Version2.0
2020-03-03T11:29:10Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
16-Jan-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOc1ccc(cc1OC)[C@@H]2CC3=C([C@H](Nc4ccccc4N3)c5ccc(c(c5)O)OC)C(=O)C2 C01122898
RHF
6-31G(d)
(6D,7F)
CCOc1ccc(cc1OC)[C@@H]2CC3=C([C@H](Nc4ccccc4N3)c5ccc(c(c5)O)OC)C(=O)C2
C01[X(C29H30N2O5)]
192
C1
600
CCOc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(c(c1)O)OC
CCOc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(c(c1)O)OC
CCOc1ccc(cc1OC)[C@H]2CC(=O)C3=C(C2)Nc4ccccc4N[C@@H]3c5ccc(OC)c(O)c5
InChIKey=PVMFXSODUXWBND-SONOPUAISA-N
InChI=1S/C29H30N2O5/c1-4-36-26-12-9-17(16-27(26)35-3)19-13-22-28(24(33)15-19)29(18-10-11-25(34-2)23(32)14-18)31-21-8-6-5-7-20(21)30-22/h5-12,14,16,19,29-32H,4,13,15H2,1-3H3/t19-,29-/m1/s1
InChI=1/C29H30N2O5/c1-4-36-26-12-9-17(16-27(26)35-3)19-13-22-28(24(33)15-19)29(18-10-11-25(34-2)23(32)14-18)31-21-8-6-5-7-20(21)30-22/h5-12,14,16,19,29-32H,4,13,15H2,1-3H3/t19-,29-/m1/s1
CCOc1ccc(cc1OC)[C@@H]2CC3=C([C@H](Nc4ccccc4N3)c5ccc(c(c5)O)OC)C(=O)C2
C01[X(C29H30N2O5)]
192
C01
600
CCOc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(c(c1)O)OC
CCOc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(c(c1)O)OC
CCOc1ccc(cc1OC)[C@H]2CC(=O)C3=C(C2)Nc4ccccc4N[C@@H]3c5ccc(OC)c(O)c5
InChIKey=PVMFXSODUXWBND-SONOPUAISA-N
InChI=1S/C29H30N2O5/c1-4-36-26-12-9-17(16-27(26)35-3)19-13-22-28(24(33)15-19)29(18-10-11-25(34-2)23(32)14-18)31-21-8-6-5-7-20(21)30-22/h5-12,14,16,19,29-32H,4,13,15H2,1-3H3/t19-,29-/m1/s1
InChI=1/C29H30N2O5/c1-4-36-26-12-9-17(16-27(26)35-3)19-13-22-28(24(33)15-19)29(18-10-11-25(34-2)23(32)14-18)31-21-8-6-5-7-20(21)30-22/h5-12,14,16,19,29-32H,4,13,15H2,1-3H3/t19-,29-/m1/s1
3698.2086432754
-1598.8142556
1-A
26664.9442
129
471
600
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10.79059
1.3522 1.6029 5.8042
6.1715
|XX|YY|ZZ|XY|XZ|YZ|
-198.1607 -205.9120 -198.8063 1.1136 -13.4735 -17.0053
|XX|YY|ZZ|XY|XZ|YZ|
2.7990 -4.9523 2.1534 1.1136 -13.4735 -17.0053
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-78.4798 -46.2217 17.6588 -10.4668 -71.9993 113.1049 42.6279 13.7619 59.0908 3.2758
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-27336.9407 -4691.9264 -2429.9008 185.3094 -218.0336 324.6828 -34.0605 -160.5534 -111.2571 -4849.1996 -4564.9883 -1089.9100 -628.8369 -201.8573 63.3735
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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 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
11.7226 17.4768 20.5450 25.7942 31.1257 42.3301 60.3822 62.8458 68.0391 78.8111 90.1331 111.8033 117.4228 123.8779 136.7012 155.1046 166.3932 174.1202 194.3927 203.7133 214.2681 233.7699 250.6926 258.8809 271.6190 276.6792 307.8959 309.1542 316.0680 321.1448 343.7266 355.5016 373.8272 384.4160 388.9961 413.8739 417.9670 442.8967 452.0884 475.6202 491.3147 502.8898 511.6646 517.7923 522.4384 537.8823 557.8517 566.8898 594.9686 610.4181 613.9503 620.1361 650.8614 653.3996 657.2236 673.9826 683.1967 706.1089 718.9053 744.8961 749.1738 780.0913 796.4115 804.3211 807.0898 826.2338 837.2565 846.7285 858.5408 875.3573 886.3531 899.5466 904.8082 929.4523 935.7128 959.2368 965.5744 976.9497 987.1142 999.1098 1003.8473 1016.4021 1037.2828 1049.5897 1051.2932 1052.2249 1054.5282 1087.0464 1095.7590 1148.3398 1162.6457 1163.6860 1167.6705 1173.3807 1186.3958 1200.5119 1211.9948 1220.5879 1231.2401 1232.1522 1240.8862 1249.2128 1261.8820 1271.8314 1284.1125 1294.0017 1294.7578 1300.2091 1300.8410 1307.7215 1323.8769 1333.0263 1334.6662 1340.2838 1348.3385 1365.6434 1383.5273 1399.5368 1403.4193 1410.3221 1420.1803 1421.7580 1430.2366 1432.4321 1443.2760 1448.5696 1451.3326 1468.2767 1482.3627 1500.9072 1518.9762 1525.5267 1545.3273 1553.6501 1586.4486 1594.7057 1600.0544 1613.3030 1619.2172 1628.5675 1629.6041 1633.5338 1640.0723 1644.8823 1648.5604 1651.7644 1660.5006 1661.0056 1663.2108 1679.5806 1689.2645 1700.4071 1709.6848 1716.0398 1788.0822 1792.2521 1796.5551 1812.0601 1813.6058 1831.8086 1835.0103 1946.5711 3196.2374 3199.3335 3201.7472 3204.2701 3211.0015 3213.7082 3216.5468 3234.0635 3241.3310 3265.1126 3275.1981 3282.0977 3285.1662 3291.9049 3297.7746 3326.0880 3327.6687 3343.7920 3355.3659 3364.4175 3369.2316 3372.0304 3382.5291 3389.2415 3395.6650 3401.0225 3405.7889 3802.4816 3873.7982 4090.3916
4.4395 5.6720 5.1721 4.3287 4.1612 4.5329 4.5159 4.0800 4.3716 3.2835 6.0751 1.8990 3.0055 4.0967 4.3395 5.3017 4.7923 4.6575 4.1972 3.4279 3.9410 2.9142 3.7112 2.8314 1.2435 1.1829 2.9011 4.1022 4.3148 2.6432 4.1052 4.0395 3.6362 4.4401 3.8690 2.4314 1.5155 3.9372 5.0694 1.2305 4.1366 2.7545 3.6850 3.3851 3.2488 4.9922 4.3100 5.2586 4.6203 5.0605 4.2885 4.3557 4.4904 5.2640 4.9279 3.8315 5.9499 4.3166 4.6760 3.2104 3.8361 4.1317 4.4243 3.9397 3.3724 4.3419 3.9631 1.5273 4.0638 3.1311 3.1904 1.3726 2.1061 1.6232 1.4962 1.7863 1.5791 2.1941 1.5191 2.1987 2.3460 2.4072 3.9551 1.3835 1.3625 1.4184 2.5392 4.3076 1.3009 2.6091 3.5150 4.2401 2.7447 4.3950 3.5538 3.2149 3.1114 2.9270 2.6150 2.4167 2.0198 2.1337 1.9908 1.3728 1.6260 1.2686 1.2650 1.9611 1.5177 2.2781 2.0861 1.4948 1.8585 2.2187 1.4825 2.5636 1.5958 2.5297 1.6164 2.7269 1.4145 1.9233 1.9190 1.0981 1.7212 1.7655 2.8544 3.6400 1.6024 1.4023 1.4677 1.5930 1.2465 2.0154 1.3831 1.8028 1.9169 1.1114 2.8395 1.0411 1.1172 1.1955 1.3515 1.0581 1.0481 1.0480 1.0607 1.1925 1.4935 1.1512 2.3597 3.0190 2.7430 2.0755 6.1752 6.3570 5.7942 4.8810 5.6361 5.8441 3.6588 11.8242 1.0552 1.0698 1.0710 1.0349 1.0334 1.0769 1.0383 1.1092 1.1018 1.1072 1.1077 1.1018 1.0861 1.0958 1.1052 1.1028 1.1012 1.0893 1.0896 1.0902 1.0919 1.0932 1.0887 1.0986 1.0905 1.0946 1.0930 1.0758 1.0771 1.0657
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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 54 55 56 57 58 59 60 61 62 63 64 65 66
6 6 8 6 6 6 6 6 6 8 6 6 1 6 6 6 6 1 7 6 6 6 6 6 6 7 6 6 6 6 6 6 8 8 6 6 8 6 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
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1
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0.584356
0.615051
0.615996
0.518611
-1598.229900
-1598.199204
-1598.198260
-1598.295645
3.266309D-04
MUNgauss
RevisionA2.0
retrievium
03-Mar-2020
DUDE CCOc1ccc(cc1OC)[C@@H]2CC3=C([C@H](Nc4ccccc4N3)c5ccc(c(c5)O)OC)C(=O)C2 C01122898
RHF
6-31G(d)
(6D,10F)
C1
486.215472
|X|Y|Z|
58.748284 43.617996 145.983091
72.053401
27
|36.858105|
|12.572752|36.858105|
|8.091624|13.574502|73.516695|
|5.238545|8.001434|25.158812|36.858105|
|4.403435|6.703585|14.010478|13.837216|36.858105|
|3.334916|4.497300|9.214984|7.900536|13.655825|36.858105|
|2.966518|3.770027|8.156285|6.782634|7.901724|13.839378|36.858105|
|3.198928|3.980671|9.404861|7.914210|6.922347|8.000294|13.604655|36.858105|
|4.080219|5.233667|14.504119|13.533899|7.946362|6.870538|7.851059|13.825430|36.858105|
|4.133274|4.784342|13.122612|8.169999|5.303314|4.627632|5.170260|7.894642|14.153586|73.516695|
|3.221644|3.544779|8.518367|5.248053|3.995772|3.806267|4.509534|6.744661|8.030112|24.237716|36.858105|
|2.399681|2.907006|5.972324|4.401434|4.984629|7.501246|12.533818|7.550679|5.006694|6.861297|3.689961|36.858105|
|2.271760|2.686499|5.597151|4.007878|4.207423|5.615759|8.994855|7.485690|4.857448|7.001568|3.998083|17.533380|0.500000|
|2.215161|2.649184|5.278366|3.730362|4.271974|5.990953|7.531888|5.376496|4.035442|5.788989|3.123554|12.465428|0.249652|36.858105|
|1.885412|2.193841|4.281964|2.892212|3.222370|4.162925|4.889916|3.919548|3.109358|4.703115|2.615456|7.468224|0.188968|12.546111|36.858105|
|1.772840|2.046580|3.970147|2.651458|2.937031|3.735055|4.337268|3.545083|2.845790|4.361116|2.446873|6.564541|0.174561|7.589868|14.130249|36.858105|
|1.554633|1.761097|3.376529|2.193634|2.383374|2.884462|3.238285|2.802270|2.339474|3.696745|2.101137|4.353600|0.121857|4.827218|7.461125|12.586005|36.858105|
|1.524260|1.717428|3.307098|2.139692|2.294156|2.746362|3.118633|2.758602|2.304741|3.677099|2.113982|4.137143|0.120389|4.229006|5.821076|9.180607|17.636361|0.500000|
|1.471909|1.650489|3.169313|2.036104|2.173515|2.571422|2.892618|2.588590|2.186965|3.514876|2.022896|3.735255|0.107786|4.316174|6.490660|7.685332|12.964233|0.260247|53.358707|
|1.446971|1.620201|3.084150|1.968884|2.113479|2.477509|2.719373|2.428407|2.085169|3.353261|1.909882|3.392437|0.094780|4.157992|6.082420|6.027644|7.709959|0.159639|18.505033|36.858105|
|1.315302|1.457123|2.747902|1.727440|1.842296|2.111341|2.273007|2.065416|1.813401|2.955617|1.684112|2.721157|0.075941|3.213145|4.235682|4.257968|5.365774|0.123447|10.642338|13.700722|36.858105|
|1.279870|1.412142|2.643517|1.648389|1.758012|1.989029|2.105971|1.923146|1.713456|2.803552|1.587430|2.450866|0.067568|2.919346|3.642082|3.486446|4.011912|0.094807|6.997745|7.869376|13.779679|36.858105|
|1.359093|1.506177|2.814709|1.759182|1.886935|2.136634|2.243555|2.035649|1.817555|2.956463|1.659986|2.586317|0.070251|3.188460|3.891679|3.500780|3.736501|0.087427|6.180491|6.814903|7.967505|13.765092|36.858105|
|1.506118|1.688991|3.179609|2.016475|2.183054|2.520892|2.670059|2.379421|2.090743|3.352286|1.872964|3.142543|0.084311|4.111953|5.192083|4.313459|4.323433|0.097902|7.034769|7.918815|6.941224|7.978614|13.784362|36.858105|
|1.564843|1.767341|3.366743|2.166790|2.349920|2.782660|3.037314|2.667880|2.281850|3.624955|2.040329|3.781944|0.102625|5.076281|7.530735|6.098602|6.155985|0.130212|10.724469|13.685195|7.967140|6.853265|7.891305|13.710539|36.858105|
|1.763058|2.022923|3.908238|2.576305|2.822830|3.463761|3.898554|3.314490|2.743289|4.257313|2.380642|5.132771|0.136193|8.021666|13.926030|7.828404|6.193821|0.133664|9.120667|7.770276|5.148826|4.553372|5.183502|7.954284|13.543677|53.358707|
|1.466300|1.654952|3.115964|1.998718|2.196971|2.616408|2.802782|2.419363|2.078320|3.294864|1.846687|3.551047|0.095327|3.907759|5.378902|7.433318|12.454587|0.251217|10.394356|6.339558|5.174931|4.007093|3.662839|4.028551|5.183859|6.575571|36.858105|
|1.500340|1.702262|3.166260|2.029006|2.271983|2.708868|2.803492|2.377590|2.066925|3.250303|1.792218|3.461465|0.089180|3.942847|5.195417|6.306856|7.432391|0.158256|7.590557|5.543499|4.718691|3.983742|3.830517|4.260046|5.149974|6.552030|13.805576|36.858105|
|1.396438|1.570846|2.884070|1.820290|2.031907|2.360969|2.388174|2.060248|1.831350|2.909253|1.598558|2.817093|0.072928|3.116357|3.789736|4.336905|4.960689|0.117842|5.627668|4.226252|3.988289|3.565267|3.394007|3.557029|3.948093|4.951445|7.892730|13.666247|36.858105|
|1.288045|1.434636|2.634546|1.647411|1.812334|2.073613|2.114187|1.861780|1.666596|2.680076|1.484785|2.465174|0.065260|2.645159|3.165405|3.671753|4.407889|0.111854|5.152345|3.733428|3.696679|3.269690|2.990046|3.021566|3.330657|4.146540|6.817580|7.936423|13.845852|36.858105|
|1.265487|1.404979|2.603694|1.630014|1.772210|2.029692|2.112673|1.880775|1.671683|2.703704|1.514854|2.495915|0.067547|2.632516|3.204011|3.861251|5.024106|0.134306|5.825185|3.951917|3.906840|3.281931|2.905715|2.932466|3.337630|4.149331|7.891703|6.892818|7.950979|13.628129|36.858105|
|1.340923|1.496264|2.804356|1.773760|1.924050|2.237024|2.381575|2.110400|1.843422|2.968050|1.674594|2.906862|0.079672|3.072147|3.918530|5.042071|7.585348|0.204782|8.042463|4.945507|4.572510|3.594984|3.163395|3.287410|3.966062|4.954038|13.641876|7.991292|6.903266|7.940863|13.865083|36.858105|
|1.172558|1.290543|2.386757|1.480119|1.592534|1.796728|1.868978|1.692191|1.519491|2.484216|1.398654|2.166061|0.059327|2.245022|2.653960|3.121586|3.915859|0.110105|4.793503|3.252028|3.318994|2.855028|2.513453|2.489024|2.769602|3.466201|5.231711|4.631320|5.247100|7.992318|14.115226|8.085276|73.516695|
|1.202721|1.329612|2.422226|1.498283|1.640808|1.845568|1.861035|1.658179|1.505497|2.439653|1.349218|2.116026|0.056154|2.245474|2.594731|2.915382|3.356877|0.087664|4.092649|3.008781|3.067734|2.827537|2.605259|2.578086|2.743939|3.439769|4.590431|5.167682|7.810680|14.003128|8.215105|5.304000|12.813234|73.516695|
|1.201310|1.327456|2.396196|1.475076|1.624661|1.813098|1.798149|1.599139|1.465649|2.372564|1.301789|2.009581|0.052761|2.144629|2.419981|2.637575|2.899654|0.074949|3.578728|2.698008|2.743819|2.625545|2.494487|2.469763|2.555965|3.235553|3.768696|4.481434|6.662968|7.996766|5.264002|3.988383|8.382366|24.206292|36.858105|
|1.881120|2.190048|4.265976|2.882687|3.222257|4.180314|4.900400|3.900825|3.093012|4.672973|2.599338|7.578797|0.194977|6.586144|7.790519|12.914437|7.608755|0.209303|6.929969|4.146346|3.248820|2.762667|2.767103|3.264643|4.158079|6.909853|5.860542|5.171987|3.895423|3.406454|3.585204|4.491743|5.298544|4.930661|2.523682|36.858105|
|1.747753|2.006569|3.872057|2.557818|2.811338|3.479130|3.939108|3.317293|2.727355|4.224438|2.370777|5.342997|0.145870|4.655380|5.387040|8.148170|6.964415|0.223974|6.329984|3.710153|3.034783|2.566628|2.506945|2.851310|3.532915|5.446013|5.910561|4.922223|3.888066|3.572385|3.908521|4.946598|5.851714|5.177572|2.593324|15.854294|73.516695|
|2.206888|2.643992|5.231321|3.694136|4.285751|6.088761|7.459261|5.216887|3.950110|5.659461|3.045436|12.480381|0.249508|7.686017|6.597751|7.394605|4.870631|0.131913|5.176254|3.347747|2.712168|2.405985|2.480308|2.940806|3.555725|6.119896|4.123259|3.998802|3.225770|2.816691|2.858992|3.351133|4.355912|4.242368|2.244445|12.568859|14.384112|36.858105|
|17.580524|8.867065|12.968023|4.889893|4.025566|3.136787|2.860637|3.139470|4.010240|7.508693|3.328914|2.332092|0.062048|2.118838|1.818988|1.728791|1.522783|0.041786|1.958678|1.404171|1.277416|1.237201|1.304975|1.441026|1.505871|2.302607|1.433776|1.456626|1.356505|1.258647|1.243116|1.318379|2.055824|2.091092|1.170343|1.850254|3.082686|2.165507|0.500000|
|17.579552|8.866277|12.969762|4.882967|4.023859|3.133689|2.855824|3.132159|3.999263|7.481524|3.312400|2.329199|0.061825|2.179612|1.857248|1.732167|1.523285|0.041411|1.981852|1.437511|1.308985|1.278399|1.361635|1.508195|1.559430|2.388753|1.430192|1.460029|1.356381|1.251666|1.231893|1.307572|2.030541|2.076780|1.165531|1.815375|2.988368|2.108807|0.301094|0.500000|
|17.550570|8.872098|10.257758|4.242746|3.846593|3.002234|2.645806|2.772701|3.379842|5.971699|2.725230|2.189806|0.057339|2.048207|1.764574|1.665761|1.471681|0.040008|1.896408|1.375690|1.257857|1.228973|1.305082|1.438580|1.485355|2.258342|1.401511|1.442197|1.353095|1.249568|1.221995|1.286244|2.016984|2.085568|1.177956|1.762170|2.926317|2.046318|0.300279|0.300278|0.500000|
|8.846136|17.535428|16.536709|7.119135|6.797729|4.609389|3.754999|3.821428|4.785570|7.552639|3.253971|2.921371|0.074247|2.623650|2.189341|2.071396|1.782819|0.048436|2.248682|1.613694|1.451341|1.401095|1.487090|1.663987|1.749485|2.717612|1.688642|1.741876|1.614080|1.475050|1.441327|1.529864|2.353734|2.434105|1.369045|2.252470|3.696825|2.742226|0.212149|0.173403|0.212521|0.500000|
|8.847586|17.533001|16.534023|7.095385|6.788063|4.598849|3.743480|3.807457|4.765659|7.523136|3.237902|2.915302|0.073855|2.741498|2.256827|2.077039|1.783497|0.047851|2.283789|1.664789|1.498073|1.461738|1.572570|1.769845|1.834985|2.862279|1.682700|1.747622|1.613816|1.463797|1.423852|1.512968|2.315907|2.411546|1.361333|2.190176|3.537020|2.629434|0.173423|0.212135|0.212597|0.301015|0.500000|
|4.693122|7.462528|12.551298|8.947125|17.761817|8.940435|5.652743|4.981304|5.641231|7.596577|3.331626|4.079990|0.096676|3.686955|2.896495|2.665749|2.206043|0.058783|2.741669|1.978523|1.745070|1.679459|1.805892|2.070439|2.195572|3.518853|2.077747|2.179253|1.980632|1.765949|1.709187|1.831697|2.737539|2.867829|1.613946|2.899883|4.574706|3.722039|0.115259|0.115347|0.118376|0.227262|0.227928|0.500000|
|2.988075|3.917263|7.460957|5.654189|8.954752|17.716004|8.914687|5.654637|4.951135|6.524598|3.140859|6.887880|0.139590|6.106691|4.377676|3.956022|3.035843|0.079004|3.617733|2.585147|2.201587|2.077894|2.239993|2.652180|2.920233|4.922444|2.822923|3.005410|2.619814|2.260647|2.177899|2.384159|3.391100|3.563367|1.984109|4.426503|6.502071|6.391983|0.077811|0.077755|0.076940|0.114303|0.114115|0.218423|0.500000|
|2.805031|3.326121|7.598670|5.635765|4.980491|5.687679|8.925707|17.754387|8.970488|12.637507|7.562244|7.079728|0.234376|5.130376|3.947477|3.612819|2.892141|0.080273|3.689421|2.502888|2.121636|1.957841|2.053388|2.390773|2.712363|4.566176|2.440891|2.347191|2.023781|1.846185|1.890183|2.142326|3.036706|2.915699|1.567696|3.922457|5.987816|4.934522|0.077542|0.077340|0.068215|0.088703|0.088384|0.108054|0.124379|0.500000|
|2.931676|3.242905|7.529854|4.762882|3.810909|3.763908|4.585143|6.747546|7.057726|16.441264|17.554606|3.869335|0.119796|3.151077|2.677616|2.562147|2.201660|0.062384|2.854865|1.948541|1.712497|1.598015|1.655228|1.863371|2.054842|3.258004|1.923673|1.847423|1.643353|1.533703|1.576232|1.751280|2.591527|2.471290|1.333421|2.782710|4.561258|3.264328|0.085231|0.081617|0.070029|0.085624|0.081947|0.088428|0.087037|0.226736|0.500000|
|2.917651|3.225631|7.495390|4.738897|3.793355|3.749151|4.571881|6.735729|7.028457|16.438027|17.551341|3.867715|0.119051|3.370158|2.811676|2.579101|2.208316|0.061326|2.937329|2.046013|1.794955|1.693104|1.778692|2.019555|2.202821|3.526509|1.917248|1.855000|1.642952|1.521253|1.554496|1.728191|2.543158|2.447391|1.325608|2.672636|4.277680|3.081992|0.081645|0.084434|0.069697|0.081915|0.084717|0.088035|0.086716|0.227565|0.298947|0.500000|
|3.191943|3.342342|7.772835|4.412158|3.419200|3.193383|3.613553|4.914251|5.891429|17.028327|17.645784|3.051856|0.090782|2.661705|2.284107|2.152583|1.884205|0.052757|2.487494|1.735040|1.548549|1.468186|1.531536|1.709387|1.842408|2.875181|1.674260|1.627300|1.465805|1.370074|1.397343|1.533429|2.309753|2.228904|1.212457|2.270512|3.735406|2.603103|0.093291|0.092772|0.075034|0.084644|0.084241|0.082096|0.075201|0.147276|0.299950|0.300029|0.500000|
|2.291264|2.776723|5.393424|3.800049|4.608387|6.594570|6.944539|4.829731|3.864257|5.499261|2.875795|8.820808|0.174777|17.513787|8.960269|6.202089|4.260706|0.102853|5.155377|3.806421|3.036824|2.834034|3.155205|4.060511|4.721132|9.374396|3.727797|3.995771|3.220458|2.675546|2.587751|2.939704|3.909279|4.067137|2.225995|5.637181|7.441979|6.784489|0.060143|0.062268|0.059364|0.076849|0.081431|0.113776|0.208470|0.121231|0.079520|0.084658|0.069018|0.500000|
|2.250070|2.668592|5.389906|3.776718|4.136804|5.411076|6.866184|5.530760|4.194617|6.116198|3.339196|8.870313|0.219276|17.540848|8.937841|5.759540|4.125929|0.102259|5.420212|3.952054|3.109832|2.883349|3.204031|4.154693|4.935589|10.493684|3.361284|3.360986|2.735382|2.363979|2.362217|2.727041|3.640155|3.622095|1.954306|4.958415|6.742918|5.567817|0.059500|0.062459|0.057435|0.071803|0.077182|0.098548|0.143751|0.150746|0.091255|0.103606|0.078766|0.303784|0.500000|
|1.376334|1.530246|2.928488|1.861426|1.969568|2.291698|2.556989|2.331280|1.997364|3.250968|1.882712|3.202652|0.093289|3.547309|4.874114|5.764085|9.380560|0.240037|25.970853|9.615005|7.651163|4.932515|4.110706|4.349698|5.876234|6.788972|6.855722|4.904132|3.882586|3.760731|4.467367|6.228121|6.752047|5.378264|2.596456|4.330928|7.488376|3.305405|0.037528|0.037826|0.036277|0.042607|0.043041|0.050978|0.065479|0.068091|0.054420|0.055517|0.047657|0.088060|0.092308|0.500000|
|1.247240|1.374630|2.589893|1.619699|1.717753|1.955071|2.105517|1.930678|1.702953|2.794764|1.600452|2.504365|0.070576|2.853258|3.669911|3.867613|5.094357|0.124130|9.780088|8.957514|17.702899|8.932987|5.659195|4.986285|5.666448|5.671806|5.071619|4.389208|3.850975|3.785037|4.205177|4.918942|6.535211|5.629628|2.759212|3.069131|5.266850|2.540441|0.033803|0.034423|0.033169|0.038149|0.039045|0.045263|0.056415|0.055342|0.045478|0.047131|0.041058|0.074696|0.076311|0.231877|0.500000|
|1.194983|1.309453|2.439948|1.508452|1.600927|1.790193|1.882657|1.735589|1.562739|2.576774|1.460620|2.155903|0.059589|2.506953|3.027843|2.949602|3.387603|0.082801|5.678931|5.621752|8.934460|17.722122|8.899023|5.657424|4.942217|4.930923|3.467527|3.448476|3.234535|3.070684|3.084065|3.264826|4.916972|4.869542|2.554395|2.421645|4.071765|2.130920|0.032139|0.033173|0.031978|0.036114|0.037598|0.042710|0.051823|0.049065|0.040837|0.043098|0.037776|0.068018|0.068935|0.116406|0.215781|0.500000|
|1.317160|1.451809|2.694783|1.669088|1.785715|1.993757|2.067062|1.890416|1.711266|2.799435|1.565922|2.327051|0.062978|2.827512|3.292035|2.965639|3.099001|0.074355|4.920237|4.922344|5.651222|8.891039|17.723770|8.934342|5.629803|5.729471|3.084301|3.273684|3.012501|2.683214|2.573331|2.729559|4.030611|4.271723|2.348249|2.427316|3.939078|2.225506|0.035039|0.036755|0.035273|0.039721|0.042275|0.047842|0.057999|0.052690|0.043125|0.046517|0.040379|0.078996|0.079742|0.092955|0.124153|0.213428|0.500000|
|1.585234|1.783924|3.347565|2.122631|2.309090|2.652777|2.768995|2.461586|2.180791|3.481840|1.925636|3.176679|0.083842|4.244843|4.940899|3.942541|3.725998|0.086397|5.703142|5.642506|4.985022|5.661911|8.932059|17.687851|8.937014|10.018439|3.486295|3.773819|3.219669|2.722956|2.605515|2.872490|3.973111|4.203775|2.311394|3.092951|4.756579|2.902653|0.041831|0.044248|0.042083|0.048541|0.052435|0.061065|0.077641|0.067863|0.052655|0.057824|0.048800|0.120621|0.122649|0.099361|0.108050|0.124212|0.215730|0.500000|
|1.846281|2.123701|4.108808|2.709174|2.962360|3.596724|4.001919|3.435292|2.872823|4.449780|2.468290|4.966841|0.130067|8.044536|9.552884|5.840799|4.696488|0.107764|6.849745|5.832715|4.344307|4.116512|4.940856|7.644056|9.449619|26.093670|3.892155|3.990605|3.178746|2.687204|2.653909|3.069992|4.017921|4.061284|2.187457|4.297296|6.127345|4.115112|0.048835|0.051402|0.048175|0.057606|0.061953|0.075291|0.103160|0.095480|0.067772|0.075396|0.060814|0.202238|0.251399|0.111634|0.099233|0.093115|0.116729|0.232203|0.500000|
|1.609921|1.844593|3.432105|2.220892|2.525123|3.064746|3.141424|2.602368|2.248209|3.490407|1.906398|3.914910|0.097676|4.716926|6.288180|6.981152|6.831195|0.142665|7.250288|5.585224|4.534041|3.980533|4.073433|4.823032|5.853518|7.879305|8.925595|17.746947|8.950243|5.666666|4.964855|5.659583|6.529701|7.427920|3.892543|5.479111|8.524868|4.432151|0.043138|0.043539|0.042920|0.052303|0.053021|0.067215|0.096277|0.070492|0.054203|0.055013|0.047805|0.138016|0.108884|0.124078|0.111675|0.093853|0.096707|0.121939|0.132776|0.500000|
|1.405902|1.582560|2.877938|1.808261|2.033876|2.344244|2.321954|1.998825|1.796191|2.849414|1.552329|2.676010|0.068412|2.981353|3.487594|3.793706|4.057097|0.097540|4.777535|3.703129|3.538117|3.327063|3.283246|3.435182|3.643354|4.629572|5.642227|8.924570|17.748461|8.930555|5.642668|4.970294|7.507118|12.406303|7.363904|3.467516|6.027825|3.020182|0.037766|0.037893|0.038031|0.045231|0.045449|0.055720|0.073061|0.053983|0.044047|0.044226|0.039639|0.088008|0.073215|0.090968|0.093199|0.084716|0.083039|0.088859|0.084940|0.217516|0.500000|
|1.306361|1.450109|2.732709|1.723184|1.845879|2.131282|2.299528|2.072384|1.809212|2.938572|1.675802|2.798851|0.078642|2.892272|3.635521|4.664694|7.038743|0.221826|7.977773|4.600509|4.295696|3.347221|2.915955|3.009937|3.632639|4.589979|8.833381|5.654954|4.967868|5.667655|9.055637|17.709838|13.248091|7.658119|3.343921|4.263040|8.613212|3.190488|0.035843|0.035445|0.034721|0.041104|0.040505|0.048555|0.062127|0.059179|0.048980|0.048059|0.042720|0.075429|0.072336|0.187340|0.133592|0.085524|0.070267|0.073313|0.079673|0.123861|0.107819|0.500000|
|1.138503|1.250207|2.298228|1.418379|1.528810|1.713097|1.763075|1.597573|1.445901|2.366909|1.326692|2.016322|0.054846|2.092739|2.433097|2.801345|3.380483|0.093539|4.183337|2.921704|3.011850|2.673280|2.381694|2.341573|2.550702|3.200062|4.432282|4.217200|5.079491|7.991603|10.106489|6.071992|35.685488|15.948034|5.511591|2.695378|5.225334|2.271088|0.031158|0.030780|0.030713|0.035681|0.035115|0.041332|0.050692|0.044547|0.038281|0.037601|0.034339|0.057591|0.053207|0.090401|0.091183|0.072789|0.060500|0.058988|0.058658|0.095002|0.118509|0.152117|0.500000|
|1.131899|1.242797|2.237023|1.367464|1.496317|1.652495|1.637739|1.471013|1.357847|2.212471|1.215887|1.810524|0.047839|1.913694|2.131976|2.308830|2.526937|0.066417|3.166443|2.375794|2.440792|2.356092|2.233105|2.190529|2.249455|2.858176|3.168448|3.597181|4.869897|5.862396|4.419257|3.415178|7.642521|16.978658|17.642195|2.231331|4.100247|2.007617|0.030692|0.030516|0.030909|0.035608|0.035332|0.041397|0.049865|0.040125|0.034589|0.034317|0.031602|0.054947|0.048885|0.064494|0.068883|0.064644|0.059055|0.057263|0.054146|0.088643|0.144535|0.082505|0.144172|0.500000|
|1.261701|1.400532|2.517671|1.552863|1.725035|1.928959|1.892502|1.669361|1.532011|2.466335|1.344563|2.105117|0.054683|2.230626|2.482030|2.707811|2.893793|0.074847|3.490529|2.606217|2.579747|2.461095|2.386063|2.416390|2.517190|3.262248|3.728796|4.553432|6.681266|7.059973|4.786632|3.808305|7.447216|16.464106|17.564003|2.645912|4.832031|2.382981|0.034115|0.033856|0.034421|0.040343|0.039915|0.047846|0.059231|0.045132|0.038276|0.037880|0.034720|0.065022|0.055956|0.069370|0.071086|0.065615|0.062398|0.063645|0.061496|0.112613|0.220701|0.088772|0.130634|0.299792|0.500000|
|1.203922|1.330622|2.400623|1.477587|1.628547|1.816892|1.799559|1.599631|1.466839|2.373725|1.301340|2.009407|0.052654|2.184004|2.473776|2.640824|2.890217|0.073317|3.648751|2.836704|2.931507|2.875973|2.751440|2.685562|2.717094|3.380372|3.711587|4.539042|6.671058|7.027875|4.754580|3.785030|7.397922|16.462073|17.563362|2.467911|4.413999|2.206786|0.032457|0.032555|0.032801|0.037944|0.038101|0.044973|0.055273|0.043526|0.036844|0.036969|0.033668|0.063345|0.055632|0.072983|0.080728|0.078058|0.072510|0.069778|0.063764|0.112374|0.222156|0.088156|0.129474|0.299882|0.298882|0.500000|
|2.243072|2.672166|5.319935|3.724224|4.190201|5.589557|6.761383|5.206337|4.025620|5.840684|3.159153|8.753495|0.213145|5.535023|4.900621|5.559474|4.139849|0.118331|4.510519|2.896933|2.411871|2.148391|2.189945|2.534702|2.999745|4.942667|3.593484|3.425847|2.872999|2.586910|2.657368|3.071741|4.143051|3.965778|2.095294|9.008120|13.666022|17.605252|0.062046|0.059037|0.057579|0.077974|0.072231|0.100985|0.154461|0.138393|0.096805|0.086510|0.075054|0.139131|0.123695|0.082629|0.063847|0.053591|0.055115|0.069388|0.093766|0.101485|0.074825|0.083036|0.060144|0.052662|0.061835|0.056657|0.500000|
|2.254599|2.732221|5.259287|3.691814|4.533214|6.569705|6.735114|4.623677|3.719973|5.305654|2.777829|8.810328|0.174426|6.931156|5.895524|6.297330|4.401176|0.115323|4.717170|3.173587|2.616243|2.361366|2.460248|2.910956|3.425885|5.778466|4.030858|4.173017|3.426784|2.922149|2.870952|3.266446|4.342098|4.422524|2.381170|9.000748|11.835212|17.509837|0.060891|0.059339|0.058659|0.079851|0.076436|0.113213|0.220396|0.116081|0.081061|0.077447|0.066889|0.200486|0.140528|0.084146|0.067757|0.058295|0.061849|0.080866|0.109832|0.132332|0.091265|0.084168|0.063676|0.058807|0.071427|0.065046|0.302740|0.500000|
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