.4854 0.3274 0.7535 0.8559 0.6187 0.2807 0.8528 0.8203 0.6119 0.7033 0.8571 0.2412 0.4999 0.1879 0.6901 0.8487 0.3955 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 7 6 1 16 6 1 6 6 6 7 1 6 6 6 6 6 6 7 1 1 1 6 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 1.00783 31.97207 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 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 2264.8273 11187.3998 12042.4512 0.99998 0.00477 0.00508 -0.00484 0.99990 0.01336 -0.00502 -0.01339 0.99990 1 0.03824 0.00774 0.00719 0.79686 0.16132 0.14986 38.21 53.46 76.60 101.29 131.68 181.97 239.25 270.38 301.12 324.55 349.01 360.29 393.37 426.11 431.46 462.65 523.09 532.96 581.47 680.82 700.10 716.64 732.27 744.59 833.81 861.76 907.65 917.81 960.26 995.20 1030.11 1105.41 1164.68 1177.25 1181.48 1217.19 1220.83 1232.44 1278.45 1369.96 1392.72 1404.00 1441.93 1508.90 1539.39 1545.81 1562.94 1599.97 1609.49 1629.80 1636.25 1681.31 1694.98 1705.56 1727.79 1738.39 1760.09 1762.75 1794.82 1804.22 1903.73 1942.21 1956.46 1975.65 2001.02 2017.65 2030.75 2047.14 2075.46 2121.43 2147.37 2158.92 2217.53 2233.24 2251.21 2259.00 2281.38 2322.25 2331.89 2334.81 2339.92 2353.29 2365.53 2379.49 2392.26 2496.02 2555.19 2596.39 2621.87 2635.68 2748.00 4632.03 4637.19 4643.00 4662.87 4699.21 4705.35 4718.45 4741.24 4751.26 4752.53 4797.12 4801.98 4854.35 4868.88 4889.80 4943.62 5199.08 5336.71 5367.34 5616.71 0.359528 0.376404 0.377348 0.313727 -1139.977805 -1139.960930 -1139.959986 -1140.023607 2.133859D-04 MUNgauss RevisionA2.1 retrievium 30-Apr-2021 DUDE C[C@H]1C(=N[C@H](S1)[C@H](Cc2c[nH]c3c2cccc3)[NH3+])C C39779454 RHF 6-31G(d) (6D,10F) C1 274.137795 |X|Y|Z| 31.242840 22.271746 76.019997 37.538554 16 6 7 16 13 2 1 |36.858105| |12.458731|36.858105| |8.886539|17.555353|0.500000| |7.398834|12.511006|0.248990|36.858105| |5.275715|7.936427|0.177774|15.138248|53.358707| |4.862641|7.314917|0.169543|8.357676|17.956128|36.858105| |4.128488|6.039789|0.158953|6.608236|12.539082|17.590676|0.500000| |6.814083|10.437090|0.220315|7.236686|9.753118|10.389648|0.218222|388.023441| |3.810944|4.860950|0.115365|5.485766|10.683008|12.472851|0.250700|47.990854|36.858105| |3.311722|4.146320|0.101998|4.963033|9.896763|8.978852|0.220238|36.108492|17.623549|0.500000| |3.236505|3.918036|0.097357|3.991517|6.759555|7.327924|0.186978|40.878660|12.421791|0.245699|36.858105| |2.696643|3.085718|0.077332|3.198833|5.234727|4.856741|0.125492|29.007708|7.531494|0.190519|12.665752|36.858105| |2.311198|2.626716|0.067273|2.777464|4.520744|3.956924|0.107370|23.215742|5.603000|0.164114|7.436420|14.052807|36.858105| |2.084423|2.298503|0.058874|2.415991|3.815482|3.194611|0.085377|19.710389|4.255944|0.122410|5.162648|8.542378|13.986125|53.358707| |1.888537|2.069820|0.053537|2.181650|3.410405|2.793583|0.075722|17.329684|3.567894|0.104610|4.145691|5.989031|9.085653|26.081439|0.500000| |2.186555|2.362594|0.059742|2.442612|3.788874|3.169319|0.082172|20.465892|4.196779|0.113683|5.082998|8.333404|8.545712|18.921435|0.250847|36.858105| |2.575534|2.813116|0.069939|2.866331|4.486815|3.922046|0.098707|25.668462|5.470919|0.136905|7.217227|13.141372|8.491162|11.604213|0.165633|13.608632|36.858105| |2.735756|2.880135|0.070741|2.845102|4.286380|3.678180|0.090431|26.278574|4.733345|0.113668|5.711495|7.242845|5.242128|7.292175|0.118634|7.883768|13.564142|36.858105| |2.395676|2.451031|0.060934|2.426808|3.573760|2.936612|0.073481|21.170744|3.582305|0.090044|4.064063|5.000607|4.171315|6.325043|0.109386|6.929571|7.959983|13.873831|36.858105| |2.073312|2.136591|0.053858|2.155174|3.193804|2.580521|0.065923|17.962059|3.146762|0.082548|3.538156|4.542421|4.187841|7.025634|0.126312|8.048751|6.862089|7.879751|13.550774|36.858105| |1.995147|2.101063|0.053319|2.155088|3.256923|2.645106|0.068543|17.686164|3.310934|0.089506|3.788424|5.253240|5.296818|10.335497|0.184923|13.656610|7.784984|6.742825|7.862835|13.872288|36.858105| |4.009684|4.675797|0.106078|5.319618|9.288871|7.759490|0.156771|42.036480|12.627016|0.256183|7.642545|6.512288|4.884265|5.626850|0.096206|4.413496|5.842849|5.530331|4.181812|3.556936|3.606998|53.358707| |3.357268|3.756474|0.088355|4.163541|6.934778|5.684815|0.127056|32.968040|9.088401|0.218832|7.228859|7.619249|5.664104|6.765092|0.112419|5.523234|7.460877|6.685088|4.954505|4.248686|4.382696|25.616857|0.500000| |4.140804|4.791174|0.107768|6.006679|10.642197|7.161150|0.146864|37.785364|9.153698|0.229522|5.658760|5.002635|4.123757|4.894729|0.086489|3.752118|4.586843|4.402092|3.579632|3.142660|3.185553|25.660547|0.320139|0.500000| |4.606194|5.160032|0.113244|5.376434|8.462821|7.214222|0.144942|48.975884|9.115002|0.181349|6.840037|5.697279|4.222689|5.023509|0.086654|4.094034|5.539302|5.901197|4.416550|3.573754|3.465914|25.630357|0.323029|0.323879|0.500000| |6.143229|7.283034|0.177545|12.691172|10.773590|5.145618|0.125456|33.222402|4.006601|0.107338|3.093368|2.632728|2.364328|2.874136|0.053869|2.129901|2.421115|2.413394|2.127336|1.923451|1.920132|5.569902|0.094836|0.132624|0.113278|36.858105| |17.580266|8.812949|0.215926|6.600458|6.339471|4.085380|0.100160|36.085085|3.271631|0.081823|2.790342|2.377328|2.083489|2.578784|0.048177|1.970831|2.273490|2.389397|2.131762|1.876630|1.814078|4.655186|0.081344|0.100457|0.104993|6.601201|0.500000| |17.593467|8.827495|0.211599|5.448830|5.846803|4.275624|0.104319|45.690511|3.453694|0.083001|3.089112|2.585215|2.212260|2.729438|0.050534|2.115358|2.492957|2.684002|2.364074|2.034337|1.942465|4.857666|0.085115|0.098816|0.114910|4.600985|0.302825|0.500000| |17.570216|8.759656|0.173212|6.765399|7.035543|4.724872|0.107793|44.572590|3.945900|0.094625|3.316872|2.822439|2.397633|2.974811|0.054755|2.328104|2.758359|2.990131|2.627264|2.247399|2.137675|6.082912|0.103746|0.129896|0.148109|5.788148|0.300246|0.301577|0.500000| |3.481480|4.138435|0.102179|3.931838|6.263317|6.761159|0.168090|47.305229|8.808447|0.173466|17.548935|8.917387|5.653292|5.987140|0.100247|4.637443|6.761130|6.178587|4.287572|3.557552|3.632606|9.223032|0.173781|0.141139|0.195937|3.026042|0.081595|0.094804|0.099007|0.500000| |2.991806|3.680970|0.095268|3.738742|6.291432|6.763745|0.202394|36.995055|9.001079|0.216521|17.563964|8.892262|6.890713|6.395475|0.109308|4.334974|5.495431|4.441218|3.389485|3.058834|3.319991|7.613327|0.146310|0.127164|0.140997|2.934065|0.072843|0.079960|0.082848|0.304692|0.500000| |2.204534|2.536290|0.066008|2.710653|4.440414|3.846499|0.109004|21.948050|5.179417|0.161845|6.421019|8.670464|17.778855|12.251493|0.213664|5.885935|5.775856|4.077349|3.379099|3.409280|4.179759|5.816836|0.130179|0.104391|0.102483|2.324931|0.055751|0.058486|0.062663|0.135858|0.189004|0.500000| |3.141775|3.284003|0.079497|3.139308|4.653099|4.079088|0.098085|31.279095|5.046702|0.114974|6.000858|6.399107|4.533406|5.890775|0.098818|5.598634|8.786956|17.676207|8.962509|5.616467|4.882051|8.090585|0.181490|0.128917|0.195398|2.607834|0.074546|0.086566|0.096078|0.201157|0.127565|0.102554|0.500000| |2.402488|2.396569|0.059594|2.335671|3.362932|2.724903|0.068090|20.355633|3.189996|0.079813|3.515065|4.028200|3.407533|5.012518|0.089585|4.982664|5.649576|8.970144|17.729001|8.877394|5.630558|5.089383|0.117644|0.091099|0.113361|2.067031|0.059455|0.066567|0.073728|0.105504|0.082950|0.079488|0.216494|0.500000| |1.906913|1.939739|0.049203|1.951770|2.854003|2.268690|0.058325|15.955723|2.687700|0.071122|2.952899|3.617385|3.423233|5.631413|0.106520|5.691406|4.947695|5.636905|8.878509|17.731751|8.988410|4.112758|0.097482|0.076088|0.084880|1.768202|0.048385|0.052174|0.057367|0.082884|0.072501|0.080378|0.124139|0.215630|0.500000| |1.802833|1.894755|0.048524|1.953711|2.939013|2.351481|0.061733|15.632517|2.879541|0.079553|3.225836|4.289824|4.616012|9.124005|0.187891|8.824883|5.566720|4.884502|5.599308|8.912298|17.722621|4.193414|0.101405|0.077597|0.081678|1.765189|0.046004|0.048747|0.053334|0.085242|0.081033|0.106750|0.106328|0.123793|0.215271|0.500000| 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