Version2.4 2021-04-30T11:52:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 31-Oct-2018 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C1CC[C@@H]([C@H](CC1)[NH+](CCO)C2CCCCC2)C[NH3+] C42500271 RHF 6-31G(d) (6D,7F) C1CC[C@@H]([C@H](CC1)[NH+](CCO)C2CCCCC2)C[NH3+] C01[X(C16H34N2O1)] 153 C1 353 OCC[NH+]([C@H]1CCCCC[C@@H]1C[NH3+])C1CCCCC1 OCC[NH+]([C@H]1CCCCC[C@@H]1C[NH3+])C1CCCCC1 [NH3+]C[C@H]1CCCCC[C@@H]1[NH+](CCO)C2CCCCC2 InChIKey=WDVZVFCIDZBNEL-ZBFHGGJFSA-P InChI=1S/C16H32N2O/c17-13-14-7-3-1-6-10-16(14)18(11-12-19)15-8-4-2-5-9-15/h14-16,19H,1-13,17H2/p+2/t14-,16+/m1/s1 InChI=1/C16H32N2O/c17-13-14-7-3-1-6-10-16(14)18(11-12-19)15-8-4-2-5-9-15/h14-16,19H,1-13,17H2/p+2/t14-,16+/m1/s1/fC16H34N2O/h17-18H/q+2 C1CC[C@@H]([C@H](CC1)[NH+](CCO)C2CCCCC2)C[NH3+] C01[X(C16H34N2O1)] 153 C01 353 OCC[NH+]([C@H]1CCCCC[C@@H]1C[NH3+])C1CCCCC1 OCC[NH]([C@H]1CCCCC[C@@H]1C[NH3])C1CCCCC1 [NH3]C[C@H]1CCCCC[C@@H]1[NH](CCO)C2CCCCC2 InChIKey=IFFHFORDOGJARS-ZBFHGGJFSA-N InChI=1S/C16H34N2O/c17-13-14-7-3-1-6-10-16(14)18(11-12-19)15-8-4-2-5-9-15/h14-16,18-19H,1-13H2,17H3/t14-,16+/m1/s1 InChI=1/C16H34N2O/c17-13-14-7-3-1-6-10-16(14)18(11-12-19)15-8-4-2-5-9-15/h14-16,18-19H,1-13H2,17H3/t14-,16+/m1/s1 1702.2139717992 -808.9166506 1-A 5844.2393 75 278 353 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.82519 -15.99060 -15.93447 -11.58148 -11.55124 -11.53611 -11.53222 -11.52642 -11.52603 -11.47862 -11.46403 -11.45702 -11.44953 -11.43845 -11.43601 -11.42687 -11.42113 -11.41738 -11.40508 -1.63269 -1.61292 -1.56686 -1.38242 -1.34462 -1.30540 -1.28817 -1.26712 -1.23189 -1.23033 -1.21397 -1.13834 -1.13024 -1.11374 -1.07710 -1.07133 -1.06162 -1.05135 -1.03620 -0.99261 -0.98823 -0.97861 -0.96125 -0.94383 -0.93357 -0.91913 -0.89419 -0.88114 -0.86621 -0.86122 -0.85708 -0.83586 -0.82699 -0.82186 -0.82062 -0.81325 -0.80714 -0.80369 -0.77689 -0.77489 -0.76092 -0.75763 -0.75515 -0.73751 -0.73261 -0.72447 -0.71682 -0.70853 -0.70420 -0.70038 -0.68069 -0.67475 -0.67278 -0.66208 -0.65514 -0.64728 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -0.10940 -0.05286 -0.04802 -0.03763 -0.02237 -0.01813 -0.00587 -0.00249 0.00544 0.02073 0.02908 0.03378 0.04187 0.04640 0.05724 0.06040 0.06452 0.06663 0.08191 0.08926 0.09260 0.09941 0.10304 0.10488 0.11097 0.11453 0.11720 0.12083 0.12676 0.13162 0.13993 0.14734 0.15091 0.15481 0.15729 0.16536 0.17142 0.17284 0.18084 0.18331 0.18488 0.19005 0.20405 0.20600 0.21543 0.22323 0.23295 0.24218 0.25436 0.25807 0.26243 0.27452 0.28248 0.31028 0.42879 0.44560 0.45142 0.45913 0.46946 0.47430 0.49795 0.51649 0.52508 0.52754 0.54278 0.54464 0.55764 0.56034 0.56849 0.57815 0.59793 0.60005 0.61568 0.62223 0.63887 0.64567 0.66117 0.67398 0.68090 0.68628 0.69168 0.71316 0.72400 0.72822 0.73710 0.75145 0.76746 0.77469 0.77945 0.78829 0.79579 0.80959 0.81296 0.81902 0.82123 0.83062 0.83199 0.84240 0.85692 0.86082 0.86889 0.87527 0.88216 0.88815 0.90065 0.90540 0.91002 0.92245 0.92734 0.93282 0.94663 0.95149 0.95625 0.95987 0.96434 0.97037 0.97510 0.97742 0.98352 0.99168 0.99594 1.00267 1.00592 1.01231 1.01872 1.02812 1.03446 1.04245 1.04469 1.05515 1.06018 1.06615 1.07240 1.09078 1.09483 1.11032 1.11917 1.12776 1.14602 1.15083 1.17120 1.18109 1.20878 1.21018 1.22212 1.22969 1.25712 1.29234 1.30168 1.37220 1.39282 1.39567 1.40802 1.42564 1.44320 1.45642 1.46871 1.50384 1.55485 1.56829 1.58562 1.59509 1.60891 1.63918 1.66414 1.67694 1.70203 1.70975 1.73187 1.75688 1.76289 1.76651 1.79065 1.80341 1.81196 1.82064 1.82173 1.84743 1.85258 1.87950 1.89944 1.91943 1.92563 1.93788 1.94900 1.96323 1.98187 1.98692 1.99056 1.99751 2.00263 2.01604 2.01958 2.02647 2.04784 2.06742 2.07238 2.08606 2.09770 2.10374 2.12789 2.13314 2.14346 2.14957 2.15880 2.16704 2.19050 2.19515 2.22132 2.22422 2.24206 2.25094 2.28717 2.30728 2.31533 2.34059 2.35228 2.37052 2.38496 2.39560 2.40609 2.42959 2.43078 2.44108 2.46030 2.47617 2.48704 2.49909 2.51115 2.51619 2.52142 2.52419 2.53837 2.55965 2.56906 2.57612 2.59946 2.60938 2.61643 2.63881 2.66572 2.69630 2.72978 2.75145 2.76065 2.77695 2.79299 2.80761 2.83059 2.83947 2.84975 2.86095 2.87356 2.91551 2.93439 2.94728 2.95570 3.00213 3.07057 3.87306 4.01925 4.20538 4.34299 4.39131 4.43888 4.45496 4.47872 4.49101 4.54861 4.55160 4.64759 4.70112 4.74295 4.79338 4.79465 4.80074 4.84866 4.89570 14.63634 8.9515 10.4262 2.3435 13.9401 |XX|YY|ZZ|XY|XZ|YZ| -41.0183 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1.6961 1.6251 1.7882 1.9157 1.9288 2.0900 1.8319 1.9063 2.0740 1.9637 1.7223 1.9887 1.9916 2.0390 1.8395 1.7153 1.7115 1.7324 1.7576 1.7542 1.7892 1.7222 1.7609 1.7837 1.7850 1.8118 1.8047 1.8434 1.9975 2.0439 2.0582 6.3742 6.4173 6.4889 6.5045 6.5623 6.5121 6.5236 6.5155 6.5492 6.5035 6.7606 6.7640 6.6061 6.7095 6.9070 6.9514 6.9473 6.7217 6.9210 6.9386 6.9498 6.9902 6.9678 6.9294 7.0621 7.1656 7.3382 7.2163 7.4026 7.9874 8.8858 8.9675 8.8541 10.4615 4.6443 1.7368 1.7303 2.2978 3.8234 0.9872 6.9519 4.1669 0.8503 3.2835 0.9027 1.7385 2.5645 1.8950 0.3731 1.6571 13.6491 1.9910 1.5228 3.1458 28.5750 0.4586 116.2919 17.5901 0.4241 5.6513 2.4889 2.5367 1.9983 2.6477 4.6824 8.9636 4.6096 1.5922 2.1062 6.1479 2.2035 1.9976 2.1293 5.0724 1.0122 12.1394 15.0282 0.2064 12.8799 11.7350 10.8737 44.4645 4.5818 18.7015 14.8704 3.6742 6.6910 30.0360 14.6374 12.8007 17.3866 5.0236 2.6816 7.5052 0.7927 5.7504 27.9679 19.4535 8.1645 2.2807 22.3333 26.0959 3.6350 13.3310 1.9774 10.8374 4.8048 2.1000 3.6806 1.4161 1.7544 11.1988 12.4488 26.1502 41.5654 7.4446 4.2460 5.7827 5.0479 4.0643 5.4123 14.3557 6.7711 2.5911 6.7168 3.9458 5.5021 0.9101 6.7300 5.8626 0.8584 0.7804 15.9730 8.5870 26.5119 29.4928 18.6689 3.4307 14.8574 4.6920 4.8764 5.6306 5.6452 2.4104 13.5138 4.7507 11.1606 7.9061 3.9029 7.5885 231.8008 48.8200 71.8867 38.5528 54.9023 11.6313 8.3109 0.6949 8.9696 12.8843 25.6244 29.8000 17.6219 69.2330 37.5697 18.5907 14.7166 20.8522 13.4997 23.9219 5.2840 16.4583 13.9993 18.8121 21.2020 7.4949 23.3210 25.6570 10.2189 2.9448 8.6012 5.9517 94.6702 129.8673 117.5915 59.2929 183.4783 0.2275 0.3591 0.2253 0.1856 0.2173 0.0632 0.1042 0.0525 0.0845 0.6017 0.3142 0.2250 1.1986 0.5366 0.1170 0.7567 3.2815 0.6796 0.0895 1.1545 1.0157 0.7400 2.1808 1.3848 0.6674 1.9806 3.3311 0.8975 1.8188 0.4379 0.7779 1.5053 3.5817 11.0571 3.0983 8.1481 1.5060 2.4380 4.5408 6.6324 1.7594 2.1036 7.5011 1.6604 5.3307 2.9204 3.5486 1.5901 0.3850 2.5779 2.2502 1.7372 5.7853 15.0383 9.2148 2.0128 2.4170 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0.7485 0.8178 0.6444 0.0610 0.7347 0.0557 0.4518 0.3870 0.5066 0.0400 0.8479 0.3827 0.8571 0.3068 0.2570 0.4622 0.7531 0.7955 0.6204 0.7281 0.6804 0.8457 0.8347 0.7715 0.7238 0.6419 0.8387 0.8563 0.8375 0.8563 0.8535 0.1897 0.6480 0.6731 0.8560 0.8031 0.8521 0.4728 0.2473 0.6565 0.7418 0.6660 0.6052 0.8560 0.8571 0.8518 0.8571 0.8415 0.8062 0.8569 0.8408 0.8027 0.8559 0.7662 0.7512 0.7992 0.7393 0.6732 0.8052 0.8288 0.8396 0.8309 0.8567 0.8367 0.8477 0.5104 0.8475 0.6388 0.8521 0.8563 0.3381 0.7071 0.8337 0.8563 0.8556 0.8571 0.8421 0.8548 0.8544 0.7658 0.8012 0.8287 0.8382 0.8352 0.8571 0.8387 0.8097 0.8468 0.8570 0.4029 0.7054 0.2661 0.2744 0.3466 0.7864 0.5553 0.4251 0.3347 0.2543 0.5953 0.5706 0.2677 0.3956 0.7078 0.8189 0.7000 0.1541 0.5424 0.3382 0.5787 0.5663 0.6428 0.0911 0.5599 0.7557 0.6512 0.2737 0.7414 0.0660 0.8352 0.8377 0.2258 0.4589 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 1 6 1 6 6 7 1 6 6 8 6 6 6 6 6 6 6 7 1 1 1 1 1 1 1 1 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 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 4379.02277 6663.19940 8389.09904 0.99998 0.00549 0.00264 -0.00550 0.99997 0.00567 -0.00261 -0.00568 0.99998 1 0.01978 0.01300 0.01032 0.41213 0.27085 0.21513 58.84 68.25 87.67 105.35 122.79 168.00 178.68 188.87 249.76 280.84 295.14 312.88 320.89 334.23 371.51 395.26 414.71 458.59 507.57 513.24 565.37 572.08 591.22 612.82 678.16 690.77 718.71 769.71 779.99 800.76 815.55 958.57 972.18 1136.11 1193.37 1227.59 1253.33 1255.86 1268.51 1315.02 1334.62 1349.05 1379.09 1391.69 1403.39 1407.05 1422.32 1434.48 1455.80 1477.78 1495.46 1521.10 1542.21 1585.65 1592.13 1604.88 1631.52 1636.28 1658.18 1675.58 1682.45 1701.18 1719.39 1726.53 1737.56 1767.06 1784.08 1788.63 1855.12 1876.88 1905.39 1931.16 1946.29 1964.36 1987.26 2006.31 2026.72 2035.34 2037.20 2057.80 2068.98 2090.61 2100.43 2116.38 2137.08 2155.75 2162.44 2167.17 2177.47 2183.94 2193.38 2203.35 2204.93 2211.00 2216.81 2221.63 2234.29 2240.86 2261.13 2288.73 2307.72 2316.30 2338.84 2348.00 2349.17 2353.45 2358.21 2360.54 2364.87 2368.93 2370.55 2373.20 2388.83 2396.57 2401.40 2428.77 2443.43 2625.41 2634.38 4586.72 4599.29 4607.65 4611.93 4614.63 4620.49 4621.85 4628.45 4636.54 4640.13 4657.26 4657.79 4679.48 4696.38 4703.50 4705.84 4706.09 4711.42 4716.62 4717.00 4718.13 4721.79 4735.87 4752.29 4770.02 4790.96 4821.35 4828.41 4843.13 5209.74 5340.24 5365.80 5377.33 5868.10 0.544012 0.563138 0.564082 0.496968 -808.372638 -808.353513 -808.352569 -808.419682 2.250981D-04 MUNgauss RevisionA2.1 retrievium 30-Apr-2021 DUDE C1CC[C@@H]([C@H](CC1)[NH+](CCO)C2CCCCC2)C[NH3+] C42500271 RHF 6-31G(d) (6D,10F) C1 270.267114 |X|Y|Z| 55.971287 42.731020 29.754304 41.439972 14 6 7 13 1 |36.858105| |12.443368|36.858105| |7.286775|12.412345|36.858105| |5.993880|7.233410|12.271426|36.858105| |5.805307|6.826022|8.761481|17.519864|0.500000| |6.331598|5.933745|7.537023|12.112544|0.244597|36.858105| |6.787173|6.188036|7.755104|8.894054|0.179336|17.716097|0.500000| |7.265266|5.625287|5.656353|7.392385|0.207075|12.374849|0.247376|36.858105| |12.428959|7.458178|5.908340|6.277826|0.189153|7.299233|0.182522|12.341779|36.858105| |4.231982|4.041385|5.001516|7.255577|0.165754|12.404600|0.256522|7.508354|4.822384|53.358707| |3.786700|3.844505|5.028862|7.289046|0.160045|9.192923|0.211821|5.682941|4.104862|25.801487|0.500000| |3.566043|3.382252|3.929964|5.573599|0.148822|7.430688|0.156447|6.544828|4.332987|17.220544|0.265762|36.858105| |2.815849|2.759908|3.223649|4.271351|0.113509|4.955685|0.116171|4.310116|3.232662|10.374013|0.216884|12.516486|36.858105| |2.769555|2.838211|3.467665|4.625813|0.118900|4.858973|0.115897|3.906716|3.058531|9.577665|0.250565|8.131977|13.526911|73.516695| |3.700181|3.418483|4.005741|4.876357|0.114752|7.310578|0.210288|5.565802|3.976049|16.734621|0.264412|7.473302|6.051486|9.657867|36.858105| |3.846139|3.302718|3.571865|4.083071|0.100921|6.085980|0.183516|5.723111|4.185878|9.966259|0.157388|5.741484|4.548456|6.980769|12.473064|36.858105| |3.060275|2.699223|2.883583|3.142267|0.078695|4.159416|0.126939|3.931623|3.186903|6.611549|0.117710|4.142699|3.702772|5.845974|7.635711|12.383805|36.858105| |2.932148|2.671644|2.902533|3.037328|0.074413|3.829651|0.122659|3.416532|2.893853|5.871112|0.111682|3.514318|3.251139|5.476162|6.495509|7.506094|12.453573|36.858105| |2.883904|2.749554|3.143102|3.345034|0.079884|4.111321|0.130790|3.398858|2.836704|6.686086|0.136353|3.823837|3.681471|6.514104|7.588090|6.417288|7.541265|12.451659|36.858105| |3.505473|3.391435|4.102799|4.564198|0.103511|5.942748|0.195645|4.365807|3.468731|10.286243|0.215115|4.989605|4.531270|8.259973|12.443561|7.512101|6.447872|7.515669|12.391990|36.858105| |4.073319|4.852728|7.534602|12.359021|0.249003|7.234041|0.168588|4.907974|4.184274|8.894603|0.224455|5.306160|4.624854|10.199155|4.556587|3.576436|2.892892|2.864844|3.316802|4.501893|36.858105| |3.542917|4.426168|6.247221|7.574417|0.200578|4.826680|0.118800|3.828566|3.571548|5.912113|0.138062|3.926027|3.612021|7.778225|3.345730|2.796598|2.354088|2.345453|2.654091|3.350121|12.582321|53.358707| |2.996735|3.605869|4.802347|5.602598|0.148301|4.046669|0.101724|3.274314|3.026549|5.305206|0.126536|3.614970|3.520211|7.866165|3.108892|2.582787|2.221229|2.228736|2.550742|3.153875|9.070642|25.602119|0.500000| |3.648319|4.824945|6.889363|6.837043|0.177002|4.429045|0.114404|3.579633|3.499230|5.221130|0.118762|3.390897|3.097988|6.461068|3.083353|2.638653|2.248104|2.272376|2.550815|3.174036|8.983835|25.657645|0.325678|0.500000| |3.518291|4.327063|5.594498|6.980024|0.218010|4.570739|0.109400|3.870208|3.678428|5.535090|0.123728|3.889289|3.531055|7.316466|3.112307|2.668535|2.238546|2.190703|2.427210|3.010313|9.018924|25.618431|0.325255|0.325026|0.500000| |17.584253|8.980855|5.443578|4.542109|0.126788|4.677816|0.137387|5.459784|8.925444|4.672844|0.086623|3.013540|2.449670|4.267218|3.104563|3.293637|2.728787|2.622746|2.538569|2.968119|3.350119|4.144185|0.072950|0.087934|0.085003|0.500000| |17.509981|8.761217|6.611659|5.490934|0.137302|6.460517|0.221184|6.838600|8.741807|6.032758|0.109128|3.573333|2.839501|4.948358|4.116210|4.419935|3.506386|3.412114|3.288810|3.995989|3.910715|4.489345|0.078995|0.093960|0.088597|0.305912|0.500000| |8.866030|17.570882|8.988670|5.415580|0.139409|4.660054|0.141515|4.371665|5.482050|4.675327|0.092486|2.891426|2.437151|4.487116|3.049091|2.971678|2.515485|2.551376|2.616709|3.137659|4.108777|5.287136|0.090784|0.121359|0.103590|0.221870|0.210010|0.500000| |8.913615|17.529239|8.869983|6.441810|0.194405|5.038810|0.135545|5.082788|6.954087|4.925737|0.096340|3.196183|2.636131|4.814232|3.019633|2.915174|2.409698|2.355057|2.422993|2.935648|4.556541|6.095185|0.100751|0.135923|0.128332|0.216217|0.173403|0.304952|0.500000| |6.428025|8.804902|17.529933|8.855883|0.173766|7.164211|0.242899|5.107800|5.053325|6.908613|0.144173|3.787440|3.171919|6.100387|4.347560|3.827549|3.132410|3.270227|3.605300|4.803314|6.693298|7.201801|0.120913|0.160377|0.126913|0.137246|0.187425|0.221003|0.174134|0.500000| |5.458255|9.035646|17.518974|8.736679|0.202449|5.481456|0.152207|4.383332|4.616732|5.620176|0.119965|3.417738|2.934906|5.755876|3.385254|3.005084|2.511511|2.555583|2.794915|3.530043|7.260322|9.996171|0.152882|0.264871|0.176354|0.125206|0.137329|0.220966|0.223646|0.306254|0.500000| |6.182299|4.618288|4.564858|5.457925|0.146583|8.919532|0.220482|17.651027|8.878661|9.486274|0.143517|6.136333|4.163503|6.471181|6.075300|7.342160|4.712249|3.863316|3.653453|4.539266|4.048939|4.378121|0.078731|0.084356|0.089124|0.138079|0.180278|0.106197|0.114718|0.122434|0.101492|0.500000| |5.479018|4.652844|4.756428|6.522026|0.205663|8.792854|0.174511|17.602690|8.925797|9.397579|0.149661|7.476794|4.726386|7.332525|4.945886|4.921094|3.533091|3.035631|3.053068|3.822057|4.732700|5.181077|0.091389|0.096220|0.110756|0.124351|0.138837|0.103000|0.125423|0.117099|0.109000|0.305293|0.500000| |8.896110|7.211864|5.717330|6.218021|0.214475|6.129727|0.146449|8.796059|17.546467|5.864833|0.105822|4.086895|3.122942|5.326815|3.464128|3.504338|2.754957|2.528002|2.525147|3.061296|4.231767|5.174094|0.088438|0.103193|0.113278|0.206442|0.173623|0.145966|0.221860|0.128194|0.131494|0.177115|0.229391|0.500000| |8.855763|5.533882|4.463033|4.660404|0.138763|5.511058|0.143993|8.990345|17.590420|5.598410|0.097343|3.862505|2.951885|4.858739|3.601979|4.009938|3.129372|2.786788|2.650581|3.120051|3.409381|4.055501|0.072030|0.081159|0.085447|0.227827|0.201323|0.125029|0.147789|0.111719|0.102265|0.233081|0.207268|0.306762|0.500000| |3.721391|3.610109|4.182591|6.271181|0.184040|7.335199|0.146672|6.873816|4.685040|12.360058|0.216334|17.651171|8.955896|12.810854|5.520562|4.575962|3.433575|3.003634|3.236606|4.148034|5.846804|6.038118|0.110959|0.103874|0.127529|0.087295|0.099343|0.084048|0.097641|0.106627|0.102124|0.161345|0.246736|0.129512|0.113305|0.500000| |3.502450|3.173806|3.499102|4.630983|0.126855|6.365862|0.142453|6.670015|4.377465|12.216993|0.184413|17.668876|8.799147|10.282780|7.018583|6.397476|4.508910|3.592339|3.693265|4.548965|4.190031|4.461618|0.084065|0.081025|0.091311|0.083579|0.098314|0.075955|0.083453|0.094243|0.084302|0.193763|0.217183|0.112100|0.113649|0.301975|0.500000| |2.580721|2.529176|2.879754|3.737388|0.103949|4.145710|0.097658|3.858762|2.998843|7.604565|0.154956|8.979738|17.584296|16.374437|4.592955|3.789677|3.179484|2.788825|3.063154|3.609712|4.000659|4.526385|0.090863|0.079388|0.093106|0.063385|0.071154|0.062235|0.068469|0.077359|0.074013|0.103157|0.122196|0.082312|0.077289|0.223892|0.209036|0.500000| |2.612198|2.525387|2.904894|3.660010|0.095673|4.357206|0.107948|3.848372|2.940153|8.997576|0.183938|8.743957|17.606329|16.444941|6.423922|4.851296|4.147102|3.579613|4.072074|4.759364|3.888614|4.216136|0.084515|0.075825|0.083132|0.063755|0.074630|0.062942|0.066346|0.081360|0.073459|0.108240|0.113006|0.077524|0.076035|0.174006|0.213473|0.302100|0.500000| |2.438904|2.507460|3.012432|3.815458|0.099326|3.927373|0.097209|3.272365|2.653645|7.207247|0.179245|5.957325|9.724785|35.627067|4.538214|3.423792|3.001146|2.853997|3.404316|4.085383|4.716665|5.269930|0.112807|0.090966|0.101333|0.059635|0.068230|0.062972|0.066863|0.083471|0.079723|0.086113|0.095489|0.072564|0.066849|0.150682|0.130314|0.223721|0.228124|0.500000| |3.096543|2.909771|3.371095|4.103286|0.100444|5.518942|0.149563|4.543493|3.367627|12.486486|0.228215|7.546305|7.284834|10.840730|17.641641|8.946805|7.058919|5.851801|7.016149|8.967495|4.078231|4.215280|0.082025|0.078389|0.080696|0.074078|0.093131|0.072881|0.073290|0.099446|0.081986|0.135942|0.120222|0.084135|0.086521|0.148458|0.198867|0.147194|0.249452|0.144966|0.500000| |3.693981|3.127206|3.299621|3.861612|0.099737|5.635603|0.154499|6.017978|4.282363|9.158696|0.142042|6.243407|4.761113|6.871010|8.773694|17.567344|8.826104|5.488306|4.818177|5.469180|3.361404|3.648308|0.068791|0.069651|0.072556|0.089203|0.113205|0.077312|0.078651|0.094490|0.077917|0.228703|0.152703|0.100500|0.117799|0.137269|0.221643|0.113648|0.140158|0.093604|0.213053|0.500000| |4.661572|3.802743|3.986757|4.349313|0.106417|6.627619|0.222041|6.449868|4.891435|8.920637|0.143501|4.963162|3.866919|6.200691|8.816419|17.562671|8.874913|6.830682|5.691732|6.821012|3.610258|3.869291|0.071797|0.075859|0.075322|0.109051|0.158316|0.094971|0.090685|0.120352|0.090771|0.240628|0.141512|0.108471|0.130065|0.117788|0.148680|0.091806|0.109588|0.084677|0.174360|0.301806|0.500000| |2.688174|2.420929|2.607019|2.892163|0.073422|3.712991|0.108351|3.516039|2.847558|6.192803|0.112954|4.145159|3.923351|6.044786|6.889690|8.820780|17.523014|8.827671|6.765018|5.654136|2.744016|3.066982|0.059805|0.059220|0.059754|0.067110|0.083095|0.062613|0.061070|0.077506|0.064140|0.113831|0.091361|0.070030|0.077740|0.094048|0.126389|0.093974|0.128396|0.087684|0.209809|0.214784|0.173961|0.500000| |2.973381|2.567643|2.655196|2.835459|0.072407|3.671694|0.111398|3.676501|3.094299|5.484558|0.097839|3.582555|3.181196|5.022085|5.553695|8.882020|17.586884|8.811565|5.493758|4.843411|2.571561|2.914375|0.056005|0.057260|0.057142|0.075271|0.094730|0.066973|0.064069|0.079210|0.064530|0.124772|0.092066|0.074039|0.086996|0.085237|0.110663|0.078335|0.096929|0.072197|0.143455|0.214791|0.216554|0.304165|0.500000| |2.533771|2.330679|2.501558|2.594028|0.064622|3.147489|0.098089|2.877175|2.499989|4.778319|0.092711|3.002581|2.864903|4.841351|4.879229|5.483286|8.843473|17.583954|8.849741|5.489755|2.485923|2.839787|0.055642|0.056342|0.054391|0.064212|0.080508|0.062524|0.057852|0.077364|0.062357|0.089315|0.072538|0.061611|0.067698|0.072392|0.085649|0.069698|0.088324|0.071565|0.130978|0.123387|0.140079|0.215023|0.211276|0.500000| |3.210715|2.886409|3.078944|3.103679|0.075651|3.891316|0.130077|3.499564|3.058916|5.545993|0.104998|3.267816|2.942727|5.028069|5.659593|6.755965|8.845919|17.516706|8.842105|6.742782|2.852605|3.201869|0.061479|0.064227|0.060980|0.080034|0.107166|0.077609|0.069557|0.098095|0.074644|0.109902|0.084253|0.073222|0.081929|0.079644|0.092419|0.070945|0.087121|0.072378|0.133721|0.139333|0.200897|0.173509|0.214973|0.304026|0.500000| |2.557999|2.457522|2.803799|3.054255|0.074365|3.671697|0.110720|3.097066|2.574471|6.245160|0.130002|3.802910|3.889569|6.832898|6.833495|5.612913|6.758733|8.832410|17.526865|8.840163|3.118762|3.440237|0.068546|0.066675|0.064600|0.063128|0.078990|0.064699|0.061326|0.086898|0.070441|0.091901|0.079705|0.064730|0.067278|0.088385|0.102075|0.089768|0.125117|0.101823|0.207563|0.125683|0.131214|0.197875|0.138909|0.215541|0.173551|0.500000| |2.715430|2.646416|3.027748|3.103849|0.074097|3.621750|0.116126|3.002835|2.599549|5.565080|0.117062|3.245015|3.159984|5.781154|5.529944|4.833118|5.492157|8.802316|17.584797|8.868518|3.126786|3.488045|0.068946|0.069491|0.064552|0.067119|0.085901|0.071440|0.064707|0.098110|0.076177|0.087769|0.075059|0.064936|0.067369|0.078862|0.086178|0.074601|0.094852|0.085378|0.142736|0.106464|0.127807|0.138843|0.123154|0.210932|0.214980|0.304003|0.500000| |4.078416|3.953508|4.822925|4.990493|0.109920|6.459173|0.246188|4.633300|3.819609|9.180248|0.185894|4.446158|3.861762|7.096960|8.786606|6.781375|5.664296|6.779006|8.859688|17.534512|4.637369|4.721806|0.088729|0.093836|0.086025|0.094281|0.134618|0.102649|0.091707|0.168130|0.111815|0.131958|0.107791|0.091873|0.093952|0.108090|0.113863|0.088444|0.108230|0.097572|0.174346|0.139150|0.201264|0.131085|0.126979|0.139359|0.198475|0.174026|0.217016|0.500000| 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