Version2.0 2020-07-30T13:19:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 05-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[NH2+][C@H]1CC([C@H]2[C@@]1(CC[C@](C2)(C)O)CCC(=O)NCc3ccco3)(C)C C12531709 RHF 6-31G(d) (6D,7F) CC(C)[NH2+][C@H]1CC([C@H]2[C@@]1(CC[C@](C2)(C)O)CCC(=O)NCc3ccco3)(C)C C01[X(C23H39N2O3)] 195 C1 498 O=C(NCc1ccco1)CC[C@@]12CC[C@](C[C@H]2C(C[C@@H]1[NH2+]C(C)C)(C)C)(C)O O=C(NCc1ccco1)CC[C@@]12CC[C@](C[C@H]2C(C[C@@H]1[NH2+]C(C)C)(C)C)(C)O CC(C)[NH2+][C@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@]12CCC(=O)NCc3occc3 InChIKey=VOLKGPJAROKQFZ-ZZTDLJEGSA-O InChI=1S/C23H38N2O3/c1-16(2)25-19-14-21(3,4)18-13-22(5,27)10-11-23(18,19)9-8-20(26)24-15-17-7-6-12-28-17/h6-7,12,16,18-19,25,27H,8-11,13-15H2,1-5H3,(H,24,26)/p+1/t18-,19-,22-,23-/m0/s1 InChI=1/C23H38N2O3/c1-16(2)25-19-14-21(3,4)18-13-22(5,27)10-11-23(18,19)9-8-20(26)24-15-17-7-6-12-28-17/h6-7,12,16,18-19,25,27H,8-11,13-15H2,1-5H3,(H,24,26)/p+1/t18-,19-,22-,23-/m0/s1/fC23H39N2O3/h24-25H/q+1 CC(C)[NH2+][C@H]1CC([C@H]2[C@@]1(CC[C@](C2)(C)O)CCC(=O)NCc3ccco3)(C)C C01[X(C23H39N2O3)] 195 C01 498 O=C(NCc1ccco1)CC[C@@]12CC[C@](C[C@H]2C(C[C@@H]1[NH2+]C(C)C)(C)C)(C)O CC([NH2][C@H]1CC([C@H]2[C@]1(CCC(=O)NCC1=[CH][CH]=CO1)CC[C@](C2)(C)O)(C)C)C CC(C)[NH2][C@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@]12CCC(=O)NCc3occc3 InChIKey=XXMWNACDKYJYGM-ZZTDLJEGSA-N InChI=1S/C23H39N2O3/c1-16(2)25-19-14-21(3,4)18-13-22(5,27)10-11-23(18,19)9-8-20(26)24-15-17-7-6-12-28-17/h6-7,12,16,18-19,27H,8-11,13-15,25H2,1-5H3,(H,24,26)/t18-,19-,22-,23-/m0/s1 InChI=1/C23H39N2O3/c1-16(2)25-19-14-21(3,4)18-13-22(5,27)10-11-23(18,19)9-8-20(26)24-15-17-7-6-12-28-17/h6-7,12,16,18-19,27H,8-11,13-15,25H2,1-5H3,(H,24,26)/t18-,19-,22-,23-/m0/s1/f/h24H 2839.1979487962 -1226.9591889 1-A 15744.3952 107 391 498 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 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11.47440
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 6.5747 15.1646 27.1181 32.2406 34.8224 44.7723 52.7445 66.7902 69.1895 81.2729 131.2877 143.2781 151.7869 171.9728 185.2525 195.6901 212.5115 229.8922 248.3285 258.0555 266.5532 275.0505 284.5734 286.7767 290.1244 301.5978 308.5443 324.3806 332.6466 334.4927 346.4957 369.5191 382.1149 404.6761 415.0590 433.5886 449.2087 460.2878 468.2877 489.2794 510.7880 520.2052 526.8519 543.9109 572.7034 581.3200 613.7809 639.0645 655.3037 657.8829 678.7298 703.5090 744.9861 781.9075 804.8848 827.8798 843.9321 863.1002 866.2664 881.0022 916.0301 929.7922 945.8282 953.0199 970.6419 985.5882 1002.0828 1011.0746 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3240.3441 3264.8881 3266.5369 3269.6002 3270.3735 3273.9676 3280.2470 3281.4408 3282.5859 3286.3290 3290.5704 3294.6235 3298.2991 3301.4768 3305.9142 3307.9986 3311.1448 3312.2524 3321.9726 3324.1841 3439.0618 3451.7549 3486.2270 3682.0562 3744.8661 3877.2075 4093.3620 5.1076 4.0574 4.4071 4.5197 3.9384 4.8072 2.8170 3.9898 3.0265 3.5458 3.3064 3.6842 3.9422 3.8186 3.3769 2.8471 2.9910 2.8495 1.2519 1.9164 1.2196 1.5456 4.0411 1.2122 1.9014 1.7500 2.4459 2.3065 1.3612 1.5380 1.4829 2.3419 2.4151 2.4709 2.3313 2.4845 2.1501 2.3018 2.0441 1.4072 2.3816 3.1988 2.5592 2.9861 3.2241 2.6035 3.5019 2.6173 2.5935 2.8184 3.2603 3.4711 4.0431 3.3094 2.3745 2.5625 3.3130 1.2825 2.4668 2.0370 1.7569 2.3522 1.3129 2.3136 6.2643 2.5056 2.2624 2.0991 1.5064 1.9085 2.8243 1.3279 1.5280 1.7687 1.6575 1.8078 3.9923 2.0256 1.7687 1.8686 2.1025 1.5729 1.8531 1.9015 2.6968 1.6912 2.2928 2.6772 2.1193 1.9455 3.0702 1.7326 2.0514 1.9544 2.0983 1.7530 1.6960 1.7498 1.4602 1.8562 1.9917 1.8932 1.6041 1.8062 1.9740 1.9782 1.9485 1.6252 1.3436 1.4256 1.3059 1.4179 1.5613 1.2715 1.3950 1.4241 1.3407 1.2996 1.5426 1.4782 1.4741 1.5161 1.3988 1.2809 2.0971 1.3556 1.3096 1.4117 1.3380 1.3351 1.5428 1.2572 1.2476 1.2625 1.0490 1.0987 1.0883 1.0797 1.0727 1.0774 1.0641 1.0595 1.0710 1.0835 1.0808 1.0768 1.0465 1.0893 1.0788 1.0736 1.0614 3.3164 2.6191 1.0745 6.3806 9.2327 1.0768 1.0580 1.0478 1.0408 1.0391 1.0613 1.0547 1.0720 1.0432 1.0597 1.0693 1.0944 1.0642 1.0974 1.0987 1.0974 1.0996 1.0985 1.0990 1.0993 1.1015 1.0966 1.1036 1.0976 1.0965 1.0966 1.0952 1.0936 1.0996 1.0869 1.1023 1.0949 1.0953 1.0978 1.1067 1.0563 1.0935 1.0793 1.0669 0.0001 0.0005 0.0019 0.0028 0.0028 0.0057 0.0046 0.0105 0.0085 0.0138 0.0336 0.0446 0.0535 0.0665 0.0683 0.0642 0.0796 0.0887 0.0455 0.0752 0.0511 0.0689 0.1928 0.0587 0.0943 0.0938 0.1372 0.1430 0.0887 0.1014 0.1049 0.1884 0.2078 0.2384 0.2366 0.2752 0.2556 0.2873 0.2641 0.1985 0.3661 0.5100 0.4185 0.5205 0.6230 0.5184 0.7773 0.6298 0.6562 0.7187 0.8849 1.0122 1.3221 1.1921 0.9063 1.0348 1.3902 0.5629 1.0906 0.9315 0.8686 1.1981 0.6920 1.2381 3.4773 1.4340 1.3385 1.2643 0.9125 1.1705 1.7374 0.8287 0.9548 1.1184 1.0587 1.1748 2.6489 1.3504 1.2012 1.2852 1.4540 1.1323 1.3469 1.4008 2.0523 1.2899 1.7763 2.1908 1.7860 1.6520 2.6485 1.5145 1.8224 1.7909 1.9997 1.6829 1.6304 1.6951 1.4320 1.8793 2.0805 1.9940 1.6977 1.9309 2.1205 2.1376 2.1389 1.8318 1.5554 1.6850 1.5592 1.7001 1.9127 1.5819 1.7576 1.8197 1.7498 1.7080 2.0577 1.9932 2.0202 2.0952 1.9665 1.8042 2.9872 1.9337 1.8796 2.0383 1.9430 1.9527 2.2585 1.8564 1.8459 1.9066 1.6238 1.7138 1.7013 1.6981 1.6898 1.7050 1.6874 1.6838 1.7059 1.7282 1.7351 1.7297 1.6821 1.7557 1.7413 1.7529 1.7416 5.6820 4.5572 2.0903 12.5254 20.3644 6.2946 6.3769 6.3375 6.3283 6.3215 6.4643 6.4404 6.5506 6.3942 6.5050 6.5806 6.7406 6.5834 6.8920 6.9075 6.9122 6.9292 6.9374 6.9676 6.9741 6.9929 6.9777 7.0406 7.0194 7.0284 7.0426 7.0520 7.0508 7.1027 7.0253 7.1672 7.1282 7.6327 7.7067 7.9250 8.4377 9.0354 9.5592 10.5323 1.2519 2.0502 1.2160 2.7249 1.0001 3.3433 0.6853 4.3165 1.6943 0.3884 1.2552 0.0629 1.0561 6.0887 4.0886 2.7896 3.9445 4.0036 0.7740 1.7940 1.6174 1.3387 12.3584 0.3745 1.6590 4.0394 5.8376 12.9850 53.1772 62.7699 3.2535 3.0022 5.6631 8.9813 0.7395 1.8891 1.0824 3.3039 3.3128 75.5472 16.9869 12.9834 17.3488 2.5123 9.3324 1.9848 8.6091 3.5312 2.5456 8.8341 12.1723 3.2288 14.9221 0.6719 3.2713 1.4029 3.0521 55.1129 3.5910 4.1000 16.0813 4.1365 14.5910 7.7368 6.6788 1.5800 1.5700 11.5710 4.1995 2.5422 26.0669 3.8102 0.9806 5.9269 6.9212 1.4968 16.9728 50.8605 3.6213 5.5186 16.2415 12.5097 0.4919 3.0805 3.4448 6.5046 0.9234 5.8526 13.7339 24.6523 12.0993 4.0877 15.5640 9.4982 2.8517 29.8719 9.4108 29.4340 2.8270 6.1877 4.2214 22.4107 13.0781 47.1574 72.2005 89.7863 13.0034 16.1295 13.4105 11.0911 7.2934 3.6980 36.1610 12.9653 27.1413 48.0944 0.9011 9.1725 17.5678 5.8320 7.3968 3.0963 1.7381 11.1367 0.8416 5.5340 5.9464 48.3356 26.2776 14.7535 33.3367 52.2362 8.8244 54.9301 1.9253 11.0923 1.5530 7.2795 3.8971 0.1512 4.3618 4.5555 5.9900 8.0344 14.1432 3.9543 18.7815 2.2341 4.3204 10.3677 1.7847 336.7097 329.2526 67.5721 1.2981 299.9548 72.7148 20.5352 34.9281 4.3278 11.3723 11.5538 26.1400 32.8177 6.9063 24.9991 14.6996 49.7093 12.9459 15.4047 41.2072 2.2755 2.9991 12.9608 14.6126 35.5167 30.1774 20.6504 10.5566 9.9313 13.6284 14.0425 41.0997 43.7795 22.6189 30.6696 18.1980 6.0096 4.3706 0.4627 1.4248 28.3825 50.6201 51.4121 58.9438 0.9115 1.2963 0.3889 0.9280 0.2084 3.4546 0.3819 0.5860 0.9420 0.3400 0.1049 0.8092 0.4783 0.7520 0.7056 0.4972 0.7916 0.9312 0.4633 0.7488 0.1554 0.2930 1.6217 0.3014 0.6541 0.6198 2.0971 2.5038 2.2912 1.0050 0.4040 0.3872 1.2489 0.4466 0.4792 0.8272 0.6372 1.6919 0.7040 1.2017 0.7223 1.7461 0.6954 1.4036 1.9189 5.8727 3.6760 3.6103 0.9203 1.0749 2.0332 2.6086 3.2471 5.3681 4.1409 2.6657 2.7977 1.8419 10.3862 2.9735 1.3580 6.2982 2.2765 2.3125 5.5727 4.1848 2.1319 6.7785 2.7730 4.2589 1.9011 1.7905 3.9386 2.5493 6.9944 7.1438 18.4897 2.1210 3.2861 2.1641 0.6718 2.5322 3.0146 3.2630 2.9112 3.5577 3.2216 8.3948 14.2568 6.5336 9.5613 2.1507 4.5190 0.3628 5.9079 4.8544 3.3600 3.2500 2.8911 3.0171 5.5869 2.9943 10.9560 4.8301 7.4152 8.4742 5.6230 1.6248 3.6004 12.4409 2.7130 1.6652 4.6649 4.7415 3.0769 2.5117 2.4687 6.6768 6.7312 2.9486 2.6687 3.2804 7.0882 2.4580 5.7146 11.9553 2.3992 2.4791 1.3743 2.9292 1.9165 4.9226 0.9659 0.9371 12.8379 4.3646 9.7629 13.9304 9.2408 10.8082 5.6935 20.0153 9.2114 13.2935 9.4102 12.8389 6.8383 3.5634 8.4714 20.9651 0.3912 32.2181 55.2232 5.2665 30.5296 3.7557 59.8719 9.6909 127.5868 11.0970 59.0909 17.6130 18.6068 101.7813 120.5194 131.5460 226.2230 49.5526 16.1587 65.4249 65.3053 34.5156 27.0386 20.0787 42.8708 123.4746 7.0309 28.2704 40.1543 32.9706 46.6319 84.1144 63.8739 54.4397 156.7327 35.4934 39.6491 32.5260 72.8767 79.9929 112.9450 28.1001 14.7133 25.2670 86.2192 0.7499 0.7438 0.7069 0.7396 0.7496 0.7500 0.7379 0.7154 0.7409 0.7205 0.2153 0.3930 0.1481 0.7426 0.4915 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MUNgauss RevisionA2.0 retrievium 30-Jul-2020 DUDE CC(C)[NH2+][C@H]1CC([C@H]2[C@@]1(CC[C@](C2)(C)O)CCC(=O)NCc3ccco3)(C)C C12531709 RHF 6-31G(d) (6D,10F) C1 391.296068 |X|Y|Z| 56.362558 39.797769 104.803126
61.717437 19 6 7 8 17 1 1
|36.858105| |12.492089|36.858105| |7.508373|12.517340|36.858105| |7.748111|12.566265|7.603951|53.358707| |7.159456|9.179822|7.024995|25.698579|0.500000| |7.521145|9.301423|5.688099|25.734405|0.331450|0.500000| |4.905432|7.295854|6.045904|17.060415|0.254299|0.256236|36.858105| |4.742477|7.359090|6.250895|12.480277|0.184268|0.204812|17.628918|0.500000| |3.991504|5.441708|5.573402|10.188445|0.206851|0.159940|12.431635|0.244122|36.858105| |3.078525|3.887025|3.875199|6.810733|0.136145|0.121855|7.724434|0.179559|12.206382|36.858105| |3.073156|3.829260|3.519985|6.862665|0.128419|0.132968|8.009858|0.193511|7.675216|12.079812|36.858105| |2.718202|3.234803|2.980417|5.662094|0.110000|0.113853|5.753044|0.140241|5.729956|8.697868|17.641683|0.500000| |3.887498|4.924211|4.090445|10.158292|0.176823|0.210770|12.296622|0.244067|7.746026|7.599909|12.190691|0.243665|36.858105| |3.752158|4.518981|3.591545|8.127876|0.136156|0.192179|7.401074|0.196148|4.946833|4.879847|7.267776|0.173674|12.302581|36.858105| |3.228246|3.911031|3.282314|6.212928|0.105613|0.135209|5.744515|0.179904|4.234488|4.371561|6.322676|0.150506|7.282234|12.478218|36.858105| |2.683013|3.219634|2.883618|5.104682|0.091375|0.106008|4.924945|0.148469|4.125501|4.799551|7.407906|0.185806|6.340187|7.573799|12.449070|36.858105| |2.788094|3.465846|3.233590|5.636691|0.102272|0.110421|6.046594|0.179679|5.517358|7.316900|12.359075|0.250511|7.367554|6.502455|7.708914|12.487528|36.858105| |2.337519|2.752277|2.538184|4.109519|0.074588|0.084406|3.733249|0.115936|3.290106|3.725360|4.872762|0.126446|4.265250|4.915065|7.540002|12.483162|7.581024|36.858105| |2.428757|2.807236|2.514512|4.526671|0.083925|0.096182|4.155795|0.115873|3.634952|4.351498|6.668206|0.204734|5.725488|6.680855|7.897153|13.469776|8.094405|7.901151|73.516695| |3.778613|4.353344|3.637032|9.021916|0.184825|0.202009|7.538518|0.153322|6.177865|5.939676|7.297417|0.195594|12.262301|7.640394|4.891300|4.435421|4.831152|3.277004|8.064375|36.858105| |2.938157|3.234829|2.817882|5.896905|0.121659|0.130866|4.849884|0.111056|4.424582|4.825433|6.058267|0.198289|7.240908|5.944093|4.257602|4.167368|4.320737|3.139045|8.497895|12.452968|36.858105| |2.778447|2.898746|2.538720|5.065897|0.108737|0.113801|3.787643|0.088927|3.541546|3.643730|4.121283|0.127242|4.844287|4.337440|3.298152|3.159879|3.214637|2.533761|6.298377|7.594523|12.481107|36.858105| |3.076045|3.096631|2.671233|5.400754|0.119332|0.123886|3.756326|0.087827|3.461921|3.351695|3.652253|0.106647|4.486337|4.068578|3.086175|2.856800|2.907962|2.330070|5.466170|6.969764|7.965089|15.815320|73.516695| |2.324525|2.410312|2.163792|4.028061|0.085701|0.088486|3.054641|0.074159|2.943897|3.125970|3.482559|0.110447|3.781808|3.504340|2.843691|2.819110|2.839819|2.328537|5.763665|5.116113|7.863385|14.187230|15.115081|53.358707| |2.122948|2.144313|1.940489|3.468925|0.074297|0.076023|2.550160|0.063003|2.470493|2.557792|2.763364|0.084776|2.996349|2.847444|2.381241|2.336786|2.337988|1.991059|4.670381|3.845105|5.009788|7.779940|12.165395|17.817093|36.858105| |1.836817|1.867792|1.723630|2.963394|0.063154|0.063743|2.215423|0.055552|2.193227|2.315707|2.465233|0.076259|2.562732|2.433337|2.107374|2.119097|2.129995|1.842128|4.254572|3.121136|3.960226|5.185486|8.083137|10.719469|12.782174|36.858105| |1.690777|1.712028|1.603016|2.676783|0.057417|0.056853|1.992190|0.050240|2.005771|2.106830|2.185753|0.066760|2.243874|2.113254|1.859092|1.876556|1.907156|1.655125|3.704829|2.675138|3.226063|4.007388|6.579290|7.233149|7.326244|14.228631|36.858105| |1.526422|1.555828|1.466354|2.407543|0.051087|0.050884|1.814497|0.046316|1.831613|1.950747|2.030718|0.062330|2.041825|1.942366|1.744713|1.786281|1.806267|1.597095|3.549966|2.359204|2.828998|3.301487|5.339520|5.779017|5.142911|8.571888|13.212260|36.858105| |1.550536|1.591254|1.489351|2.473309|0.051928|0.052575|1.884528|0.048266|1.882167|2.029739|2.160029|0.067200|2.160339|2.081749|1.876260|1.935878|1.932567|1.727324|3.923087|2.479146|3.055041|3.502076|5.477099|6.326318|5.345460|8.760427|8.595943|14.250013|36.858105| |1.725606|1.771805|1.636682|2.794489|0.058616|0.060071|2.126698|0.053982|2.094997|2.255388|2.446762|0.076795|2.490723|2.408835|2.126489|2.174422|2.154861|1.904752|4.461277|2.933957|3.775938|4.533115|6.828281|9.052656|7.894277|14.104657|8.632439|8.624740|14.119439|73.516695| |2.668209|3.329672|3.509373|5.270494|0.104139|0.094995|5.390485|0.146225|7.516318|12.375886|7.263930|0.165537|5.005240|3.814007|3.781196|4.349515|6.672933|3.709759|6.797726|4.035712|3.532186|2.836190|4.692363|3.457522|2.147392|1.995696|1.847116|1.742383|1.809349|3.499675|36.858105| |2.710780|3.217315|3.220308|5.539580|0.118626|0.102896|5.271833|0.122211|7.469749|12.377744|7.416087|0.206828|5.611932|3.917516|3.432506|3.753490|4.995094|3.031470|6.622362|5.557390|5.055890|3.965633|6.339845|4.749888|2.830076|2.599042|2.385233|2.195576|2.261557|4.448334|7.734378|36.858105| |17.597897|8.889610|6.852871|7.617654|0.144458|0.149991|4.038990|0.113466|3.417762|2.714385|2.698466|0.066770|3.273618|3.229549|2.909313|2.446562|2.522918|2.188258|3.922383|3.131419|2.528950|2.402956|4.668633|2.798369|1.899253|1.665454|1.544536|1.405435|1.426130|2.797899|2.432067|2.399422|0.500000| |17.553354|8.748877|5.463897|9.624360|0.176636|0.226419|4.638217|0.123760|3.653582|2.934369|3.045220|0.075868|3.954692|4.028244|3.385542|2.745083|2.767271|2.376114|4.472999|3.927854|3.083328|2.950637|5.883258|3.335000|2.243206|1.917912|1.749511|1.574898|1.607388|3.204596|2.518107|2.606946|0.302604|0.500000| |17.550329|8.774823|6.821203|9.428474|0.208966|0.181635|4.507025|0.115661|3.925455|3.016742|2.929404|0.073005|3.638454|3.377753|2.876547|2.465401|2.599594|2.146711|4.044738|3.726120|2.919886|2.832002|5.684367|3.223367|2.183886|1.885938|1.748125|1.566029|1.576365|3.112717|2.599679|2.741937|0.302153|0.300168|0.500000| |8.863973|17.605506|8.859357|12.505273|0.181663|0.224322|6.902344|0.225025|4.894755|3.727698|3.850030|0.089680|4.906269|4.888816|4.465850|3.520156|3.676618|3.042468|5.291547|4.075156|3.110116|2.743454|5.109214|3.141169|2.048558|1.794786|1.638978|1.502377|1.548653|3.063638|3.276120|3.018370|0.212654|0.212454|0.173020|0.500000| |6.974755|8.936778|17.594178|7.554457|0.143899|0.127402|4.596254|0.136192|4.264912|3.210139|2.977140|0.071482|3.382758|3.111653|2.930555|2.581838|2.824919|2.336470|4.018956|3.048617|2.449745|2.243985|4.202489|2.644564|1.766659|1.580780|1.478296|1.359028|1.378362|2.676704|3.011746|2.732643|0.208992|0.141705|0.172653|0.210773|0.500000| |6.744041|8.786337|17.551365|9.398351|0.207484|0.145363|5.460303|0.143881|5.583070|3.839249|3.359759|0.080535|3.850241|3.279458|2.934409|2.642232|2.989815|2.317764|4.201455|3.621026|2.820256|2.588650|4.894808|3.003202|1.990245|1.768268|1.655579|1.505451|1.516619|2.956188|3.434605|3.335056|0.166300|0.138605|0.199991|0.173089|0.302262|0.500000| |5.465305|8.748635|17.616663|9.223483|0.168866|0.141876|6.579022|0.203850|6.455245|4.412893|3.882209|0.089139|4.293223|3.687659|3.486497|3.137335|3.645439|2.773750|4.754066|3.625068|2.831141|2.489710|4.549510|2.911636|1.900025|1.702902|1.583459|1.458939|1.488076|2.898731|4.151718|3.495703|0.141117|0.122260|0.138855|0.214243|0.303074|0.300244|0.500000| |3.899206|5.404184|6.343711|8.605565|0.172327|0.134922|8.731202|0.221045|17.609264|8.646503|5.803857|0.126142|5.629386|4.116749|3.772497|3.695490|4.863684|3.106614|5.680388|4.602558|3.537747|2.953633|5.192145|3.436778|2.172104|1.956758|1.812347|1.669081|1.707323|3.335712|7.558851|5.887169|0.095785|0.096134|0.106088|0.135926|0.133812|0.174853|0.229738|0.500000| |4.056366|5.184350|5.337587|9.859994|0.238824|0.157056|8.799905|0.175033|17.541984|8.690637|5.998366|0.139037|6.472865|4.330258|3.597349|3.472026|4.349271|2.821074|5.701000|6.329505|4.522238|3.788868|6.751818|4.235730|2.628824|2.316016|2.130528|1.919337|1.948837|3.860051|5.800610|7.544311|0.095076|0.102551|0.116666|0.122643|0.114133|0.163089|0.157411|0.304574|0.500000| |3.269965|3.716165|3.037997|6.487956|0.116277|0.154758|5.492733|0.141550|4.138282|4.278989|6.250213|0.170791|8.870078|17.643961|8.993243|6.768691|5.522331|4.560122|13.002605|7.485661|6.978301|4.979603|7.958021|5.489614|3.201112|2.701307|2.297516|2.110810|2.296109|4.811077|3.389597|3.694522|0.079056|0.098928|0.083818|0.108612|0.074436|0.079036|0.085607|0.096494|0.105289|0.500000| |4.471854|5.257001|3.876252|9.278407|0.148522|0.248590|7.004618|0.188381|4.554178|4.146954|5.403695|0.131138|8.766350|17.449419|8.862278|5.512312|4.916703|4.080705|8.729920|6.764761|5.100086|4.094646|7.249358|4.467987|2.752683|2.327901|2.033905|1.856074|1.970322|4.042207|3.331433|3.427370|0.104815|0.139968|0.108059|0.161739|0.093877|0.096889|0.106385|0.108305|0.114513|0.307058|0.500000| |2.980307|3.442601|2.888563|5.254608|0.091346|0.117315|4.449155|0.135594|3.436068|3.516841|4.749576|0.121226|5.412223|8.905175|17.529235|8.803986|5.555350|6.929287|12.438066|4.143313|3.801795|3.078775|5.155697|3.684458|2.306060|2.046573|1.802196|1.700161|1.838067|3.701842|3.122554|2.910404|0.075810|0.088671|0.073726|0.109365|0.073397|0.072205|0.083487|0.086712|0.084075|0.223976|0.212762|0.500000| |3.478360|4.379834|3.686683|6.548309|0.108225|0.137022|6.031077|0.214910|4.367383|4.274108|5.616935|0.128090|6.369484|8.747457|17.514452|8.874976|7.040550|6.924728|10.138116|4.322538|3.632098|2.915434|4.971890|3.433128|2.153347|1.917741|1.714606|1.609233|1.712302|3.411503|3.848037|3.271527|0.088302|0.099310|0.084194|0.146913|0.091933|0.088602|0.110923|0.112601|0.100880|0.174625|0.214862|0.304316|0.500000| |2.950606|3.788795|3.621705|5.899176|0.104790|0.111772|6.405796|0.215880|5.815664|6.863117|8.713969|0.174916|6.457500|5.787984|7.139179|8.999347|17.552727|7.013206|10.323509|4.290187|3.676983|2.860716|4.738487|3.432372|2.122772|1.935560|1.752390|1.657290|1.755187|3.450071|7.013195|4.522194|0.074941|0.079866|0.075441|0.114203|0.087856|0.090617|0.117772|0.152926|0.122397|0.130612|0.131243|0.144680|0.216492|0.500000| |2.428927|2.942120|2.828801|4.658285|0.087359|0.091105|4.676394|0.135359|4.685040|6.574040|8.872298|0.224535|5.442371|4.848911|5.580413|8.915088|17.590757|7.092441|12.884749|4.055247|3.854480|2.947806|4.698914|3.658064|2.229792|2.074234|1.872449|1.795567|1.925408|3.770052|6.948847|4.913169|0.061824|0.066694|0.063809|0.085434|0.069733|0.073942|0.088424|0.118888|0.106751|0.123076|0.107563|0.124185|0.144027|0.304362|0.500000| |2.412859|2.880891|2.694416|4.169841|0.074983|0.084200|3.773366|0.122534|3.326354|3.639326|4.488111|0.111549|4.019780|4.517157|6.826551|8.769381|6.861840|17.563780|10.089083|3.067652|2.846468|2.337032|3.889291|2.905216|1.846299|1.707120|1.547155|1.488452|1.594076|3.106822|3.751823|2.904255|0.063434|0.067346|0.061013|0.090060|0.069472|0.067315|0.083022|0.089869|0.078318|0.111591|0.108792|0.170915|0.205745|0.208843|0.174764|0.500000| |2.111351|2.461836|2.320494|3.679085|0.068208|0.074833|3.326922|0.100550|3.081312|3.614708|4.560073|0.123444|3.780443|4.082937|5.493620|8.830930|6.902287|17.573327|12.771792|3.014485|2.967267|2.412794|3.909540|3.074384|1.935649|1.817771|1.642223|1.599595|1.734078|3.368503|3.739422|3.020867|0.055065|0.059204|0.054613|0.074043|0.059477|0.059727|0.070603|0.081327|0.074138|0.108561|0.095195|0.141304|0.141316|0.171375|0.212901|0.300701|0.500000| |2.228971|2.561584|2.332905|3.778146|0.068815|0.079170|3.285451|0.100542|2.864742|3.151053|4.033239|0.107744|3.764127|4.565540|6.863029|8.802150|5.502414|17.523996|12.530031|3.017817|2.944410|2.431433|3.993361|3.068841|1.948662|1.803991|1.617021|1.565667|1.701264|3.336694|3.080443|2.654975|0.058320|0.063800|0.056735|0.078948|0.060365|0.059295|0.069500|0.075134|0.069863|0.122657|0.108937|0.207249|0.170448|0.142731|0.143215|0.302073|0.300969|0.500000| |2.274907|2.577403|2.303267|4.053076|0.075350|0.087157|3.557887|0.100387|3.109729|3.581109|5.030590|0.151106|4.652216|5.720676|6.986278|9.744683|5.974472|7.657250|35.708670|3.889659|4.156345|3.251457|5.074121|4.135303|2.515418|2.307020|2.009085|1.940803|2.159393|4.351062|3.232118|3.150299|0.057961|0.066052|0.059055|0.076443|0.058321|0.060064|0.067385|0.077412|0.077551|0.180431|0.124752|0.199262|0.143729|0.131760|0.154642|0.150446|0.192491|0.221972|0.500000| |3.809707|4.377049|3.830448|9.068571|0.211553|0.183377|7.245157|0.143480|7.061831|6.356989|6.431373|0.170277|8.677883|5.543568|3.999925|3.756946|4.295979|2.902400|6.704275|17.583996|8.971260|6.872616|11.970633|6.567409|3.747936|3.085028|2.707255|2.364168|2.432995|5.039486|4.210625|6.511461|0.087403|0.106041|0.108671|0.108707|0.087861|0.110553|0.105474|0.141698|0.232161|0.146441|0.143607|0.095224|0.103030|0.109580|0.103783|0.076895|0.075571|0.073827|0.090889|0.500000| |4.275312|4.665835|3.684821|9.660873|0.196576|0.251615|6.617183|0.141797|5.106057|4.587257|5.403037|0.143040|8.812598|7.383342|4.647267|3.948874|4.054385|3.019223|7.094912|17.562457|9.058859|7.437228|14.266576|6.679340|3.876439|3.059573|2.617977|2.287702|2.391762|5.050208|3.376477|4.281196|0.096082|0.129411|0.116682|0.120394|0.086763|0.101395|0.098217|0.112426|0.147671|0.204499|0.213151|0.114163|0.115862|0.103782|0.095226|0.079378|0.076216|0.079196|0.099056|0.306745|0.500000| |2.770234|3.040558|2.626324|5.348817|0.105922|0.121061|4.428595|0.106680|3.883247|4.288278|5.781112|0.192713|6.756944|6.612501|4.773604|4.682423|4.479099|3.463246|10.310654|8.744800|17.559548|8.944066|11.197822|9.448147|4.653004|3.771276|3.041528|2.737778|3.037873|6.716537|3.296108|4.252920|0.067124|0.081908|0.074932|0.083661|0.064325|0.071612|0.073661|0.088866|0.105779|0.250853|0.151016|0.121686|0.107861|0.103567|0.110563|0.084959|0.090116|0.091898|0.141902|0.174098|0.206825|0.500000| |2.645293|2.946157|2.664397|5.226064|0.108990|0.110460|4.479942|0.104105|4.444932|5.293799|6.390825|0.234640|6.326666|4.968421|3.882410|4.075715|4.445417|3.114904|8.446962|8.755540|17.585990|8.915092|10.799261|9.953663|4.721538|4.004441|3.318885|2.958851|3.202097|6.910862|3.857810|6.111690|0.064173|0.075444|0.073496|0.078666|0.064498|0.074663|0.075678|0.099116|0.126056|0.153719|0.116739|0.095521|0.093420|0.103108|0.115049|0.078154|0.084106|0.079883|0.112716|0.217501|0.175530|0.305312|0.500000| |2.169130|2.281272|2.066217|3.779458|0.079170|0.082153|2.953333|0.072648|2.868336|3.155298|3.582242|0.117776|3.713173|3.470050|2.888211|2.952393|2.957283|2.441758|6.236155|4.738018|7.506094|9.390723|10.865203|26.054203|9.039884|7.480589|5.110265|4.399365|5.134055|13.429925|2.594932|3.536412|0.053734|0.063146|0.060784|0.061383|0.051670|0.058102|0.057432|0.068621|0.082548|0.112234|0.087953|0.076489|0.070432|0.071774|0.079008|0.061397|0.066566|0.065657|0.091410|0.122070|0.121395|0.201232|0.216703|0.500000| |2.206871|2.201800|2.000269|3.556566|0.077662|0.077545|2.558825|0.062763|2.503006|2.533774|2.666069|0.080151|2.924915|2.729311|2.273012|2.208162|2.240966|1.887126|4.310321|3.802942|4.634994|7.230873|13.217946|12.509387|17.654696|9.017299|6.863498|4.628585|4.444145|10.232784|2.123108|2.822517|0.054660|0.064511|0.064038|0.057663|0.050549|0.057650|0.053932|0.061291|0.075434|0.083169|0.074451|0.060738|0.057894|0.057240|0.059136|0.049141|0.050817|0.051057|0.064098|0.106934|0.108206|0.114723|0.120885|0.181650|0.500000| |2.104835|2.101019|1.881094|3.358721|0.071018|0.074690|2.438861|0.060953|2.311362|2.366758|2.595619|0.078655|2.860445|2.820460|2.368322|2.289348|2.241203|1.963977|4.574910|3.588163|4.531080|6.642992|11.142041|12.390235|17.545209|8.962272|5.871625|4.508026|4.827586|12.318427|2.005372|2.542890|0.052517|0.062601|0.059697|0.056218|0.047900|0.053157|0.050929|0.056851|0.067521|0.089130|0.076852|0.064782|0.059356|0.056782|0.059029|0.050565|0.052688|0.054031|0.069541|0.094559|0.103941|0.123486|0.114181|0.198022|0.302670|0.500000| |1.700302|1.708374|1.607754|2.658233|0.057582|0.056207|1.954495|0.049177|1.981081|2.050864|2.092527|0.063049|2.163214|2.021075|1.774770|1.778136|1.821343|1.571642|3.457645|2.586273|3.021122|3.764461|6.456254|6.366312|6.326608|8.837519|17.796868|8.437128|5.853690|10.451950|1.800573|2.328026|0.043173|0.048684|0.049277|0.045104|0.041244|0.046473|0.043890|0.049945|0.059085|0.060273|0.054534|0.047638|0.045867|0.046908|0.049515|0.041121|0.043198|0.042541|0.051911|0.074012|0.070846|0.077829|0.085699|0.120100|0.190227|0.143664|0.500000| |1.418656|1.444177|1.371961|2.212917|0.046962|0.046491|1.666130|0.042773|1.692743|1.798714|1.852219|0.056400|1.850121|1.759493|1.597278|1.639085|1.663240|1.480582|3.227703|2.106110|2.465938|2.810344|4.624509|4.700346|4.034258|5.843508|8.434649|17.805700|8.839317|10.446926|1.627570|2.021165|0.036487|0.040477|0.040478|0.038750|0.035477|0.039182|0.037956|0.043223|0.049233|0.052597|0.046837|0.043258|0.041215|0.042670|0.046158|0.038514|0.041337|0.040312|0.049102|0.059002|0.056745|0.066305|0.071809|0.098879|0.105200|0.100907|0.192948|0.500000| |1.466173|1.510828|1.417464|2.332692|0.048588|0.049494|1.790565|0.046273|1.785222|1.939490|2.076449|0.064701|2.052425|1.998075|1.829397|1.905926|1.888521|1.719305|3.886316|2.303846|2.813543|3.101098|4.851029|5.386163|4.282529|6.027598|5.813188|8.620572|17.839178|16.466997|1.750345|2.139373|0.037637|0.042187|0.041165|0.041115|0.036557|0.039891|0.039514|0.045223|0.050831|0.061232|0.052300|0.050052|0.046336|0.047582|0.052682|0.043921|0.048265|0.047246|0.059955|0.062311|0.061542|0.079275|0.082240|0.124209|0.100583|0.111843|0.123068|0.195254|0.500000| |2.579039|3.169507|3.479323|4.891266|0.099771|0.087289|4.660707|0.124531|6.821057|8.830006|5.373281|0.129934|4.163128|3.240287|3.159418|3.493461|4.846600|3.074245|5.608255|3.589912|3.159425|2.635388|4.427067|3.238875|2.045341|1.914013|1.795072|1.691388|1.736243|3.327333|17.556084|7.236538|0.065771|0.066730|0.070997|0.084751|0.083464|0.097476|0.114094|0.209525|0.160322|0.081123|0.081209|0.074472|0.090012|0.142423|0.139056|0.087062|0.086205|0.072969|0.076033|0.107917|0.085249|0.080764|0.095694|0.066934|0.056809|0.052842|0.049042|0.044173|0.046514|0.500000| |2.349782|2.845525|2.937534|4.459817|0.088290|0.083092|4.362902|0.119197|5.454676|8.726132|6.599325|0.167718|4.408710|3.529821|3.585610|4.365830|6.574622|3.826061|7.079184|3.664119|3.403464|2.736705|4.447679|3.419375|2.121548|2.002059|1.854786|1.771310|1.852449|3.559728|17.576626|6.969113|0.059964|0.062539|0.063638|0.078695|0.071711|0.079931|0.093818|0.147164|0.126436|0.089980|0.084643|0.083780|0.098732|0.176240|0.221950|0.104803|0.112178|0.087715|0.093404|0.103877|0.085454|0.089966|0.105932|0.072627|0.057631|0.054957|0.049842|0.046043|0.050180|0.302944|0.500000| |2.753043|3.509923|3.747046|5.334187|0.101848|0.095568|5.476670|0.163462|6.877300|8.644976|6.495262|0.142647|4.810929|3.863958|4.034832|4.594869|7.056336|4.062111|6.743662|3.714415|3.202610|2.600516|4.360917|3.164465|1.987760|1.841836|1.704084|1.611459|1.676393|3.239900|17.587209|5.534054|0.070533|0.071759|0.073102|0.098656|0.090092|0.098260|0.127905|0.212247|0.142555|0.093003|0.094769|0.091766|0.119435|0.243949|0.195699|0.119586|0.111796|0.092029|0.090101|0.104678|0.089070|0.085028|0.093875|0.065705|0.054558|0.052228|0.046170|0.041903|0.045227|0.303131|0.301792|0.500000| |2.821212|3.269269|3.168550|5.821197|0.128670|0.110947|5.243713|0.116860|6.731353|8.653460|6.780161|0.200589|5.925621|4.085705|3.397480|3.583852|4.464312|2.857172|6.528783|6.876707|6.390590|4.981040|7.819991|5.767273|3.331490|2.987704|2.705538|2.434885|2.499060|5.007416|5.533577|17.605014|0.068398|0.076364|0.080266|0.084025|0.074612|0.092181|0.092363|0.142588|0.210686|0.109934|0.100325|0.081033|0.088316|0.110981|0.117944|0.075280|0.078018|0.070960|0.087086|0.245632|0.141092|0.137498|0.222783|0.116702|0.093055|0.081507|0.073449|0.061497|0.064650|0.145003|0.141349|0.122031|0.500000| |2.376579|2.770346|2.759040|4.615621|0.096713|0.088126|4.291312|0.104694|5.448474|8.783637|6.691672|0.211155|4.796015|3.597453|3.266642|3.740023|4.919022|3.074711|6.845024|4.700198|4.716184|3.722963|5.793523|4.675451|2.783656|2.625700|2.414534|2.265227|2.357238|4.591884|7.087871|17.559632|0.059259|0.064212|0.066296|0.073739|0.066567|0.078312|0.083074|0.128257|0.147084|0.096972|0.086390|0.078048|0.085244|0.119403|0.144609|0.080449|0.087569|0.074689|0.090404|0.142096|0.103244|0.114840|0.166473|0.100120|0.075691|0.069328|0.064650|0.058039|0.062564|0.179399|0.211146|0.142213|0.302442|0.500000| |2.628434|3.090078|3.221297|5.123768|0.112512|0.093511|4.604503|0.109433|6.818349|8.768719|5.417330|0.145859|4.489356|3.305955|2.955354|3.166788|4.085061|2.661371|5.500977|4.505761|4.066828|3.428942|5.679142|4.177731|2.582468|2.400868|2.252434|2.075361|2.103274|4.069927|7.105356|17.549791|0.065238|0.069086|0.074991|0.079366|0.076314|0.095170|0.097253|0.165054|0.207189|0.086247|0.083137|0.070800|0.080176|0.108241|0.112916|0.072192|0.073889|0.065370|0.074567|0.150156|0.102398|0.096553|0.130408|0.085250|0.072788|0.064554|0.061953|0.053679|0.055210|0.221574|0.172775|0.144104|0.302758|0.302307|0.500000|
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