Version2.0 2020-02-18T05:03:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 25-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(=O)oc2c1cccc2OCC(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCCSC(C)(C)C C39696537 RHF 6-31G(d) (6D,7F) Cc1cc(=O)oc2c1cccc2OCC(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCCSC(C)(C)C C01[X(C27H38N3O5S1)] 216 C1 620 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)COc1cccc2c1oc(=O)cc2C)NCCSC(C)(C)C O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)COc1cccc2c1oc(=O)cc2C)NCCSC(C)(C)C CC1=CC(=O)Oc2c(OCC(=O)N3C[C@@H](C(=O)NCCSC(C)(C)C)C4(CC[NH2+]CC4)C3)cccc12 InChIKey=HQJPBAUONCCDNA-FQEVSTJZSA-O InChI=1S/C27H37N3O5S/c1-18-14-23(32)35-24-19(18)6-5-7-21(24)34-16-22(31)30-15-20(27(17-30)8-10-28-11-9-27)25(33)29-12-13-36-26(2,3)4/h5-7,14,20,28H,8-13,15-17H2,1-4H3,(H,29,33)/p+1/t20-/m0/s1 InChI=1/C27H37N3O5S/c1-18-14-23(32)35-24-19(18)6-5-7-21(24)34-16-22(31)30-15-20(27(17-30)8-10-28-11-9-27)25(33)29-12-13-36-26(2,3)4/h5-7,14,20,28H,8-13,15-17H2,1-4H3,(H,29,33)/p+1/t20-/m0/s1/fC27H38N3O5S/h28-29H/q+1 Cc1cc(=O)oc2c1cccc2OCC(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCCSC(C)(C)C C01[X(C27H38N3O5S1)] 216 C01 620 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)COc1cccc2c1oc(=O)cc2C)NCCSC(C)(C)C O=C([C@@H]1CN(CC21CC[NH2]CC2)C(=O)COc1cccc2c1oc(=O)cc2C)NCCSC(C)(C)C CC1=CC(=O)Oc2c(OCC(=O)N3C[C@@H](C(=O)NCCSC(C)(C)C)C4(CC[NH2]CC4)C3)cccc12 InChIKey=AOBBGBPLDLPHDP-FQEVSTJZSA-N InChI=1S/C27H38N3O5S/c1-18-14-23(32)35-24-19(18)6-5-7-21(24)34-16-22(31)30-15-20(27(17-30)8-10-28-11-9-27)25(33)29-12-13-36-26(2,3)4/h5-7,14,20H,8-13,15-17,28H2,1-4H3,(H,29,33)/t20-/m0/s1 InChI=1/C27H38N3O5S/c1-18-14-23(32)35-24-19(18)6-5-7-21(24)34-16-22(31)30-15-20(27(17-30)8-10-28-11-9-27)25(33)29-12-13-36-26(2,3)4/h5-7,14,20H,8-13,15-17,28H2,1-4H3,(H,29,33)/t20-/m0/s1/f/h29H 4204.5690262514 -1979.5943128 1-A 29032.6408 138 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10.50705
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|XX|YY|ZZ|XY|XZ|YZ| 37.3819 29.9456 -67.3275 25.8463 -1.9097 1.3258
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -389.7429 345.3861 35.0628 -83.7886 -17.4579 52.0873 34.1889 25.9980 -14.1350 -9.2909
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1655.5981 1662.5675 1671.8856 1688.0117 1714.1921 1781.6223 1806.1451 1828.0942 1839.2070 1932.3828 1946.8753 1964.8445 3187.7151 3195.7293 3202.4358 3205.9800 3214.4845 3218.3066 3236.2647 3241.1358 3254.3020 3258.8093 3259.0579 3260.3493 3266.6881 3266.8696 3276.7717 3277.3135 3278.7179 3284.7834 3289.8908 3292.4593 3297.6571 3301.7950 3308.0831 3314.2153 3314.7710 3331.2258 3332.2171 3332.9041 3333.4507 3335.6359 3383.9675 3385.5442 3399.1076 3412.5989 3417.1376 3672.4950 3736.9224 3887.9819 3.7366 5.5607 4.3878 5.6966 4.2217 4.6184 4.7246 4.8380 5.1443 7.0144 5.1426 2.9793 3.8223 5.8169 3.2352 4.1512 6.9723 4.8370 4.3123 2.1471 4.3866 4.1802 3.4621 1.4258 1.3525 2.0061 2.5134 3.3800 2.6435 4.0577 1.3148 1.2138 2.7893 2.7223 2.1126 2.7396 3.7776 2.8696 2.4146 3.8732 3.0299 3.0901 2.4754 2.5637 6.6569 2.7979 6.7249 2.2095 1.7169 3.4567 4.5288 2.6514 4.8663 2.6799 6.4527 3.6430 3.7545 3.7355 4.5434 4.1009 4.6773 3.0892 3.7302 3.1356 5.6215 3.4503 4.8207 2.1712 2.2936 2.8445 3.7339 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8339.8510 44977.0812 50586.0836 1.00000 0.00103 -0.00018 -0.00103 1.00000 -0.00003 0.00018 0.00003 1.00000 1 0.01039 0.00193 0.00171 0.21640 0.04013 0.03568 10.06 17.93 20.83 34.10 39.13 48.61 60.66 79.10 91.57 105.41 113.35 141.73 153.14 159.62 168.28 189.72 202.29 237.68 257.71 271.49 278.22 306.26 313.08 335.81 356.35 360.00 381.19 388.35 396.58 415.31 425.20 433.68 440.26 461.82 471.17 473.11 491.47 513.99 547.78 569.03 582.14 596.01 619.68 640.76 646.29 656.30 673.13 679.66 704.01 716.64 753.81 760.10 795.26 822.18 829.71 846.89 874.37 906.77 921.86 927.27 947.85 1015.85 1034.35 1080.97 1133.19 1164.08 1170.32 1195.51 1196.08 1219.20 1222.88 1251.85 1258.69 1273.09 1287.46 1299.55 1315.28 1330.96 1353.35 1367.88 1389.93 1394.15 1415.55 1450.53 1462.51 1470.44 1508.76 1517.42 1519.85 1526.97 1532.89 1551.47 1573.70 1591.54 1594.78 1602.46 1624.88 1630.78 1635.60 1643.48 1645.61 1653.97 1671.02 1682.29 1685.31 1694.87 1698.01 1716.05 1771.94 1775.35 1782.69 1840.43 1852.74 1893.20 1897.02 1902.69 1913.00 1932.13 1943.61 1950.97 1956.19 1958.29 1960.10 1977.40 1983.61 1994.26 2007.10 2019.47 2025.46 2041.14 2079.54 2081.68 2086.53 2101.58 2111.85 2165.70 2174.60 2180.66 2199.45 2213.01 2220.56 2231.25 2234.47 2239.22 2242.54 2249.81 2254.76 2256.49 2272.27 2281.55 2292.08 2334.43 2338.29 2338.31 2345.39 2346.58 2350.17 2351.01 2352.53 2352.89 2365.76 2366.10 2366.40 2372.68 2375.64 2380.75 2382.04 2392.06 2405.47 2428.67 2466.34 2563.36 2598.64 2630.22 2646.21 2780.27 2801.12 2826.97 4586.41 4597.94 4607.59 4612.69 4624.93 4630.43 4656.26 4663.27 4682.21 4688.70 4689.06 4690.92 4700.04 4700.30 4714.54 4715.32 4717.34 4726.07 4733.42 4737.11 4744.59 4750.55 4759.59 4768.42 4769.22 4792.89 4794.32 4795.31 4796.09 4799.24 4868.77 4871.04 4890.56 4909.97 4916.50 5283.90 5376.60 5593.94 0.681941 0.715796 0.716740 0.611346 -1978.912372 -1978.878517 -1978.877573 -1978.982967 3.534932D-04
MUNgauss RevisionA2.0 retrievium 18-Feb-2020 DUDE Cc1cc(=O)oc2c1cccc2OCC(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NCCSC(C)(C)C C39696537 RHF 6-31G(d) (6D,10F) C1 516.253218 |X|Y|Z| 155.160163 63.273597 30.892611
67.187084 23 6 7 8 19 2 2
|36.858105| |12.668714|36.858105| |7.686895|14.246183|36.858105| |4.968964|7.794827|13.103604|36.858105| |3.945880|5.371672|8.105035|15.934332|73.516695| |4.447945|6.854484|7.982655|14.194618|15.552578|73.516695| |4.987664|7.808755|6.934527|8.035890|9.862449|24.970180|36.858105| |7.408349|13.001258|7.901329|6.768849|8.449780|14.133889|13.720650|36.858105| |6.348007|7.538773|5.133285|4.525894|6.270691|9.274294|7.953783|13.634065|36.858105| |4.352171|5.045396|3.954346|3.810405|5.514858|8.229478|6.902568|7.912017|13.841629|36.858105| |3.659936|4.488144|3.821716|4.007528|5.868957|9.397792|7.983472|6.849939|7.949366|13.702767|36.858105| |3.815912|5.099044|4.604988|5.286588|7.495171|14.452070|13.697884|7.864142|6.853199|7.924180|13.823444|36.858105| |3.075686|3.945577|3.856459|4.715619|7.255633|12.537350|7.970336|5.199257|4.600954|5.221793|8.017471|13.998861|73.516695| |2.757013|3.434256|3.425654|4.156522|6.686766|10.120512|5.889527|4.261259|3.845811|4.286825|5.948736|8.057170|23.948460|36.858105| |2.694680|3.378290|3.587961|4.613165|7.894054|10.679569|5.251145|3.890049|3.339182|3.457360|4.313707|5.774065|13.837585|12.506977|36.858105| |2.699022|3.333426|3.564015|4.438429|7.677270|9.458040|4.699287|3.708112|3.193293|3.226865|3.823464|4.824420|9.961671|8.050808|15.865006|73.516695| |2.497083|3.103220|3.402905|4.502755|8.279945|9.917202|4.548966|3.444975|2.942306|3.003122|3.656742|4.795658|11.507096|7.728260|14.095805|15.173499|53.358707| |2.348088|2.879626|3.106304|4.000616|7.298239|8.779269|4.203700|3.224001|2.812091|2.920253|3.590317|4.601331|11.488777|6.441295|7.569912|9.407379|17.840473|36.858105| |2.076766|2.481089|2.725576|3.430627|6.627007|6.866155|3.268918|2.658318|2.338586|2.382047|2.793768|3.394441|7.564136|4.309290|5.183634|7.458070|11.015584|12.332690|36.858105| |2.033696|2.410810|2.644630|3.279871|6.337261|6.444525|3.100647|2.563173|2.265200|2.298450|2.663838|3.189070|6.898423|3.718736|4.195135|6.192280|7.980595|8.772772|17.557446|0.500000| |2.175106|2.611955|2.974203|3.841623|7.941026|7.266713|3.289203|2.705905|2.327229|2.305193|2.638190|3.230346|6.820924|3.977257|5.240894|8.138694|11.010620|7.857614|12.271329|0.241958|36.858105| |2.326735|2.831736|3.206567|4.198700|8.402565|8.223855|3.699064|2.978669|2.543591|2.527382|2.928636|3.655336|7.831729|5.002964|7.888902|12.544066|17.871807|7.844999|7.904467|0.158126|12.367831|36.858105| |2.419560|2.944471|3.486204|4.668314|10.456410|8.296466|3.569681|2.959549|2.479502|2.391659|2.684808|3.320712|6.674566|3.623557|4.508006|7.131694|8.368263|6.244278|7.598522|0.204866|12.320027|7.497355|36.858105| |2.455220|2.942241|3.605919|4.697079|11.515658|7.535106|3.259189|2.821646|2.352464|2.217565|2.415988|2.924947|5.587743|3.095928|3.846403|6.581925|6.402831|4.338345|4.889753|0.130478|7.422996|6.039283|12.527670|36.858105| |2.070806|2.398501|2.832143|3.444384|7.700003|5.694258|2.612700|2.314859|1.990463|1.900322|2.058089|2.418077|4.639845|2.634842|3.221012|5.627559|5.275539|3.635633|4.364487|0.116926|6.447175|5.114196|7.685965|12.601853|53.358707| |2.042872|2.333677|2.764623|3.267975|7.275562|5.274870|2.450882|2.215107|1.910707|1.809785|1.934665|2.247743|4.232702|2.410581|2.911624|5.214238|4.575304|3.107993|3.569744|0.095748|4.912952|4.297599|5.679385|9.160087|25.697412|0.500000| |1.955934|2.243623|2.616766|3.126150|6.814520|5.217037|2.434889|2.172188|1.885823|1.807843|1.953684|2.273198|4.361703|2.439997|2.896717|4.972651|4.741906|3.435398|4.230906|0.119227|5.757222|4.349330|7.007912|9.173554|25.691460|0.328386|0.500000| |1.913439|2.210001|2.541568|3.074153|6.538973|5.320450|2.492035|2.185567|1.906644|1.851933|2.030387|2.374561|4.665186|2.747197|3.440745|6.065579|5.739731|3.850498|4.829586|0.121412|7.486353|6.047875|6.520433|7.581859|17.232798|0.254741|0.255929|36.858105| |1.895878|2.209946|2.497445|3.063595|6.320177|5.562634|2.620338|2.246345|1.971262|1.948394|2.180213|2.569154|5.235328|3.087558|3.873156|6.457329|6.988299|4.985327|7.339629|0.174166|12.385843|7.421845|7.622815|6.475673|10.450696|0.157553|0.195352|12.507604|36.858105| |1.813064|2.115750|2.275308|2.746509|5.195537|5.438754|2.718083|2.272234|2.056255|2.126159|2.478969|2.890305|6.363656|3.820161|4.418081|6.642490|8.218222|7.604238|12.469775|0.246911|7.356184|6.056661|4.907494|3.719307|4.919426|0.085082|0.098266|4.265340|6.387539|36.858105| |1.746322|2.024148|2.174542|2.599372|4.920886|5.090892|2.559268|2.162044|1.964794|2.028136|2.346359|2.708889|5.866746|3.698707|4.424597|6.968554|7.814051|6.012231|7.952380|0.164475|6.553410|6.242503|4.322732|3.519555|4.806014|0.084620|0.093658|4.414240|6.377735|15.821370|73.516695| |1.682621|1.938148|2.053851|2.421615|4.507131|4.782523|2.458932|2.089087|1.923977|2.008739|2.331038|2.647136|5.745950|3.331556|3.575262|5.435916|6.119192|5.850543|7.857530|0.210610|5.088225|4.293543|3.954347|3.091510|4.115854|0.072686|0.084671|3.410210|4.686698|14.164006|15.119755|53.358707| |1.510485|1.713260|1.794509|2.068034|3.810984|4.047171|2.128468|1.844025|1.727409|1.815184|2.084421|2.302748|4.888087|2.885939|3.022859|4.748272|4.839744|4.223549|5.001466|0.133472|3.797333|3.434805|3.069004|2.544185|3.462121|0.062706|0.071139|2.884847|3.722828|7.745299|12.113752|17.803285|36.858105| |1.387585|1.557712|1.641096|1.872669|3.491468|3.579331|1.872701|1.649098|1.543933|1.602806|1.806042|1.982939|4.090562|2.402752|2.559489|4.145186|4.051015|3.371953|4.115002|0.112870|3.416278|3.030369|2.818487|2.413476|3.408711|0.062191|0.071112|2.868684|3.627456|5.803173|9.927563|10.457004|12.462323|36.858105| |1.245216|1.380361|1.437685|1.610910|2.967957|3.069090|1.635971|1.462130|1.388765|1.449482|1.618344|1.739850|3.529606|2.081135|2.165046|3.568982|3.284174|2.651075|3.009069|0.082267|2.607746|2.423279|2.229678|1.969955|2.773243|0.051763|0.057510|2.295958|2.736404|3.882366|6.985139|6.389664|7.006367|10.484025|388.023441| |1.150854|1.265756|1.324586|1.472888|2.735003|2.759137|1.464135|1.323383|1.254775|1.295938|1.427487|1.532217|3.053268|1.794985|1.891643|3.179135|2.851383|2.243170|2.566112|0.070587|2.338668|2.164381|2.035477|1.848298|2.666234|0.050355|0.055698|2.210119|2.550444|3.149950|5.783561|4.817522|4.478743|6.556592|73.296426|36.858105| |1.140553|1.252299|1.315800|1.461417|2.728604|2.716243|1.434623|1.301015|1.229653|1.262488|1.383777|1.488682|2.947796|1.706442|1.800884|3.018848|2.736909|2.175431|2.527099|0.071376|2.316240|2.089999|2.057935|1.872267|2.723383|0.051387|0.057869|2.222341|2.552592|3.003278|5.325221|4.623216|4.024958|5.844055|48.459792|12.438325|36.858105| |1.065839|1.163654|1.208981|1.330716|2.451884|2.491278|1.336040|1.217580|1.164269|1.206001|1.320895|1.401549|2.767604|1.624843|1.688428|2.854973|2.497138|1.949177|2.163442|0.059538|1.985502|1.872588|1.758394|1.612980|2.305291|0.043998|0.047955|1.882945|2.124535|2.578806|4.725934|3.900501|3.542902|4.520440|50.572564|12.414623|7.596344|36.858105| |1.162200|1.279150|1.345282|1.498840|2.799961|2.792410|1.472548|1.330952|1.256236|1.291091|1.419560|1.531167|3.045423|1.814115|1.946363|3.316205|2.929831|2.246103|2.583539|0.069530|2.430218|2.276143|2.085369|1.921843|2.818080|0.053473|0.058350|2.391909|2.726643|3.178799|6.120455|4.583144|4.072307|5.652909|48.496842|12.434610|7.565368|7.600793|36.858105| |17.618617|8.897277|7.365009|4.715665|6.995696|7.085809|4.159152|5.484882|4.686450|3.502613|3.073777|3.255451|4.859451|2.492724|2.499010|4.491828|3.204780|2.210455|1.994991|0.054447|2.119251|2.246115|2.381481|2.476148|2.856500|0.058172|0.055071|1.916386|1.871137|1.743233|2.993499|2.198982|1.451885|1.345421|8.583475|1.123722|1.117630|1.040136|1.137941|0.500000| |17.561547|8.893289|5.974335|4.273325|6.177492|7.097102|4.583717|6.653774|6.407978|4.443551|3.637791|3.667999|5.255098|2.715631|2.631224|4.763795|3.255428|2.224596|1.963462|0.052964|2.051350|2.226015|2.232526|2.264161|2.638241|0.053258|0.050690|1.817924|1.800545|1.738052|3.003138|2.195553|1.460381|1.341453|8.618854|1.120523|1.105181|1.041538|1.134103|0.301228|0.500000| |17.560346|8.890419|5.971586|4.275262|6.188975|7.094786|4.574967|6.647970|6.404317|4.437761|3.629663|3.657414|5.245195|2.597442|2.489927|4.356881|3.176412|2.245629|1.989990|0.054703|2.050027|2.158858|2.278909|2.277738|2.636295|0.052830|0.051382|1.791544|1.791981|1.743941|2.966294|2.228257|1.473380|1.352767|8.662202|1.124199|1.116878|1.043982|1.128923|0.301198|0.301866|0.500000| |6.997141|9.001618|17.769052|8.887088|13.058278|10.186970|4.991945|5.584148|4.114715|3.276839|3.149471|3.660480|5.683453|2.918821|3.109185|5.583126|4.098422|2.762842|2.508725|0.068090|2.781302|2.945750|3.290808|3.564563|3.866701|0.078679|0.073016|2.502049|2.400976|2.115493|3.614568|2.606885|1.683798|1.559297|9.743434|1.274886|1.271939|1.164803|1.298618|0.222573|0.152378|0.152302|0.500000| |7.177230|6.890524|4.663916|3.909597|5.585488|7.472919|5.652328|8.885301|17.758564|8.975334|5.657991|4.944959|6.496417|3.176419|2.838300|4.916756|3.459707|2.436035|2.078536|0.056265|2.082877|2.253865|2.224532|2.146577|2.503688|0.049492|0.048591|1.755514|1.796563|1.847146|3.153081|2.366446|1.574989|1.421682|9.161030|1.172527|1.151613|1.092772|1.174356|0.142002|0.215972|0.216499|0.109220|0.500000| |3.801837|4.095356|3.293792|3.146171|4.699911|6.526894|4.969320|5.633308|8.948152|17.742321|8.912638|5.648507|7.508053|3.636293|2.969891|4.986459|3.556590|2.564501|2.134167|0.057472|2.055604|2.234466|2.114980|1.972012|2.337907|0.045626|0.045626|1.681604|1.766529|1.939902|3.304504|2.523357|1.698317|1.506284|9.798506|1.234197|1.200952|1.156300|1.226429|0.086868|0.110364|0.110304|0.078500|0.216309|0.500000| |3.043372|3.582015|3.161934|3.350663|5.106834|7.601634|5.679278|4.941359|5.645371|8.862728|17.732869|9.011357|13.078242|5.861222|4.079100|6.369007|4.749683|3.507066|2.734577|0.072380|2.522083|2.784109|2.507654|2.237204|2.639612|0.050517|0.051410|1.938598|2.104616|2.488460|4.191418|3.232776|2.151298|1.846065|11.867922|1.458651|1.405932|1.355598|1.443151|0.072853|0.084668|0.084520|0.074599|0.124212|0.213798|0.500000| |2.403750|2.898996|2.887326|3.417493|5.662344|7.835898|4.536579|3.505952|3.286731|3.733283|5.054536|6.035949|16.788955|17.591737|8.878171|11.178278|9.309641|6.415202|4.360564|0.104260|3.799372|4.598622|3.344746|2.826935|3.369517|0.062709|0.064449|2.627085|3.018534|4.109315|7.079542|4.983398|3.221631|2.606663|16.132779|1.917336|1.803271|1.737151|1.924912|0.060939|0.065911|0.063821|0.069946|0.077333|0.091594|0.150637|0.500000| |2.854909|3.508480|3.397189|3.936277|6.207795|9.232315|5.770364|4.415460|4.120900|4.673249|6.371119|7.742841|16.390709|17.651538|9.028083|13.850628|7.792493|4.749838|3.501909|0.085698|3.360654|4.210281|3.122820|2.786520|3.268690|0.062104|0.061633|2.494206|2.719772|3.193773|5.638345|3.852923|2.526778|2.149068|13.521562|1.660118|1.574830|1.518316|1.685449|0.071027|0.080011|0.074087|0.080433|0.094455|0.110484|0.173452|0.300738|0.500000| |2.570846|3.210354|3.466715|4.549931|8.110923|10.357572|4.872147|3.634962|3.113778|3.208401|3.966693|5.263523|13.004227|6.110633|6.480222|8.375915|12.321544|17.620344|8.736644|0.224432|6.524394|6.170753|6.376891|4.385385|4.798092|0.084375|0.093765|3.523447|4.331718|5.617863|8.088305|6.567112|3.614875|2.973228|16.993941|2.049887|2.017303|1.800606|2.033130|0.066776|0.066615|0.068818|0.084274|0.074103|0.077117|0.105126|0.159354|0.127674|0.500000| |2.195743|2.645162|2.768791|3.413701|6.047845|7.489375|3.859796|3.017376|2.723827|2.917522|3.655920|4.491097|11.633748|6.764113|6.777879|8.574862|12.284054|17.597707|8.699101|0.193352|5.692182|5.890580|4.635932|3.486426|4.149812|0.074011|0.081065|3.268072|4.144428|7.457792|10.602201|8.644427|4.711190|3.548039|20.117277|2.323317|2.220009|2.031872|2.297089|0.057042|0.058411|0.058871|0.068550|0.065638|0.072149|0.103356|0.216220|0.136558|0.303384|0.500000| |2.101810|2.499163|2.771938|3.458261|6.751492|6.692614|3.175236|2.629618|2.302679|2.312527|2.661179|3.207108|6.802996|4.531815|6.780465|11.786248|12.397220|6.227976|6.600978|0.135119|8.750371|17.611488|5.513899|4.824515|6.185611|0.109355|0.108803|5.868489|7.154468|6.167843|13.113282|5.861959|3.590066|3.199711|18.285870|2.301697|2.183971|1.982873|2.469468|0.056489|0.056567|0.054334|0.071622|0.057258|0.057620|0.071534|0.121234|0.109453|0.135194|0.146307|0.500000| |2.524219|3.101304|3.618064|4.844082|10.113336|8.995633|3.898438|3.175831|2.655129|2.575434|2.923467|3.662668|7.422962|4.664887|7.286753|13.373170|12.488619|5.898077|5.693973|0.127181|8.620415|17.631005|7.152896|6.857281|7.431619|0.132128|0.122890|6.042171|6.186349|4.524795|8.288434|4.718697|2.876218|2.601362|15.210498|1.947754|1.892659|1.706033|2.054247|0.068249|0.067009|0.063991|0.092946|0.065588|0.062883|0.075637|0.113936|0.114443|0.144845|0.129130|0.302038|0.500000| |2.752959|3.466298|4.164198|5.989146|13.372054|10.982439|4.416303|3.524798|2.869956|2.746224|3.114838|3.998345|8.014388|4.141444|5.073282|7.747531|9.228699|6.939434|6.888928|0.186499|8.719075|7.007871|17.642135|9.099879|7.656544|0.127699|0.143684|4.898535|5.515784|4.469616|6.966885|5.046438|2.904146|2.606399|14.954241|1.899029|1.907750|1.661287|1.927822|0.074345|0.069719|0.071878|0.105521|0.070388|0.066308|0.079305|0.102779|0.097700|0.222707|0.139053|0.140317|0.193266|0.500000| |2.247668|2.680200|3.113463|3.967071|8.506370|7.038289|3.171592|2.690785|2.296808|2.226979|2.480393|2.993609|5.965954|3.170704|3.721440|5.887571|6.618956|5.439517|7.064528|0.227053|8.791140|5.487736|17.495043|8.913120|9.393574|0.144114|0.204753|5.701208|6.842522|4.742457|7.159381|5.509317|3.116574|2.907615|16.196827|2.088069|2.150721|1.795830|2.111608|0.061658|0.057420|0.059712|0.082635|0.057753|0.055267|0.064988|0.083320|0.076470|0.159262|0.118309|0.123052|0.141998|0.302782|0.500000| |2.624484|3.178779|3.970166|5.274525|13.457203|8.221222|3.489541|3.018428|2.485472|2.322471|2.522333|3.075950|5.802618|3.292144|4.232729|7.570893|6.755038|4.216174|4.445277|0.113497|6.616925|6.558483|8.753116|17.695866|12.379413|0.224710|0.180810|6.889250|5.666581|3.493489|6.073414|3.921394|2.413563|2.272573|13.398750|1.765585|1.765904|1.552677|1.848938|0.073620|0.067718|0.066408|0.109024|0.062868|0.057069|0.064339|0.081809|0.083534|0.116593|0.095002|0.144730|0.241293|0.216345|0.173336|0.500000| |2.559037|3.040267|3.795952|4.800408|12.016748|7.305106|3.191237|2.835762|2.355456|2.188450|2.343786|2.806334|5.210542|2.810031|3.341966|5.722817|5.329546|3.744222|4.078583|0.114024|5.433492|4.601134|8.788967|17.653370|12.321603|0.221682|0.224090|5.572454|4.886053|3.180106|5.298493|3.742557|2.295194|2.189198|12.898258|1.711583|1.748392|1.506794|1.764299|0.072734|0.064592|0.066191|0.107379|0.060253|0.054149|0.059888|0.071213|0.071139|0.109433|0.085804|0.105945|0.142697|0.214719|0.216709|0.303317|0.500000| |1.985443|2.299532|2.651642|3.210973|6.815240|5.538291|2.587822|2.269612|1.972980|1.910519|2.092098|2.453065|4.792799|2.888321|3.723494|6.842079|6.022448|3.779458|4.427805|0.107790|6.734801|6.652539|5.760755|6.947933|12.434619|0.224355|0.181220|17.625004|8.755452|3.966755|7.579840|4.290192|2.713973|2.656074|15.462411|2.083210|2.059569|1.796826|2.269395|0.055225|0.052782|0.051128|0.072442|0.050417|0.048082|0.055279|0.075817|0.073720|0.095270|0.089612|0.186994|0.201523|0.129312|0.132657|0.207141|0.142885|0.500000| |1.737601|1.973444|2.241200|2.633781|5.478680|4.551036|2.183488|1.946508|1.721139|1.676041|1.822629|2.094493|4.078286|2.398982|2.914585|5.176355|4.701808|3.234435|4.006229|0.103794|5.455616|4.604174|4.893373|5.568994|12.361861|0.222807|0.224317|17.623113|8.769903|3.765934|7.030878|4.263797|2.737919|2.818530|16.245442|2.260904|2.293056|1.920992|2.484214|0.048537|0.046054|0.045420|0.061845|0.044389|0.042653|0.048654|0.064519|0.061235|0.082832|0.078813|0.130144|0.126750|0.107876|0.127990|0.142349|0.126291|0.301271|0.500000| |1.794144|2.071255|2.324827|2.803951|5.729269|5.070435|2.424420|2.101310|1.859385|1.840958|2.048898|2.385139|4.824981|2.773171|3.318826|5.467862|5.827390|4.499390|6.811953|0.184893|8.796206|5.448969|6.851591|5.702716|9.442673|0.144638|0.207103|8.904555|17.487486|6.097517|10.005694|6.635002|3.842412|3.882502|20.329122|2.693494|2.775464|2.215520|2.834698|0.049293|0.047141|0.047555|0.062429|0.047312|0.046632|0.055190|0.076166|0.068049|0.112635|0.106683|0.144304|0.130674|0.139653|0.201751|0.131701|0.128724|0.173161|0.215085|0.500000| |1.775280|2.051971|2.279739|2.746464|5.501632|5.066825|2.447299|2.106890|1.874731|1.872950|2.102282|2.445886|5.020483|3.047598|3.809021|6.433152|6.685333|4.682753|6.606690|0.150821|8.783046|6.892615|5.519968|4.858689|7.621596|0.127005|0.143906|8.987955|17.648257|7.006927|14.509045|6.770507|4.107650|4.063379|21.557094|2.822448|2.757424|2.319368|3.099727|0.048477|0.047299|0.046666|0.060693|0.047539|0.047485|0.057022|0.084580|0.075041|0.109228|0.113748|0.217734|0.154775|0.122973|0.139900|0.126848|0.107487|0.212796|0.212995|0.303542|0.500000| |1.713795|1.974990|2.089279|2.459470|4.560356|4.862209|2.506558|2.131336|1.963448|2.049512|2.376335|2.696072|5.822080|3.239478|3.388793|5.114471|5.757474|5.794440|7.532168|0.238963|4.803161|3.948010|4.004665|3.079139|4.027958|0.071108|0.084169|3.207571|4.297067|9.406638|10.875072|26.086561|9.012506|6.255485|29.564832|3.223532|3.206135|2.664774|2.999793|0.045659|0.045355|0.046625|0.054044|0.049265|0.052513|0.067154|0.097731|0.076311|0.142107|0.172601|0.105599|0.090717|0.106076|0.118166|0.078554|0.077484|0.081641|0.081723|0.128065|0.119790|0.500000| |1.475389|1.665153|1.727354|1.971016|3.591098|3.872598|2.068506|1.802537|1.705971|1.807003|2.074678|2.259574|4.770541|2.761989|2.793244|4.374589|4.362596|3.858517|4.302499|0.119497|3.292012|3.011640|2.780038|2.317885|3.114088|0.056898|0.064291|2.525634|3.157837|5.828423|8.995125|12.594692|17.597777|8.823653|47.456495|4.170624|3.812575|3.468404|3.611278|0.039270|0.039630|0.040246|0.044941|0.043274|0.047262|0.060077|0.086312|0.067521|0.095111|0.122442|0.085648|0.071494|0.074576|0.079148|0.061141|0.059021|0.066317|0.066686|0.090990|0.093780|0.230736|0.500000| |1.514418|1.717990|1.791970|2.062033|3.777058|4.059735|2.148636|1.858477|1.747193|1.845821|2.129045|2.344538|5.005342|3.053949|3.203381|5.066168|5.019231|4.191957|4.696368|0.118483|3.693998|3.534036|2.936649|2.471867|3.353148|0.061217|0.067717|2.833442|3.596057|7.306863|13.331427|12.530771|17.648487|8.850219|46.233158|4.243799|3.622111|3.462214|4.057512|0.040334|0.040932|0.040870|0.046580|0.044187|0.048032|0.061401|0.096543|0.074647|0.097475|0.132935|0.105973|0.081918|0.077852|0.080589|0.066374|0.061569|0.075792|0.074489|0.098968|0.113261|0.182839|0.302442|0.500000| |1.401837|1.576007|1.672663|1.916787|3.609009|3.635698|1.882901|1.657411|1.541689|1.589529|1.785740|1.974396|4.060764|2.417511|2.643867|4.338545|4.216389|3.396645|4.256943|0.113008|3.698572|3.275820|2.967222|2.571866|3.715238|0.067612|0.077051|3.234115|4.139768|6.122409|11.492063|9.411525|8.903343|17.616222|55.959832|6.328212|5.569733|4.285728|6.441703|0.037892|0.037680|0.037749|0.044309|0.039457|0.041360|0.050333|0.072054|0.060259|0.082092|0.096699|0.098506|0.077768|0.074814|0.084005|0.067429|0.063972|0.082843|0.089377|0.122164|0.135252|0.151777|0.174111|0.216252|0.500000| |1.377709|1.543667|1.630970|1.857801|3.478705|3.524657|1.838141|1.625292|1.518695|1.568709|1.757802|1.930625|3.948623|2.271523|2.411214|3.898231|3.835865|3.244448|4.029362|0.116459|3.352181|2.878307|2.852530|2.435098|3.453394|0.062823|0.073451|2.844015|3.580608|5.266903|8.458848|9.638826|8.860052|17.587159|56.018584|5.992266|6.337362|4.222494|4.960429|0.037210|0.036818|0.037438|0.043202|0.038939|0.040944|0.049665|0.067578|0.056436|0.081493|0.093018|0.082331|0.069378|0.072885|0.083987|0.062731|0.061992|0.071836|0.078042|0.110986|0.107206|0.180197|0.209775|0.173980|0.300784|0.500000| |1.125821|1.233873|1.291120|1.429284|2.655183|2.663407|1.414420|1.285131|1.219392|1.255420|1.375284|1.472569|2.911180|1.669989|1.741237|2.902209|2.637338|2.121498|2.435741|0.069757|2.201116|1.984618|1.982311|1.793104|2.575191|0.048594|0.054872|2.067014|2.373171|2.853275|4.942987|4.500246|3.916062|5.383541|45.836825|8.765819|17.577679|6.909103|5.490586|0.030596|0.030271|0.030747|0.034620|0.031745|0.033255|0.038928|0.049129|0.042790|0.055186|0.060545|0.056966|0.050019|0.051508|0.057915|0.046894|0.046857|0.053280|0.058644|0.071781|0.070040|0.089002|0.108030|0.096148|0.132816|0.170041|0.500000| |1.083903|1.184077|1.244555|1.374208|2.568789|2.536139|1.340572|1.223586|1.157693|1.184176|1.289593|1.383162|2.715210|1.571670|1.661301|2.810061|2.504517|1.964547|2.261277|0.063715|2.118622|1.925402|1.904561|1.760804|2.581206|0.049184|0.054894|2.096721|2.352065|2.625064|4.702257|3.923399|3.300172|4.458146|36.056492|8.837904|17.533733|6.961460|6.902339|0.029596|0.029208|0.029474|0.033573|0.030237|0.031353|0.036298|0.045830|0.040572|0.050926|0.055286|0.055901|0.048982|0.049045|0.055171|0.046263|0.045906|0.054145|0.060797|0.070741|0.070237|0.076084|0.087087|0.084660|0.123583|0.131520|0.301003|0.500000| |1.200856|1.324620|1.400729|1.566481|2.946920|2.904465|1.520267|1.372532|1.288463|1.317712|1.447223|1.570102|3.119899|1.801446|1.921740|3.210103|2.963754|2.369523|2.829209|0.080554|2.596803|2.290877|2.294178|2.074772|3.050207|0.057052|0.065401|2.504380|2.920712|3.374436|5.916417|5.184164|4.361938|6.634629|44.264459|8.730798|17.558115|5.492149|6.885610|0.032733|0.032213|0.032608|0.037636|0.033443|0.034653|0.040647|0.052622|0.045891|0.060863|0.066375|0.066284|0.057304|0.058337|0.067214|0.053834|0.053576|0.063473|0.072124|0.090263|0.087579|0.099710|0.111004|0.106049|0.183303|0.217425|0.300913|0.302464|0.500000| |1.063846|1.161073|1.202405|1.321841|2.425717|2.483560|1.337574|1.218876|1.169092|1.215211|1.332790|1.409447|2.785948|1.649566|1.708348|2.898742|2.503626|1.937795|2.120918|0.057671|1.948296|1.867807|1.716129|1.576519|2.240608|0.042857|0.046223|1.837130|2.066846|2.539470|4.727311|3.797052|3.478531|4.223831|47.620569|8.747778|5.500059|17.567229|6.911610|0.028783|0.028974|0.028913|0.032115|0.030469|0.032422|0.038131|0.049245|0.042994|0.049496|0.056519|0.055341|0.047280|0.045269|0.048230|0.042474|0.040810|0.049202|0.051803|0.059001|0.063075|0.071344|0.094550|0.098083|0.112592|0.105355|0.140946|0.141463|0.122446|0.500000| |1.019275|1.108436|1.153132|1.264011|2.334165|2.350497|1.259310|1.153585|1.102816|1.137409|1.238527|1.312735|2.573125|1.508084|1.572847|2.678719|2.318056|1.793434|1.989545|0.054846|1.857111|1.752483|1.659621|1.540058|2.217184|0.042595|0.046211|1.805312|2.005174|2.328002|4.278288|3.451509|3.018618|3.779244|36.917568|8.835651|6.927294|17.547478|6.970728|0.027716|0.027678|0.027722|0.030991|0.028849|0.030322|0.035177|0.044440|0.039336|0.046279|0.051439|0.051488|0.044735|0.043465|0.047110|0.041206|0.040110|0.047866|0.051640|0.058152|0.060542|0.066010|0.081499|0.082043|0.103059|0.100728|0.170160|0.209103|0.141325|0.301441|0.500000| |1.051318|1.145920|1.186604|1.302568|2.391059|2.443077|1.316007|1.201430|1.152761|1.196960|1.310132|1.384195|2.728930|1.588660|1.634031|2.748196|2.412491|1.902681|2.096092|0.058319|1.904063|1.789491|1.704119|1.556282|2.205912|0.042077|0.046047|1.779585|2.009761|2.470195|4.433707|3.804914|3.447537|4.266655|47.317926|8.748379|6.939360|17.572798|5.501860|0.028463|0.028509|0.028706|0.031725|0.030077|0.031954|0.037448|0.047253|0.041210|0.049222|0.055361|0.052094|0.045349|0.044994|0.048613|0.041510|0.040613|0.047091|0.050120|0.058485|0.060143|0.073582|0.097361|0.091806|0.107521|0.114582|0.207517|0.172502|0.140807|0.301015|0.301201|0.500000| |1.227843|1.358566|1.438587|1.615553|3.042289|3.004047|1.568674|1.410228|1.321364|1.352803|1.491394|1.623736|3.244552|1.936510|2.110438|3.591424|3.226161|2.468674|2.916284|0.077977|2.768626|2.554355|2.335372|2.145822|3.189264|0.060029|0.066114|2.763126|3.200516|3.645891|7.130830|5.140459|4.440328|6.377452|44.467099|8.723975|6.851825|5.492732|17.563718|0.033438|0.033197|0.033033|0.038587|0.034220|0.035511|0.041908|0.056806|0.049660|0.061537|0.069286|0.077534|0.063517|0.059162|0.065685|0.057051|0.054209|0.072024|0.080344|0.093043|0.103304|0.091876|0.104794|0.121473|0.230802|0.154470|0.140079|0.169403|0.204505|0.140735|0.141560|0.122428|0.500000| |1.103450|1.207917|1.270872|1.406985|2.631850|2.600964|1.372777|1.249571|1.180749|1.208560|1.319420|1.418367|2.793749|1.656719|1.776480|3.050973|2.654656|2.019002|2.305453|0.062472|2.209726|2.072858|1.929637|1.805356|2.667655|0.051123|0.055424|2.244113|2.493513|2.745664|5.238940|3.903804|3.329575|4.377957|36.059544|8.834449|6.928918|6.935138|17.529988|0.030113|0.029925|0.029784|0.034247|0.030792|0.031958|0.037149|0.048434|0.043042|0.051313|0.056882|0.062097|0.052671|0.049560|0.054395|0.048281|0.046356|0.059189|0.065586|0.072201|0.077638|0.072466|0.083900|0.091642|0.135463|0.113126|0.141119|0.207951|0.171388|0.170484|0.209606|0.141441|0.302406|0.500000| |1.160549|1.276859|1.337747|1.488111|2.765543|2.784624|1.475761|1.333595|1.262909|1.302782|1.434741|1.542312|3.071638|1.850325|1.980183|3.391851|2.945685|2.231468|2.516676|0.066696|2.369299|2.273770|2.020134|1.865547|2.710621|0.051620|0.055468|2.309210|2.617921|3.113078|6.146487|4.421915|3.975825|5.109771|45.746717|8.770736|5.492647|6.945878|17.585935|0.031495|0.031583|0.031269|0.035784|0.032778|0.034435|0.040665|0.054861|0.047987|0.055779|0.063968|0.069340|0.057024|0.052279|0.056122|0.050387|0.047453|0.061873|0.066031|0.073886|0.083367|0.079581|0.098142|0.115894|0.159956|0.119531|0.122700|0.141073|0.140317|0.207719|0.172571|0.141138|0.301360|0.300871|0.500000|
1977.576323 -13029.624056 5108.035049 -240.151040 -6184.163723 4204.569329 -1979.594394 2.001020 408A40000000003D 4529B4509BE61F1E 44A7C1723CE728C6 42174E924B7FFFFC C086800000000003 43AA0E57B311EDC5