Version2.0 2020-03-01T22:10:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 17-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)c5cccc(c5C)C C39710212 RHF 6-31G(d) (6D,7F) Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)c5cccc(c5C)C C01[X(C28H39N7O1)] 219 C1 618 Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@H]([C@@H]1N=NNN1C(C)(C)C)[NH+]1CCN(CC1)c1cccc(c1C)C Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@H]([C@@H]1N=NNN1C(C)(C)C)[NH+]1CCN(CC1)c1cccc(c1C)C CC1=CC2=C[C@@H]([C@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)c5cccc(C)c5C)C(=O)[NH+]=C2C=C1 InChIKey=WHVIEIASCMVLJD-HDYLNDSGSA-P InChI=1S/C28H37N7O/c1-18-10-11-23-21(16-18)17-22(27(36)29-23)25(26-30-31-32-35(26)28(4,5)6)34-14-12-33(13-15-34)24-9-7-8-19(2)20(24)3/h7-11,16-17,22,25-26H,12-15H2,1-6H3,(H,30,32)/p+2/t22-,25+,26+/m0/s1 InChI=1/C28H37N7O/c1-18-10-11-23-21(16-18)17-22(27(36)29-23)25(26-30-31-32-35(26)28(4,5)6)34-14-12-33(13-15-34)24-9-7-8-19(2)20(24)3/h7-11,16-17,22,25-26H,12-15H2,1-6H3,(H,30,32)/p+2/t22-,25+,26+/m0/s1/fC28H39N7O/h29,32,34H/q+2 Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)c5cccc(c5C)C C01[X(C28H39N7O1)] 219 C01 618 Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@H]([C@@H]1N=NNN1C(C)(C)C)[NH+]1CCN(CC1)c1cccc(c1C)C CC1=CC2=C[C@H](C(=O)N[C@H]2CC1)[C@H]([C@@H]1N=NNN1C(C)(C)C)[NH]1CCN(CC1)c1cccc(c1C)C CC1=CC2=C[C@@H]([C@H]([C@@H]3N=NNN3C(C)(C)C)[NH]4CCN(CC4)c5cccc(C)c5C)C(=O)N[C@H]2CC1 InChIKey=UAOYNPOTMLBAMX-IHBRBHLJSA-N InChI=1S/C28H42N7O/c1-18-10-11-23-21(16-18)17-22(27(36)29-23)25(26-30-31-32-35(26)28(4,5)6)34-14-12-33(13-15-34)24-9-7-8-19(2)20(24)3/h7-9,16-17,22-23,25-26,34H,10-15H2,1-6H3,(H,29,36)(H,30,32)/t22-,23-,25+,26+/m0/s1 InChI=1/C28H42N7O/c1-18-10-11-23-21(16-18)17-22(27(36)29-23)25(26-30-31-32-35(26)28(4,5)6)34-14-12-33(13-15-34)24-9-7-8-19(2)20(24)3/h7-9,16-17,22-23,25-26,34H,10-15H2,1-6H3,(H,29,36)(H,30,32)/t22-,23-,25+,26+/m0/s1/f/h29,32H 4001.6554382919 -1538.4119376 1-A 22649.6281 131 487 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.80831 -15.93562 -15.90737 -15.88377 -15.85731 -15.83602 -15.82220 -15.75440 -11.63202 -11.59838 -11.56689 -11.55903 -11.54455 -11.54422 -11.52723 -11.52487 -11.51900 -11.50723 -11.49931 -11.48567 -11.48200 -11.47497 -11.47078 -11.46810 -11.42148 -11.41641 -11.40374 -11.39450 -11.39343 -11.38492 -11.37743 -11.37632 -11.36931 -11.36376 -11.36035 -11.34363 -1.70726 -1.68360 -1.57609 -1.55731 -1.48755 -1.45104 -1.42275 -1.40871 -1.38102 -1.31762 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5.96088
-14.5101 -5.0590 0.7636 15.3857 |XX|YY|ZZ|XY|XZ|YZ| -33.8829 -145.6799 -193.0287 40.5802 -9.9159 -0.7561
|XX|YY|ZZ|XY|XZ|YZ| 90.3142 -21.4827 -68.8315 40.5802 -9.9159 -0.7561
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -400.6869 91.2720 -10.7258 -195.9426 -382.3661 47.1069 -23.8196 -21.4060 -35.4458 -30.6928
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0.9026 16.8053 20.8488 0.3137 7.2020 0.9848 3.7979 1.9568 11.7421 85.2808 8.1570 36.7341 1.6266 3.3618 1.3950 1.8293 5.5495 85.2085 5.9662 78.4717 3.8589 6.8233 9.5994 11.0896 16.0287 1.7607 10.1278 1.9219 27.3009 4.3438 2.8516 31.0111 29.3872 5.9792 1.7216 20.7332 14.1381 1.5997 1.8274 95.3205 11.0569 5.8921 2.7667 2.0578 15.6229 18.5823 3.1795 1.9092 5.6016 3.4141 12.4584 12.0555 9.1663 17.9963 4.8821 2.3454 23.0927 26.2421 4.9088 15.8199 9.4945 75.8671 22.3879 12.9478 3.5329 7.9243 2.7137 18.9071 12.5092 12.0576 2.3212 98.5930 17.5812 142.4341 18.7663 41.3456 64.1594 26.9668 8.5725 66.6601 108.2120 49.6813 7.4659 2.4572 207.9709 221.8892 176.9334 122.6757 1.4435 132.0609 23.3139 54.6424 59.8622 116.0364 53.2464 35.2826 10.1018 45.5812 64.1107 129.7827 76.6926 143.8826 63.6155 73.8266 46.2910 64.1476 22.0528 70.1503 94.0648 67.7843 29.3860 201.2120 174.7193 42.4195 21.7631 73.9097 97.4036 0.7500 0.7464 0.7431 0.7490 0.7498 0.7416 0.7321 0.7448 0.7442 0.6513 0.6361 0.6634 0.7429 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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 67 68 69 70 71 72 73 74 75 6 6 6 6 6 7 1 6 8 6 1 6 6 6 6 1 6 1 7 7 7 7 6 6 6 6 7 1 6 6 7 6 6 6 6 6 6 6 6 6 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 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 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
11740.5221 31953.3360 37204.3031 0.99996 -0.00345 0.00763 0.00333 0.99989 0.01451 -0.00768 -0.01448 0.99987 1 0.00738 0.00271 0.00233 0.15372 0.05648 0.04851 20.41 28.24 34.11 43.81 49.25 79.50 86.74 91.80 101.45 129.07 131.80 146.58 160.91 176.99 209.87 224.26 231.07 255.63 263.11 275.58 285.39 322.22 328.25 359.67 382.86 395.23 408.27 412.63 425.74 447.43 452.96 459.81 485.61 490.90 507.80 544.36 548.53 558.38 559.93 606.51 623.64 631.53 685.48 697.59 714.58 740.16 753.66 769.48 782.04 789.67 806.70 810.76 820.83 833.98 869.96 903.99 912.29 935.14 942.58 948.60 1019.72 1045.48 1088.34 1107.72 1113.67 1143.77 1158.57 1166.36 1189.58 1238.73 1246.59 1270.08 1279.82 1284.34 1310.41 1314.92 1348.54 1365.34 1389.25 1431.84 1449.24 1453.34 1463.51 1466.12 1476.20 1477.02 1486.63 1491.74 1519.43 1523.44 1560.22 1564.11 1596.14 1601.03 1611.79 1617.00 1624.88 1640.65 1642.46 1654.04 1656.93 1658.32 1660.37 1684.03 1695.33 1700.60 1704.47 1708.21 1747.70 1758.79 1789.51 1800.96 1815.18 1850.69 1857.02 1867.33 1868.57 1883.03 1910.22 1918.34 1927.22 1933.41 1941.81 1953.90 1971.59 1986.70 1990.64 2006.13 2029.19 2032.84 2039.99 2047.50 2085.13 2089.93 2124.36 2142.97 2158.22 2166.40 2180.13 2195.87 2220.68 2232.23 2238.31 2242.18 2248.81 2251.49 2266.03 2267.48 2273.51 2282.98 2286.27 2294.06 2314.03 2320.81 2328.21 2330.99 2339.91 2341.05 2343.09 2347.59 2349.23 2350.63 2357.63 2358.78 2360.98 2364.55 2374.99 2375.56 2377.67 2380.12 2382.56 2385.62 2401.87 2477.35 2563.79 2567.22 2590.39 2624.81 2640.39 2925.38 4501.81 4512.11 4610.24 4619.06 4623.04 4628.14 4628.34 4634.62 4637.64 4658.89 4694.14 4698.29 4719.38 4724.10 4724.91 4727.50 4732.05 4739.45 4748.92 4750.78 4751.31 4754.44 4756.65 4766.63 4769.33 4780.59 4821.28 4825.26 4833.83 4858.39 4870.88 4875.86 4880.92 4885.06 4895.01 4936.90 5279.14 5445.56 5483.98 0.698964 0.731272 0.732216 0.633164 -1537.712974 -1537.680666 -1537.679722 -1537.778774 3.322220D-04
MUNgauss RevisionA2.0 retrievium 01-Mar-2020 DUDE Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@H]([C@@H]3N=NNN3C(C)(C)C)[NH+]4CCN(CC4)c5cccc(c5C)C C39710212 RHF 6-31G(d) (6D,10F) C1 489.321609 |X|Y|Z| 125.451863 70.277009 44.412372
73.158499 28 6 7 21 7
|36.858105| |12.627821|36.858105| |7.491593|13.247744|36.858105| |4.967341|7.658508|13.885075|36.858105| |4.365545|6.664846|8.008170|13.691609|36.858105| |3.334838|4.528601|5.258243|7.975667|14.122710|53.358707| |3.040423|3.974350|4.834072|7.379296|9.353537|25.854395|0.500000| |2.877972|3.717379|3.957842|5.156918|7.822842|18.755695|0.262549|36.858105| |2.454157|3.042732|3.264028|4.125139|5.460140|11.601339|0.219738|16.098433|73.516695| |3.002613|3.845500|3.752061|4.456110|6.603496|10.462893|0.157100|12.458636|14.215039|36.858105| |2.833791|3.549696|3.466599|4.048032|5.638136|8.782825|0.140474|9.254092|12.405019|17.488618|0.500000| |3.836182|5.189158|4.638821|5.191252|7.898528|9.358390|0.140248|7.510392|9.309900|12.666870|0.254924|36.858105| |4.937350|7.794148|6.901853|7.780613|13.169872|10.737684|0.159137|6.615786|8.345862|7.586648|0.174772|14.144207|36.858105| |7.562088|14.159267|8.030650|6.743408|7.638884|6.961531|0.116911|4.400977|6.152830|4.945878|0.123581|7.785475|13.122850|36.858105| |2.536350|3.078166|2.975333|3.390860|4.490947|6.991629|0.118384|7.612597|12.119802|12.213279|0.244487|7.255516|5.023084|3.801686|36.858105| |2.286612|2.744163|2.730856|3.159989|4.072375|6.732216|0.119536|7.632632|14.701724|8.997093|0.211576|5.486928|4.217258|3.259904|17.701263|0.500000| |2.588485|3.111236|2.986211|3.340138|4.277539|6.328959|0.110007|5.999004|9.679363|7.473292|0.152243|6.260491|4.790394|3.798154|12.281344|0.244209|36.858105| |2.719160|3.336288|3.303280|3.810201|4.947452|7.549193|0.131107|6.983796|11.091569|7.303324|0.144816|6.227353|5.193917|3.996814|8.947607|0.210218|17.555085|0.500000| |2.886528|3.426612|3.111673|3.310905|4.145368|5.561523|0.096072|4.753110|7.305477|6.270090|0.135183|6.752684|5.122158|4.342832|7.823680|0.157152|13.033191|0.253364|53.358707| |2.572690|2.928325|2.667575|2.780544|3.309224|4.451163|0.079847|3.701717|5.987982|4.522237|0.104862|4.741241|3.911547|3.543262|5.675063|0.126890|8.657661|0.183604|21.185638|53.358707| |2.237271|2.532200|2.384681|2.530308|2.974941|4.166289|0.076604|3.528874|6.003344|4.066568|0.095668|3.921810|3.319212|2.961265|5.415144|0.131061|8.533594|0.183209|12.231190|19.594349|53.358707| |2.200247|2.546314|2.459638|2.697019|3.255144|4.800838|0.088111|4.325003|7.629370|4.903427|0.112602|4.263646|3.518735|2.982413|7.443408|0.188902|13.128577|0.250250|11.293438|11.544970|18.197960|53.358707| |2.010147|2.307363|2.292872|2.538374|2.973157|4.483342|0.085756|3.914948|7.323923|3.974340|0.093748|3.458689|3.040409|2.607469|5.294304|0.152226|7.511499|0.202655|7.267455|7.460272|10.733286|17.225448|36.858105| |2.125104|2.437512|2.449041|2.702838|3.091959|4.563225|0.088571|3.738946|6.788711|3.634275|0.084882|3.348938|3.098867|2.701278|4.333524|0.119654|6.196717|0.197592|6.750987|6.894803|8.841737|10.261556|12.423001|36.858105| |1.923163|2.226504|2.264196|2.569635|3.026177|4.809820|0.094179|4.368514|8.973244|4.136089|0.099735|3.367746|2.974248|2.493622|5.426269|0.179454|6.286358|0.179878|5.900857|5.604660|6.946240|10.576024|12.447543|7.554535|36.858105| |1.763445|1.974771|1.948439|2.112435|2.407148|3.550704|0.068829|3.009179|5.621926|3.101896|0.076510|2.782800|2.479170|2.200194|3.978375|0.114221|5.007470|0.129664|5.633700|6.245562|9.093716|10.632279|12.431751|7.592929|7.637816|36.858105| |2.333328|2.731384|2.569371|2.808859|3.526137|5.159843|0.090572|4.951574|8.201585|7.333328|0.194352|5.702674|4.078172|3.351719|12.554629|0.253791|7.561510|0.154441|9.084988|7.461421|6.975943|8.472597|4.374545|3.535128|4.304416|3.669529|53.358707| |2.401514|2.777718|2.555782|2.732129|3.378719|4.751381|0.083580|4.319240|7.013613|6.197413|0.156822|5.584966|4.035536|3.439626|9.299118|0.186444|7.757387|0.152330|11.250448|9.529080|8.230090|8.973008|4.383840|3.605545|4.007413|3.749806|25.668764|0.500000| |2.353439|2.732371|2.544740|2.745503|3.400993|4.853825|0.085452|4.443352|7.217196|6.498757|0.210865|5.461497|3.982670|3.352558|7.336599|0.171704|4.962665|0.114609|6.592980|5.576082|5.068889|5.689120|3.260735|2.792236|3.291762|2.847324|17.168062|0.260308|36.858105| |2.096692|2.349069|2.170809|2.283277|2.708700|3.784126|0.068592|3.282199|5.493619|4.305635|0.131800|3.969618|3.130320|2.803748|4.882075|0.121541|3.870115|0.090611|5.394138|4.957318|4.565635|4.844781|2.842505|2.443385|2.809315|2.615770|10.424311|0.202077|12.493824|36.858105| |1.837077|2.043760|1.926139|2.041639|2.389804|3.415185|0.063203|2.980748|5.207727|3.681709|0.110094|3.266910|2.661016|2.380647|4.407677|0.117804|3.590196|0.084406|4.757481|4.541713|4.436527|4.801915|2.886837|2.416161|2.900547|2.743011|8.997423|0.168175|7.838796|13.231201|53.358707| |1.819709|2.032520|1.925564|2.053446|2.413089|3.485530|0.064640|3.086931|5.480523|3.772463|0.106614|3.287643|2.668817|2.366506|4.959926|0.134061|4.211232|0.095629|5.407510|5.333401|5.470002|6.037693|3.519069|2.813554|3.468167|3.405521|10.372746|0.199990|6.651490|7.994163|17.971167|36.858105| |1.971166|2.254830|2.162869|2.360301|2.850683|4.250260|0.077917|3.977631|7.181709|4.967611|0.136228|3.969184|3.122059|2.654646|7.622827|0.215676|5.787960|0.125724|6.625625|6.156986|6.475976|8.108717|4.488279|3.414915|4.595118|4.033699|17.011461|0.256795|7.749206|6.674066|10.692026|12.537465|36.858105| |1.656597|1.807931|1.703655|1.783315|2.039517|2.880167|0.054068|2.436477|4.275308|2.892704|0.085858|2.661892|2.249122|2.067157|3.307297|0.089389|2.853130|0.068993|3.860351|3.788661|3.719573|3.894169|2.430264|2.079116|2.426994|2.379126|6.033246|0.119429|5.086128|7.828689|17.938484|7.816854|5.090903|36.858105| |1.625523|1.749736|1.631898|1.685241|1.907363|2.648989|0.049766|2.199907|3.818998|2.602545|0.075484|2.481850|2.122690|1.993654|2.949769|0.078092|2.665010|0.064557|3.734435|3.769784|3.663156|3.681911|2.296776|1.992950|2.230898|2.285056|5.244157|0.110392|4.228764|6.252828|10.594330|6.199636|4.218337|13.687722|36.858105| |1.476168|1.569928|1.469978|1.509156|1.682975|2.329057|0.044190|1.903543|3.320842|2.196822|0.063628|2.115685|1.851912|1.761780|2.432946|0.065182|2.237616|0.055311|3.131171|3.179064|3.109933|3.104185|1.990696|1.755002|1.941109|2.004269|4.104275|0.085858|3.274797|4.400721|6.981919|4.381653|3.270286|7.938937|13.831721|36.858105| |1.379777|1.467929|1.388088|1.431161|1.587847|2.213310|0.042316|1.804920|3.180328|2.047712|0.059931|1.949481|1.722957|1.632752|2.240068|0.061121|2.038894|0.051048|2.799096|2.808468|2.773853|2.818398|1.842083|1.628680|1.830296|1.852651|3.691185|0.075135|2.972789|3.826532|6.174642|3.825230|2.974550|6.917347|7.989278|13.745751|36.858105| |1.396545|1.499297|1.429151|1.487248|1.658499|2.338223|0.044785|1.924479|3.422048|2.174676|0.064564|2.028344|1.784853|1.669276|2.378293|0.065916|2.114275|0.053039|2.844100|2.809833|2.791885|2.903276|1.904881|1.671638|1.929929|1.898090|3.923368|0.077545|3.216409|4.094475|6.948789|4.107075|3.224840|7.924316|6.848900|7.882842|13.750101|36.858105| |1.523373|1.656622|1.579689|1.658582|1.876697|2.669991|0.050756|2.239673|3.988652|2.574995|0.077362|2.350820|2.028473|1.866352|2.864728|0.079685|2.470762|0.061193|3.281478|3.199762|3.178177|3.368149|2.173004|1.877308|2.220186|2.135671|4.903302|0.094530|4.126369|5.485487|10.567593|5.515593|4.143011|13.680373|7.856261|6.796709|7.894703|13.550139|36.858105| |1.515201|1.662706|1.607519|1.708999|1.938600|2.806684|0.053722|2.375558|4.307442|2.677758|0.082054|2.375299|2.057565|1.864583|2.943351|0.084516|2.472420|0.062043|3.189371|3.052093|3.057327|3.332775|2.186918|1.886112|2.304798|2.120704|4.870782|0.089975|4.124623|4.891062|8.898309|4.940058|4.156199|7.488795|4.982169|4.414932|5.022738|7.560562|12.597155|36.858105| |1.285560|1.375470|1.322980|1.378484|1.522552|2.154172|0.041670|1.756870|3.150523|1.941239|0.057756|1.807501|1.615372|1.513688|2.087491|0.058624|1.863997|0.047500|2.484295|2.444482|2.442404|2.554504|1.711305|1.516545|1.755435|1.706777|3.321359|0.065058|2.696494|3.217469|5.195822|3.231180|2.705815|5.012305|4.437379|5.022686|7.604234|12.600091|7.509638|6.523367|36.858105| |17.566055|8.869387|6.704340|4.586181|3.940947|4.207481|0.079641|2.666976|4.092723|2.749451|0.073760|3.397794|4.260388|5.909070|2.321510|0.058906|2.323092|0.067479|3.454892|3.099270|2.736184|2.716485|1.837012|1.925027|1.780111|1.624039|2.933664|0.060986|2.208516|1.981763|2.372292|1.710151|1.841004|1.583541|1.549800|1.416626|1.333137|1.352513|1.469188|1.467796|1.252994|0.500000| |17.566470|8.869867|6.709535|4.591826|3.945260|4.216081|0.079987|2.676206|4.120454|2.737106|0.070978|3.391601|4.258648|5.906448|2.367435|0.059789|2.469954|0.072803|3.729065|3.380852|2.970471|2.899943|1.975153|2.123824|1.878063|1.739945|2.948883|0.062112|2.147727|1.927175|2.330422|1.713854|1.856374|1.550550|1.526802|1.392430|1.302446|1.315233|1.428814|1.420235|1.213944|0.301772|0.500000| |17.612400|8.866188|5.525751|4.114115|3.884288|4.161608|0.076698|2.735286|4.163269|2.950932|0.077675|3.818715|4.649925|7.194258|2.537216|0.062893|2.595432|0.074195|4.048009|3.644407|3.120107|3.019476|1.999106|2.093719|1.892032|1.767913|3.248610|0.069212|2.422839|2.188080|2.585552|1.875023|2.007174|1.719494|1.703040|1.545779|1.434953|1.442583|1.570172|1.546088|1.320532|0.301712|0.301778|0.500000| |7.050355|8.817371|17.703088|9.069148|5.696718|5.782434|0.114347|3.310853|5.044700|3.110763|0.081151|3.675707|4.965848|5.712117|2.556888|0.066237|2.579285|0.078763|3.636236|3.196786|2.898631|2.972157|2.068541|2.221331|2.047471|1.783999|3.055174|0.062077|2.228315|1.937175|2.366125|1.736840|1.929823|1.555840|1.496215|1.359779|1.289606|1.325244|1.453213|1.479141|1.234715|0.192765|0.192856|0.140976|0.500000| |4.077192|5.517212|8.944285|17.741913|8.874949|9.793456|0.219354|4.727472|7.134441|3.879089|0.099724|4.185253|5.552370|4.887155|3.063927|0.081757|3.014764|0.095955|3.959406|3.394920|3.164631|3.403509|2.415943|2.585703|2.491470|2.024163|3.467976|0.068260|2.483206|2.087718|2.584039|1.914199|2.197258|1.669833|1.573545|1.418132|1.354299|1.411962|1.568554|1.628333|1.319066|0.108573|0.108720|0.095226|0.218738|0.500000| |3.768937|4.783919|4.031736|4.205618|5.630361|6.748006|0.109226|5.423766|7.462388|8.586280|0.202810|17.771070|9.140275|7.209272|6.569878|0.135855|5.891712|0.149684|10.013390|7.105079|5.553028|5.725898|3.305131|3.156989|3.120544|2.736805|8.237297|0.178527|6.001701|4.484580|4.801807|3.512175|4.081468|2.871364|2.722510|2.295917|2.081636|2.140631|2.480360|2.446862|1.881578|0.092276|0.092049|0.109229|0.091480|0.096500|0.500000| |6.911044|9.032474|5.654963|4.886082|5.518510|5.667018|0.097100|3.848167|5.534216|4.572789|0.116320|7.150396|8.790036|17.726987|3.710212|0.087055|3.729525|0.104509|6.146637|5.101450|4.138850|4.050810|2.549388|2.605939|2.396644|2.184915|4.675995|0.100840|3.481306|2.979616|3.382481|2.455956|2.699120|2.167472|2.118354|1.866559|1.712073|1.734394|1.934514|1.903677|1.559756|0.151013|0.150930|0.217022|0.124516|0.106426|0.219894|0.500000| |2.042111|2.270182|2.134576|2.243402|2.594429|3.626474|0.067457|3.046919|5.260544|3.494572|0.085293|3.368340|2.880097|2.622418|4.569059|0.114275|6.176402|0.137909|8.894071|13.383614|25.918603|12.568468|6.517184|5.263867|4.502264|6.697155|6.392936|0.154771|3.517293|3.325659|4.523592|4.205370|4.675529|2.839040|2.849231|2.420577|2.137108|2.128103|2.406454|2.277120|1.849196|0.051413|0.055362|0.058480|0.053506|0.057685|0.098851|0.075569|0.500000| |2.341887|2.744912|2.803564|3.161715|3.659222|5.466599|0.106010|4.405382|7.865600|4.093017|0.093117|3.779213|3.571991|3.040811|4.639217|0.126887|6.635934|0.248834|7.070811|6.651719|7.642527|9.057390|8.677871|17.545019|6.895180|5.481898|4.878864|0.100098|2.868682|2.452042|3.238435|2.707724|3.321663|2.035960|1.939006|1.706815|1.589763|1.638869|1.845215|1.868386|1.491491|0.058596|0.065055|0.063295|0.069929|0.083941|0.095723|0.079660|0.124610|0.500000| |1.941500|2.199990|2.240298|2.469171|2.754720|4.087123|0.081516|3.283010|6.115771|3.106770|0.074564|2.859901|2.701124|2.387473|3.593986|0.102294|4.663221|0.145894|5.267582|5.391807|6.665783|7.516795|8.865118|17.586131|6.860959|7.039639|4.104916|0.084321|2.455574|2.181132|2.972376|2.519737|2.995249|1.908495|1.829669|1.630339|1.526046|1.568250|1.746667|1.764633|1.436454|0.049313|0.054246|0.052877|0.057295|0.066877|0.074850|0.063758|0.118974|0.304099|0.500000| |2.162422|2.444224|2.409818|2.593348|2.926037|4.157295|0.079951|3.322646|5.839562|3.350065|0.078830|3.233948|3.013406|2.706743|3.927570|0.104238|5.661710|0.170253|6.967235|7.684718|9.921148|9.347598|8.747362|17.597286|5.485534|6.845018|4.556577|0.098136|2.675996|2.385968|3.184463|2.716465|3.191726|2.034082|1.982413|1.750782|1.611350|1.635838|1.823412|1.806202|1.478202|0.054003|0.060457|0.059744|0.060916|0.068191|0.086914|0.073683|0.163264|0.300641|0.302259|0.500000| |1.824741|2.099031|2.117545|2.386010|2.811799|4.450967|0.086660|4.112898|8.523145|4.050880|0.101310|3.234579|2.803303|2.361244|5.523139|0.193695|5.708128|0.149795|5.527342|5.283488|6.463248|9.676178|8.758711|5.482250|17.556903|6.964910|6.370700|0.117344|3.547997|3.054451|4.441037|4.008696|5.498380|2.698696|2.436677|2.104548|1.992843|2.123836|2.474414|2.594333|1.925031|0.047235|0.049140|0.050168|0.053277|0.064120|0.084568|0.063681|0.122022|0.140139|0.140546|0.122492|0.500000| |1.785126|2.043925|2.100688|2.374328|2.719069|4.289390|0.086454|3.716774|7.667738|3.422919|0.084533|2.880450|2.624695|2.243770|4.173327|0.134164|4.714589|0.138924|4.830991|4.691358|5.707999|7.636499|8.871359|6.910877|17.595950|7.018385|4.716200|0.090798|2.784590|2.434808|3.440483|2.963516|3.715094|2.170385|2.009696|1.776876|1.689499|1.778308|2.016850|2.099974|1.637467|0.046147|0.048815|0.048577|0.053469|0.065000|0.074355|0.059727|0.106198|0.172001|0.205860|0.140697|0.302797|0.500000| |2.078104|2.452746|2.533312|2.952595|3.556596|5.927334|0.116276|5.616038|12.265353|4.910970|0.115261|3.827188|3.392859|2.755700|6.180664|0.213653|6.813891|0.216748|6.133417|5.481619|6.327683|9.350882|8.686891|6.842359|17.563707|5.498433|6.067341|0.112406|3.458561|2.849226|3.902013|3.312882|4.447276|2.379165|2.171052|1.887914|1.786644|1.893311|2.185735|2.293913|1.728442|0.053399|0.056135|0.056240|0.063036|0.079760|0.094899|0.072191|0.110972|0.204803|0.168454|0.140091|0.299984|0.304190|0.500000| |1.767458|1.957645|1.910505|2.039713|2.300844|3.314346|0.063987|2.746722|4.997663|2.877006|0.071038|2.675385|2.403340|2.176367|3.594747|0.099171|4.612423|0.118895|5.630608|6.646955|9.969960|9.382018|8.726384|6.985443|5.512328|17.577890|4.629627|0.099922|2.684912|2.511726|3.540963|3.196336|3.625705|2.289741|2.247310|1.982071|1.814649|1.833449|2.040776|1.993976|1.643180|0.045021|0.048689|0.049547|0.048738|0.053994|0.074322|0.060665|0.219571|0.140621|0.177200|0.206608|0.140788|0.143102|0.122221|0.500000| |1.652737|1.841703|1.839312|1.998545|2.243118|3.327110|0.065680|2.773555|5.268828|2.768883|0.069114|2.488673|2.264490|2.020665|3.405832|0.099855|4.096880|0.111420|4.672527|5.031406|6.701549|7.654986|8.844024|6.862828|7.065562|17.593535|4.241180|0.086927|2.506358|2.311410|3.307529|2.936456|3.416088|2.142929|2.054116|1.829149|1.711595|1.758928|1.959879|1.966018|1.603011|0.042513|0.045543|0.045745|0.047199|0.053873|0.067287|0.055305|0.135975|0.141032|0.209157|0.166461|0.175143|0.214697|0.142853|0.303649|0.500000| |1.689773|1.886902|1.853204|2.005606|2.293757|3.391783|0.065527|2.914138|5.479195|3.065548|0.077184|2.711331|2.380327|2.111919|4.020669|0.117332|4.721615|0.117064|5.348389|5.885005|8.244234|9.840531|8.766873|5.501817|6.901757|17.556603|5.322866|0.109882|3.016704|2.822080|4.158660|3.937384|4.621372|2.643985|2.521956|2.196708|2.029077|2.086728|2.364394|2.340573|1.863926|0.043476|0.045979|0.047263|0.047128|0.053321|0.074846|0.058653|0.181401|0.122240|0.142055|0.140630|0.207064|0.170909|0.140330|0.299812|0.301969|0.500000| |2.229598|2.596712|2.480562|2.723802|3.362542|4.971280|0.088750|4.639825|7.813470|6.327888|0.228898|4.915433|3.749607|3.112672|6.711229|0.177494|4.430102|0.106997|5.542817|4.733792|4.463845|5.157071|3.101326|2.658133|3.277425|2.708163|12.330526|0.181991|17.634952|8.831436|9.647487|5.879085|7.103468|4.806879|3.829453|3.062958|2.888008|3.231763|4.200698|4.547984|2.777980|0.058830|0.056636|0.062859|0.060690|0.069486|0.138580|0.087294|0.086070|0.076340|0.065934|0.069587|0.099579|0.077701|0.097106|0.069847|0.067385|0.079887|0.500000| |2.679013|3.150049|2.863124|3.053848|3.835903|5.250441|0.090350|4.637407|7.111321|7.182785|0.237848|6.843971|4.757238|4.000053|6.758841|0.150282|4.837626|0.115092|6.880904|5.615744|4.870251|5.286678|3.057963|2.717867|3.037029|2.642624|12.245891|0.223708|17.657256|8.875467|7.715603|4.972740|5.610427|4.182955|3.697278|2.962917|2.686758|2.847072|3.493251|3.461065|2.429462|0.069526|0.066748|0.077189|0.068665|0.075088|0.225101|0.117455|0.092281|0.078938|0.066186|0.073149|0.087976|0.072130|0.090084|0.070203|0.065032|0.075971|0.298723|0.500000| |2.060936|2.287419|2.113649|2.206839|2.581262|3.573095|0.065245|3.024694|5.054025|3.850490|0.121786|3.638058|2.960924|2.698413|4.055457|0.103352|3.269172|0.079245|4.569198|4.197727|3.864464|4.069915|2.470589|2.171393|2.470338|2.284073|7.609958|0.146903|8.994990|17.614848|12.525840|5.741364|4.985287|7.317984|5.878250|4.406738|3.963980|4.305931|5.673119|5.098960|3.411566|0.054757|0.052298|0.059812|0.052690|0.056211|0.112942|0.079679|0.077983|0.060987|0.054466|0.058942|0.073932|0.060484|0.070208|0.061110|0.056987|0.067792|0.215843|0.215501|0.500000| |2.165030|2.397914|2.175964|2.251432|2.649982|3.616478|0.065413|3.069084|5.064582|4.023884|0.117332|3.947749|3.130292|2.880628|4.558325|0.109777|3.882400|0.090080|5.775749|5.458697|4.858890|4.902516|2.830419|2.462500|2.701968|2.628237|9.373983|0.213921|8.869743|17.410085|12.197183|7.052585|5.782061|6.702184|6.473002|4.515804|3.714036|3.739316|4.659695|3.983686|2.939672|0.056380|0.055343|0.063650|0.053952|0.056774|0.129715|0.087217|0.099538|0.068245|0.060680|0.068066|0.080154|0.065248|0.075436|0.071568|0.064000|0.078141|0.173543|0.217663|0.302423|0.500000| |1.656418|1.836719|1.758777|1.877535|2.175470|3.165030|0.059658|2.772480|5.041008|3.234326|0.091324|2.819405|2.354554|2.102510|4.136534|0.117394|3.638507|0.085258|4.583163|4.603328|4.892487|5.417229|3.347038|2.665848|3.365922|3.373676|7.581509|0.145523|4.978356|5.743746|12.515832|17.614721|9.012996|7.299414|5.794473|4.369082|3.959203|4.331284|5.733991|5.203836|3.440792|0.043461|0.043626|0.047184|0.044458|0.049160|0.082003|0.060104|0.106300|0.070437|0.067622|0.071118|0.110528|0.081625|0.087480|0.087133|0.082191|0.111455|0.131899|0.109278|0.128213|0.143287|0.500000| |1.843980|2.041510|1.911439|2.013349|2.350011|3.330131|0.061628|2.890910|5.044174|3.542589|0.097246|3.230736|2.637295|2.382066|4.610903|0.119159|4.242271|0.095149|5.774390|5.998542|6.097553|6.264487|3.557924|2.872713|3.323169|3.520052|9.291118|0.210095|5.748861|7.046331|12.202858|17.413538|8.857681|6.717428|6.435664|4.507662|3.722407|3.758499|4.690929|4.017810|2.956232|0.047832|0.048415|0.053234|0.047939|0.051864|0.098271|0.069654|0.135958|0.075861|0.070905|0.078909|0.103447|0.079278|0.087158|0.094815|0.082914|0.112468|0.133842|0.129106|0.143321|0.206528|0.302507|0.500000| |1.928547|2.201666|2.125324|2.323368|2.786120|4.172497|0.077267|3.875038|7.131196|4.604402|0.119408|3.740076|3.009474|2.568586|7.288773|0.213009|6.514929|0.138532|7.006249|6.808988|7.868100|10.752319|5.749856|4.028356|5.706804|5.204949|12.314541|0.221589|5.641805|4.983371|7.687976|8.783552|17.708685|4.161570|3.661661|2.940388|2.675253|2.843374|3.492911|3.481128|2.431616|0.049762|0.050997|0.054364|0.052866|0.060412|0.105313|0.072117|0.159203|0.105190|0.097012|0.103307|0.197667|0.123404|0.143471|0.125406|0.117175|0.173507|0.145046|0.126232|0.109409|0.129627|0.212339|0.214702|0.500000| |1.901468|2.182996|2.128779|2.353096|2.837522|4.343181|0.080617|4.133576|7.792486|4.919171|0.141776|3.762020|3.017492|2.539100|6.967080|0.228454|4.996364|0.116063|5.574768|5.078401|5.332818|6.746149|4.088047|3.174695|4.542834|3.651686|12.371669|0.181550|7.163937|5.919132|9.685569|8.842777|17.633844|4.812824|3.822297|3.058842|2.888807|3.239372|4.218129|4.590868|2.787108|0.049778|0.049686|0.053285|0.052943|0.061540|0.103693|0.070560|0.105529|0.087169|0.079060|0.080848|0.155778|0.103732|0.125610|0.089629|0.089145|0.114918|0.218098|0.145096|0.132453|0.134775|0.215701|0.173364|0.299044|0.500000| |1.720026|1.849376|1.707837|1.754371|1.991897|2.741360|0.051168|2.272948|3.902131|2.727643|0.077743|2.648246|2.248301|2.124422|3.124544|0.080795|2.884943|0.068996|4.159846|4.273632|4.086708|3.998002|2.442090|2.121812|2.317529|2.428214|5.636986|0.124718|4.401586|6.475059|9.749602|6.379340|4.378462|8.879060|17.697028|8.957008|5.668111|4.937896|5.606958|4.063807|3.547822|0.045214|0.044897|0.050399|0.043343|0.045208|0.082217|0.063405|0.089277|0.057151|0.053622|0.059261|0.069617|0.057617|0.062471|0.067196|0.059906|0.074086|0.105756|0.108791|0.158434|0.213763|0.155046|0.209866|0.107317|0.105378|0.500000| |1.441115|1.518955|1.416454|1.443591|1.598527|2.194781|0.041708|1.775888|3.085325|2.038968|0.058443|1.994349|1.762362|1.696551|2.243492|0.059724|2.107189|0.052340|2.990334|3.074821|2.996012|2.934971|1.891111|1.685172|1.822476|1.917321|3.714819|0.079089|2.909853|3.772128|5.662846|3.752111|2.903390|5.641760|8.930929|17.730790|8.904820|5.624258|4.913318|3.534820|4.101898|0.038389|0.037885|0.042102|0.036521|0.037665|0.060351|0.050182|0.065182|0.045418|0.043564|0.047102|0.054332|0.046581|0.049135|0.053281|0.048697|0.057949|0.074955|0.074827|0.104324|0.111753|0.103261|0.111331|0.074183|0.074801|0.215617|0.500000| |1.291664|1.364470|1.292699|1.327576|1.460305|2.029112|0.038996|1.638768|2.890459|1.837233|0.053541|1.762078|1.576199|1.504990|1.989215|0.054392|1.832418|0.046314|2.520831|2.538526|2.511106|2.536739|1.678459|1.498808|1.666470|1.696566|3.203619|0.065429|2.551813|3.163572|4.916345|3.162903|2.553153|4.975533|5.676886|8.945192|17.724386|8.949444|5.628263|4.099414|7.095188|0.034778|0.033973|0.037303|0.033536|0.035014|0.052048|0.043781|0.053728|0.040637|0.039238|0.041297|0.050067|0.043091|0.045185|0.046356|0.043871|0.051302|0.069198|0.065179|0.091317|0.086372|0.091233|0.086547|0.064925|0.069209|0.124665|0.215617|0.500000| |1.414287|1.547865|1.507441|1.605971|1.809075|2.634552|0.050927|2.221698|4.088648|2.447324|0.073809|2.165239|1.896923|1.720954|2.709172|0.079097|2.320256|0.058695|2.961591|2.860887|2.912427|3.184928|2.133015|1.835896|2.268284|2.098478|4.349905|0.080837|3.494581|3.962940|7.087005|4.421706|3.808671|5.851135|4.281183|3.964360|4.607849|6.740548|8.843763|17.553110|6.634551|0.038075|0.037051|0.039938|0.038722|0.042812|0.061377|0.048543|0.060567|0.050212|0.048159|0.048679|0.071443|0.058077|0.062109|0.054565|0.054567|0.064753|0.106294|0.082676|0.111023|0.093363|0.137559|0.101534|0.091882|0.117904|0.099086|0.090325|0.108588|0.500000| |1.623233|1.803017|1.748114|1.877377|2.159542|3.165925|0.060223|2.737613|4.992433|3.120571|0.097129|2.688175|2.291194|2.039893|3.474677|0.101229|2.814134|0.070126|3.561785|3.354541|3.362165|3.747588|2.433025|2.073928|2.599975|2.318075|5.846671|0.103785|5.041354|5.692275|10.598130|5.756306|5.088435|7.166386|4.707510|3.944608|4.169197|5.563274|8.828584|17.646605|4.772137|0.043530|0.042149|0.045849|0.044374|0.049571|0.076306|0.057535|0.068803|0.057345|0.053543|0.054691|0.082196|0.064923|0.072476|0.059890|0.059320|0.071152|0.163405|0.112475|0.158978|0.121898|0.162493|0.122878|0.113358|0.165645|0.111983|0.089889|0.095992|0.302028|0.500000| |1.495189|1.634260|1.582420|1.676942|1.887977|2.718779|0.052225|2.269069|4.089747|2.534678|0.078615|2.276140|1.996164|1.821177|2.693138|0.076877|2.267981|0.057659|2.950262|2.804921|2.780390|3.011157|1.990642|1.745513|2.099339|1.917058|4.338706|0.080626|3.767143|4.357653|7.066347|3.983419|3.510858|5.841266|4.276496|3.963583|4.611560|6.753458|8.843621|17.553420|6.661114|0.040512|0.038816|0.042337|0.040584|0.044476|0.064932|0.051570|0.057098|0.048408|0.045505|0.046511|0.064667|0.053508|0.058681|0.050298|0.049703|0.057962|0.116726|0.091002|0.133890|0.100123|0.112600|0.093691|0.083021|0.107196|0.098947|0.090306|0.108706|0.303496|0.301947|0.500000| |1.248320|1.340035|1.297355|1.359147|1.501313|2.141539|0.041625|1.753499|3.178982|1.916634|0.056798|1.764836|1.579499|1.471049|2.077671|0.059124|1.857865|0.047474|2.444250|2.407884|2.434459|2.569026|1.739241|1.533382|1.800965|1.745093|3.271053|0.063563|2.600955|3.019900|4.974534|3.208219|2.723144|4.574147|3.963945|4.294291|5.900331|8.815311|6.664695|6.598600|17.551431|0.033767|0.032851|0.035462|0.033666|0.036287|0.050594|0.041852|0.051240|0.041761|0.040541|0.041311|0.055269|0.046887|0.049030|0.046375|0.045769|0.053237|0.075256|0.064611|0.086797|0.076222|0.097775|0.080532|0.068604|0.079035|0.090254|0.099605|0.153753|0.217291|0.134692|0.177298|0.500000| |1.303811|1.395918|1.345118|1.402260|1.546549|2.187432|0.042349|1.777651|3.181254|1.959219|0.058949|1.824837|1.636669|1.533358|2.071899|0.058215|1.831921|0.046950|2.439671|2.375884|2.357177|2.476614|1.660207|1.480243|1.713541|1.637155|3.268931|0.063513|2.710282|3.187485|4.971510|3.030400|2.609462|4.572333|3.962919|4.294357|5.902002|8.814485|6.660860|6.590669|17.550520|0.035456|0.034085|0.037137|0.034890|0.037305|0.052576|0.043781|0.049116|0.040726|0.038936|0.039980|0.051966|0.044397|0.047312|0.043687|0.042797|0.049284|0.078770|0.068428|0.096614|0.079855|0.087525|0.076498|0.064706|0.075595|0.090222|0.099609|0.153836|0.176246|0.134682|0.217991|0.302534|0.500000| |1.219676|1.295520|1.244286|1.289223|1.413963|1.988438|0.038558|1.606964|2.872844|1.767055|0.052162|1.664561|1.499930|1.418057|1.890591|0.052819|1.713487|0.043854|2.302283|2.281193|2.276902|2.355809|1.586614|1.417604|1.615393|1.592187|2.975721|0.059016|2.388423|2.825158|4.430403|2.834019|2.394838|4.184515|3.993255|4.795484|7.362406|8.866409|5.554686|4.773114|17.607452|0.033067|0.032077|0.034866|0.032386|0.034302|0.048228|0.040681|0.048046|0.038667|0.037414|0.038578|0.048829|0.042091|0.044094|0.042876|0.041682|0.048080|0.067506|0.060707|0.082868|0.073568|0.083374|0.073916|0.060707|0.067667|0.090843|0.114263|0.228995|0.135192|0.104664|0.135543|0.302388|0.302383|0.500000|
1536.817092 -11534.434510 4671.213671 -213.664021 -5540.067768 4001.655726 -1538.412042 2.001038 40B3AFFFFFFFFFF0 4500CE536B37C9C3 44804BF3CCD13FC5 4274E493ACC5FFFE 3C11B578BFFFFFFE 44799EBDD8BD94B3