Version2.4 2021-04-30T07:54:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 16-Nov-2018 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1CC[NH+]([C@@H](C1)C)Cc2nc(c3ccsc3n2)N C51748254 RHF 6-31G(d) (6D,7F) C[C@@H]1CC[NH+]([C@@H](C1)C)Cc2nc(c3ccsc3n2)N C01[X(C14H21N4S1)] 114 C1 331 C[C@@H]1CC[NH+]([C@@H](C1)C)Cc1nc(N)c2c(n1)scc2 C[C@@H]1CC[NH+]([C@@H](C1)C)Cc1nc(N)c2c(n1)scc2 C[C@@H]1CC[NH+](Cc2nc(N)c3ccsc3n2)[C@H](C)C1 InChIKey=QEZJMCHLUDBKLX-NXEZZACHSA-O InChI=1S/C14H20N4S/c1-9-3-5-18(10(2)7-9)8-12-16-13(15)11-4-6-19-14(11)17-12/h4,6,9-10H,3,5,7-8H2,1-2H3,(H2,15,16,17)/p+1/t9-,10-/m1/s1 InChI=1/C14H20N4S/c1-9-3-5-18(10(2)7-9)8-12-16-13(15)11-4-6-19-14(11)17-12/h4,6,9-10H,3,5,7-8H2,1-2H3,(H2,15,16,17)/p+1/t9-,10-/m1/s1/fC14H21N4S/h18H,15H2/q+1 C[C@@H]1CC[NH+]([C@@H](C1)C)Cc2nc(c3ccsc3n2)N C01[X(C14H21N4S1)] 114 C01 331 C[C@@H]1CC[NH+]([C@@H](C1)C)Cc1nc(N)c2c(n1)scc2 C[C@@H]1CC[NH]([C@@H](C1)C)C[C]1[N][C]([NH2])[C]2[C]([N]1)SC=[CH]2 C[C@@H]1CC[NH](C[C]2[N][C](N)[C]3C=CS[C]3[N]2)[C@H](C)C1 InChIKey=YEWUULWMOIEUDP-NXEZZACHSA-N InChI=1S/C14H21N4S/c1-9-3-5-18(10(2)7-9)8-12-16-13(15)11-4-6-19-14(11)17-12/h4,6,9-10,18H,3,5,7-8H2,1-2H3,(H2,15,16,17)/t9-,10-/m1/s1 InChI=1/C14H21N4S/c1-9-3-5-18(10(2)7-9)8-12-16-13(15)11-4-6-19-14(11)17-12/h4,6,9-10,18H,3,5,7-8H2,1-2H3,(H2,15,16,17)/t9-,10-/m1/s1/f/h15H2 1614.4255169415 -1157.528854 1-A 6598.5019 74 257 331 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.07719 -15.83067 -15.70000 -15.68379 -15.67090 -11.45955 -11.44998 -11.42911 -11.42397 -11.42191 -11.41457 -11.36844 -11.35868 -11.35801 -11.35560 -11.35393 -11.35384 -11.35082 -11.31867 -9.08778 -6.77022 -6.76928 -6.76751 -1.47464 -1.44984 -1.37495 -1.30480 -1.26461 -1.24306 -1.20777 -1.16698 -1.12467 -1.10779 -1.08499 -1.05887 -1.01097 -0.99170 -0.98350 -0.94619 -0.91976 -0.88867 -0.88143 -0.84263 -0.83243 -0.82169 -0.79976 -0.77898 -0.77505 -0.75619 -0.74416 -0.73060 -0.72823 -0.72057 -0.70867 -0.70048 -0.69501 -0.68180 -0.67846 -0.66992 -0.65074 -0.64612 -0.63986 -0.63481 -0.62789 -0.59490 -0.59376 -0.58816 -0.58363 -0.57987 -0.57501 -0.53005 -0.49831 -0.45998 -0.41413 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.00100 0.02248 0.05214 0.07126 0.08537 0.10991 0.11509 0.11751 0.12115 0.13670 0.15531 0.16426 0.16816 0.16859 0.17220 0.17942 0.18531 0.18640 0.19096 0.20239 0.20404 0.21061 0.21486 0.23007 0.23383 0.24244 0.24480 0.24958 0.26108 0.27142 0.27487 0.28095 0.29395 0.30639 0.31937 0.32729 0.32954 0.33504 0.34248 0.35454 0.37541 0.39344 0.43208 0.44188 0.44309 0.46605 0.52381 0.54178 0.54536 0.55487 0.56394 0.57311 0.57944 0.58290 0.59927 0.61660 0.61950 0.63195 0.64173 0.67310 0.68090 0.68296 0.68703 0.70724 0.70905 0.72627 0.72709 0.74893 0.76520 0.76883 0.77540 0.78705 0.80131 0.80978 0.81783 0.83394 0.83772 0.84531 0.85169 0.87070 0.87998 0.88069 0.90293 0.90654 0.92380 0.93514 0.94165 0.95353 0.95929 0.96488 0.97054 0.97336 0.97918 0.99204 1.00600 1.00913 1.01335 1.01920 1.02929 1.03314 1.03764 1.04183 1.04916 1.06008 1.06988 1.07607 1.07784 1.08532 1.09258 1.09790 1.10230 1.10705 1.11731 1.12100 1.12419 1.14299 1.14887 1.15315 1.16340 1.17674 1.17870 1.19679 1.22680 1.23249 1.25130 1.25853 1.28004 1.30764 1.32029 1.34062 1.35638 1.37216 1.42564 1.44147 1.45567 1.46327 1.47598 1.49845 1.52636 1.53527 1.54181 1.56001 1.58584 1.58899 1.61857 1.62170 1.64603 1.66293 1.67197 1.70176 1.72933 1.74950 1.76276 1.80037 1.81714 1.82741 1.84588 1.88372 1.89407 1.90748 1.91347 1.92588 1.96615 1.97584 1.98158 2.01777 2.03286 2.03396 2.04868 2.06770 2.07249 2.08068 2.10474 2.11430 2.12623 2.14677 2.15723 2.16518 2.18532 2.19502 2.21147 2.22565 2.24196 2.24573 2.26802 2.30056 2.31886 2.32892 2.34498 2.35568 2.40412 2.40954 2.41752 2.42283 2.43574 2.44763 2.45324 2.45974 2.47722 2.49056 2.49900 2.53833 2.54626 2.56630 2.58095 2.58899 2.59351 2.61697 2.62805 2.64439 2.65831 2.67902 2.69470 2.71720 2.72473 2.74309 2.76727 2.78940 2.80754 2.83027 2.86617 2.90781 2.91615 2.94833 2.96521 2.97802 2.98807 3.00561 3.02414 3.03978 3.05222 3.11179 3.15106 3.19419 3.29814 3.37978 3.58829 3.73787 4.20055 4.26045 4.31981 4.40263 4.44381 4.49751 4.51908 4.53933 4.56833 4.59886 4.60636 4.64229 4.65522 4.67522 4.76600 4.81993 4.89053 4.94332 4.99943 11.29617 -2.0986 3.8969 0.6091 4.4678 |XX|YY|ZZ|XY|XZ|YZ| -51.8643 -100.8858 -114.2153 -1.2227 -2.2499 2.0535 |XX|YY|ZZ|XY|XZ|YZ| 37.1241 -11.8973 -25.2268 -1.2227 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2.0388 2.3163 1.8391 1.9238 2.3190 2.3210 4.8567 1.7070 2.0577 1.8274 1.7217 1.6915 1.6875 2.0579 1.7415 1.7774 11.4036 13.1451 12.0631 2.7796 6.4050 6.4478 6.4796 6.3236 6.3627 6.8717 6.8884 6.9362 6.7888 7.0134 6.8042 6.9862 7.1313 7.2789 7.2133 7.4053 7.4674 7.7169 8.5927 9.1199 10.2935 0.3077 0.4372 0.1368 3.1725 0.5013 1.3102 5.4437 2.4798 0.0927 20.0842 257.8731 0.1228 2.4666 0.0118 3.6573 1.2468 2.6152 0.7640 1.2258 2.4214 1.0723 1.8715 0.3257 0.3358 9.3701 0.2612 6.0664 2.3741 1.5674 0.2179 7.6121 0.4894 1.4772 9.4969 94.6572 15.6498 3.3091 0.7277 12.4523 14.1859 7.0158 23.9527 22.7508 21.3780 0.3132 8.9039 14.4935 21.9408 19.8366 48.6155 2.3249 1.0985 3.2372 1.4546 11.1545 3.5661 6.3036 6.2957 8.1706 8.3565 12.8712 40.7827 10.9691 9.4691 5.2192 2.4551 31.5855 18.5634 61.5799 18.5273 2.1851 4.8832 31.3985 0.1176 15.1666 4.3731 28.3946 11.2728 35.2945 244.6209 0.5900 42.9206 11.2611 9.4118 4.1406 2.7398 34.1487 6.0435 10.5207 155.8774 303.6038 262.0416 523.5386 5.5450 2.8534 27.7545 45.7949 16.0952 7.4346 0.3879 37.1906 8.9983 23.1880 18.3130 13.6057 17.0386 1.6518 1.2018 2.9683 3.6943 3.3482 34.1649 177.0924 78.5293 3.6927 0.4661 2.3706 0.4956 1.1678 0.1047 0.7942 1.1544 0.4498 0.2273 0.1573 0.0277 0.0671 0.6899 1.7709 0.1756 2.1181 0.2356 1.1914 3.3069 7.7577 1.1524 2.6686 2.8091 5.7047 1.9890 0.2639 0.2219 11.7335 0.2476 2.3203 1.0101 9.4235 4.6800 2.4182 6.8028 2.1468 2.3232 4.8159 6.9008 1.2890 4.9847 3.2450 3.2840 2.1507 1.9307 1.5633 3.6869 4.8995 4.9304 1.5191 2.8010 5.1683 4.6109 4.7480 2.1459 7.1580 7.4083 4.0973 2.8264 4.3805 41.1438 15.1301 2.7413 3.9316 7.2908 57.9661 4.2985 4.4953 13.7026 2.3396 2.4279 1.8219 2.7190 4.5658 1.8112 11.9874 4.8030 5.4450 2.8584 1.5525 4.2127 14.3267 7.2053 17.8882 19.3088 0.1321 13.8349 3.6539 170.3533 38.0696 47.4094 14.3143 62.0695 73.3774 7.1845 108.7233 118.7211 38.2701 26.1953 78.5842 28.4368 90.1609 151.4731 108.0476 56.9189 47.4894 44.7206 43.0631 84.5787 158.8862 34.1314 127.3668 48.8650 0.7500 0.7482 0.7440 0.6966 0.7478 0.7153 0.7492 0.4581 0.6867 0.2479 0.5712 0.6197 0.7057 0.2838 0.5406 0.6383 0.1682 0.5834 0.3132 0.4301 0.0971 0.7325 0.5607 0.3799 0.7446 0.1664 0.7437 0.5766 0.1237 0.7000 0.1944 0.4664 0.0904 0.7465 0.7349 0.1750 0.5039 0.4443 0.3901 0.7463 0.5502 0.4559 0.2165 0.5384 0.7484 0.7277 0.6997 0.6975 0.7371 0.4677 0.1991 0.7427 0.7339 0.4791 0.5937 0.7305 0.4711 0.4277 0.7411 0.3353 0.6943 0.2193 0.7271 0.5465 0.7499 0.7123 0.1955 0.5719 0.6030 0.6388 0.6897 0.1854 0.5052 0.7214 0.7489 0.7431 0.7440 0.6193 0.7196 0.7413 0.6308 0.5347 0.6428 0.6756 0.7493 0.7478 0.7361 0.7464 0.7246 0.3625 0.7284 0.2075 0.4263 0.2683 0.3112 0.6019 0.0038 0.0333 0.7463 0.2113 0.4902 0.7461 0.7450 0.0709 0.3835 0.7499 0.6349 0.1292 0.5245 0.4102 0.2570 0.2633 0.1737 0.7490 0.8571 0.8559 0.8532 0.8212 0.8557 0.8340 0.8566 0.6283 0.8143 0.3973 0.7271 0.7652 0.8274 0.4422 0.7018 0.7792 0.2880 0.7369 0.4770 0.6015 0.1770 0.8456 0.7185 0.5506 0.8536 0.2854 0.8530 0.7314 0.2202 0.8235 0.3255 0.6361 0.1659 0.8548 0.8472 0.2979 0.6701 0.6153 0.5613 0.8547 0.7098 0.6263 0.3559 0.6999 0.8561 0.8424 0.8233 0.8218 0.8487 0.6374 0.3321 0.8524 0.8466 0.6479 0.7451 0.8443 0.6405 0.5992 0.8513 0.5022 0.8196 0.3597 0.8420 0.7067 0.8571 0.8320 0.3271 0.7277 0.7523 0.7796 0.8164 0.3128 0.6713 0.8381 0.8564 0.8527 0.8532 0.7649 0.8369 0.8514 0.7736 0.6968 0.7826 0.8064 0.8567 0.8557 0.8480 0.8548 0.8403 0.5321 0.8428 0.3437 0.5977 0.4231 0.4747 0.7515 0.0075 0.0644 0.8547 0.3489 0.6579 0.8546 0.8538 0.1324 0.5544 0.8571 0.7767 0.2289 0.6881 0.5818 0.4089 0.4169 0.2960 0.8565 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 6 6 1 6 6 7 1 6 1 6 6 6 6 7 6 6 6 6 16 6 7 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 2857.6165 9208.6292 10727.5751 0.99994 0.01126 0.00050 -0.01125 0.99985 -0.01348 -0.00065 0.01347 0.99991 1 0.03031 0.00941 0.00807 0.63155 0.19598 0.16823 18.50 66.41 85.52 157.63 181.73 230.47 250.92 300.94 324.08 346.13 347.91 364.37 382.41 411.25 440.22 481.40 539.25 554.41 600.50 640.67 670.11 698.06 708.32 744.82 772.78 799.28 847.39 863.79 936.46 972.45 1003.72 1048.96 1092.07 1156.48 1160.33 1227.50 1276.76 1278.12 1292.83 1350.58 1371.70 1434.26 1450.81 1475.32 1496.87 1497.91 1528.59 1578.44 1584.63 1616.44 1633.19 1641.19 1668.63 1718.79 1738.53 1765.37 1782.34 1858.57 1864.70 1866.36 1876.72 1985.57 2005.50 2016.23 2052.69 2064.89 2091.72 2111.39 2119.09 2164.92 2180.00 2192.58 2206.44 2220.84 2246.04 2262.59 2267.80 2274.97 2275.73 2330.88 2339.39 2347.81 2350.14 2355.04 2363.24 2363.98 2373.82 2383.42 2391.23 2441.51 2513.19 2570.98 2622.99 4577.68 4587.88 4606.10 4617.61 4627.33 4697.72 4698.55 4712.02 4715.09 4725.63 4728.41 4734.19 4764.16 4819.78 4824.12 4857.64 4900.33 4964.98 5293.73 5531.54 5717.77 0.372518 0.389261 0.390205 0.327169 -1157.156336 -1157.139593 -1157.138649 -1157.201685 2.114238D-04 MUNgauss RevisionA2.1 retrievium 30-Apr-2021 DUDE C[C@@H]1CC[NH+]([C@@H](C1)C)Cc2nc(c3ccsc3n2)N C51748254 RHF 6-31G(d) (6D,10F) C1 277.148694 |X|Y|Z| 69.399533 35.828419 22.327623 38.148333 16 6 7 16 12 3 1 |36.858105| |12.467343|36.858105| |8.915263|17.503554|0.500000| |7.524564|12.448458|0.248055|36.858105| |4.902705|7.538997|0.191434|12.526399|36.858105| |4.382183|6.465045|0.159214|7.649110|12.605655|53.358707| |4.402979|6.053367|0.139259|7.348036|9.387988|25.695205|0.500000| |4.871003|7.431891|0.189160|6.434396|7.568074|16.949156|0.259463|36.858105| |4.514320|6.805192|0.203578|5.801393|7.099295|12.443667|0.183408|17.688767|0.500000| |7.530340|12.436315|0.247864|7.631287|6.551548|10.474971|0.205572|12.452419|0.245269|36.858105| |3.764364|4.869311|0.125866|4.365053|4.929651|10.304382|0.195344|12.499598|0.246147|7.524644|36.858105| |3.262452|4.322498|0.114142|4.974468|7.598179|17.294091|0.264955|7.388748|0.185583|4.932107|6.420598|36.858105| |2.896854|3.767068|0.106698|4.106120|5.948850|10.086801|0.157324|5.992794|0.181368|4.129245|5.360605|12.578921|36.858105| |2.421890|2.997679|0.084263|3.240571|4.318982|6.989841|0.121918|4.388229|0.127976|3.272614|4.341927|8.104218|14.408613|53.358707| |2.173356|2.631927|0.075664|2.782675|3.543706|5.365368|0.095126|3.603169|0.108875|2.812643|3.569709|5.298982|8.389132|19.556738|36.858105| |2.233476|2.713079|0.080516|2.809022|3.529596|5.096805|0.088618|3.582293|0.114215|2.837179|3.413338|4.575023|7.179940|10.921336|13.430754|36.858105| |1.990708|2.351402|0.070395|2.396576|2.873795|4.029799|0.071967|2.912791|0.092212|2.419917|2.798564|3.405083|4.668538|6.875955|7.275931|13.185362|36.858105| |2.065020|2.430797|0.074469|2.434842|2.861789|3.901565|0.069388|2.892360|0.093665|2.454849|2.710341|3.132975|4.135387|5.579940|5.157159|8.259427|14.247714|36.858105| |2.529121|3.078962|0.097971|3.039109|3.628021|4.817142|0.082806|3.648793|0.125430|3.055031|3.224387|3.697560|4.936378|5.903484|4.880880|7.385835|7.375896|10.923454|388.023441| |2.625597|3.301045|0.100869|3.384427|4.377762|6.173765|0.102406|4.422177|0.151146|3.409471|3.933681|5.242820|8.605642|9.721018|8.063617|13.826767|8.119399|7.710373|78.305784|36.858105| |3.099816|4.116646|0.124043|4.318090|6.144814|9.069467|0.138064|6.145919|0.217429|4.329897|5.021789|7.808780|14.646289|10.985100|6.910786|7.901045|5.241396|5.018868|49.931524|14.186953|53.358707| |1.897752|2.237475|0.063674|2.360099|2.894124|4.338781|0.080088|2.941737|0.086443|2.386101|3.000097|4.124726|5.476523|11.399039|14.281342|7.887225|6.124721|4.334985|27.125402|5.273700|6.341701|53.358707| |17.540209|8.771575|0.173439|6.796440|4.533841|5.737689|0.124507|4.509446|0.111080|6.804823|3.657679|3.171582|2.740366|3.166205|2.070930|2.090051|1.859493|1.903502|16.213150|2.409772|3.865653|2.487637|0.500000| |17.565763|8.788460|0.213513|5.478454|4.064402|5.219049|0.105706|4.519609|0.119272|6.860530|3.664249|2.958107|2.693074|3.101065|2.071314|2.144973|1.934114|2.020320|17.526563|2.510242|3.953141|2.474520|0.301527|0.500000| |17.565994|8.792283|0.213492|6.857977|4.532925|5.213315|0.105577|4.036046|0.108028|5.480829|3.179520|2.964263|2.688127|3.090237|2.062504|2.135911|1.925261|2.011925|17.479180|2.502543|3.948783|2.463099|0.301548|0.302081|0.500000| |6.946648|8.817003|0.174111|17.492503|8.857758|9.342401|0.215297|5.616906|0.132938|6.805911|4.160189|4.671927|3.693332|4.111028|2.575775|2.537718|2.176478|2.180948|18.720948|2.955768|5.020497|3.032673|0.205837|0.141071|0.172637|0.500000| |6.803824|8.790557|0.215560|17.565512|8.989240|7.595318|0.147634|4.842929|0.129938|5.523977|3.534283|4.132970|3.621478|3.997650|2.589248|2.652619|2.308100|2.372908|21.002114|3.175647|5.291876|3.018352|0.166383|0.139824|0.202900|0.303872|0.500000| |4.063623|5.485044|0.140470|8.796961|17.616813|12.371780|0.223662|5.559693|0.145181|4.912179|4.133197|7.324481|5.641821|5.902579|3.531925|3.417351|2.788611|2.727773|23.642674|4.052125|7.361546|3.992022|0.108638|0.094752|0.108177|0.215031|0.212986|0.500000| |4.493296|6.767590|0.202216|8.769193|17.696413|12.406756|0.182895|6.977492|0.215937|5.789912|4.623466|6.836563|6.491303|6.187657|3.858421|4.045171|3.270316|3.328452|31.814272|5.367444|10.643748|4.174761|0.110660|0.107638|0.118639|0.172886|0.213511|0.301307|0.500000| |6.863557|8.826051|0.215812|5.533338|4.904532|7.613222|0.148291|8.983419|0.213530|17.569380|6.985697|4.077897|3.635881|4.041272|2.623484|2.685872|2.338325|2.399211|21.125364|3.201092|5.292460|3.061457|0.167833|0.204951|0.140635|0.139433|0.123489|0.107994|0.129487|0.500000| |6.948741|8.815361|0.174039|6.815544|5.705744|9.407282|0.217635|8.843152|0.173501|17.477118|6.963460|4.639503|3.713780|4.151025|2.602188|2.560657|2.195595|2.196617|18.802421|2.974522|5.033734|3.065572|0.206111|0.172452|0.141150|0.199045|0.139254|0.128137|0.132896|0.304163|0.500000| |3.175067|4.023818|0.108271|3.785907|4.497053|9.099042|0.165290|8.723939|0.215146|5.467583|17.605499|6.943537|6.334446|7.182351|4.256460|3.956199|3.156467|2.978372|24.665232|4.446761|7.630346|4.796241|0.085265|0.085867|0.076996|0.099522|0.088081|0.108737|0.121743|0.143510|0.140412|0.500000| |3.724969|4.591454|0.121644|3.867229|4.107168|7.535899|0.145256|8.947223|0.209690|7.057175|17.592546|4.756492|4.314727|4.946910|3.148637|3.101580|2.631191|2.595674|21.877985|3.554735|5.831401|3.673147|0.099536|0.105351|0.086823|0.101983|0.089353|0.096365|0.110305|0.216341|0.178179|0.303675|0.500000| |3.629370|4.476854|0.110733|4.180220|4.564141|9.409445|0.208275|8.751640|0.173000|6.711119|17.537067|5.972852|4.625933|5.362255|3.217642|2.995818|2.488987|2.389321|19.664429|3.337045|5.651260|3.795596|0.102369|0.096944|0.085053|0.117307|0.093937|0.110782|0.113403|0.167556|0.203190|0.299790|0.302646|0.500000| |3.010696|3.831465|0.099809|4.185837|5.593331|12.349988|0.235174|6.732532|0.160878|4.613708|7.208815|17.673465|8.968690|10.191909|4.978436|4.139744|3.158271|2.871402|23.213882|4.470631|8.145859|5.558913|0.082897|0.077248|0.075213|0.114012|0.097303|0.149959|0.140060|0.109302|0.126139|0.232237|0.142931|0.200536|0.500000| |3.054403|3.909451|0.102298|4.797773|7.250962|12.440840|0.229427|5.499147|0.140146|4.185026|4.820949|17.611009|8.967313|9.742324|4.882651|4.146155|3.168656|2.901773|23.702147|4.551318|8.411068|5.413209|0.083693|0.075934|0.078804|0.129625|0.114702|0.234119|0.173907|0.096712|0.113071|0.139996|0.105614|0.132161|0.304373|0.500000| |1.795189|2.086017|0.061715|2.130803|2.513764|3.539570|0.064494|2.548407|0.078746|2.152095|2.497892|2.995124|3.915499|6.018119|6.313656|8.508664|17.755289|8.973044|37.461205|5.662844|5.639629|8.534493|0.046984|0.048562|0.048328|0.054512|0.057182|0.068631|0.077629|0.057972|0.055016|0.078077|0.065603|0.062790|0.078900|0.078788|0.500000| |1.910841|2.205068|0.067542|2.192554|2.509861|3.391140|0.061268|2.533663|0.080910|2.209223|2.389515|2.669056|3.358520|4.545956|4.054647|5.696172|8.816136|17.792306|55.196204|5.424413|5.385368|4.921829|0.048970|0.052296|0.052081|0.054902|0.059944|0.066689|0.079995|0.060581|0.055270|0.071910|0.064487|0.059147|0.068761|0.069458|0.205678|0.500000| |1.847949|2.164219|0.060712|2.299940|2.803149|4.260375|0.080349|2.846098|0.081503|2.323755|2.952743|4.108722|5.057082|10.580365|9.453782|5.761648|4.642983|3.543314|23.064129|4.351781|5.610485|26.058513|0.049936|0.049040|0.048829|0.061223|0.059771|0.079933|0.080496|0.060563|0.061869|0.096098|0.073238|0.078014|0.116967|0.112678|0.132100|0.084503|0.500000| |1.763701|2.054119|0.058875|2.147003|2.578474|3.783610|0.070261|2.617071|0.077458|2.169241|2.658756|3.436405|4.422747|8.118339|9.313953|7.174430|6.671738|4.544057|26.433156|4.760415|5.486074|26.119645|0.047067|0.047216|0.046999|0.056236|0.056645|0.072293|0.076424|0.057426|0.056806|0.085320|0.067808|0.068653|0.094081|0.092397|0.215571|0.107506|0.309786|0.500000| 1156.633652 -5927.457887 2130.592534 -131.722808 -2771.954509 1614.425633 -1157.528876 2.000774 4062000000000005 42B100E0F123D401 423D36C57BF1F5B3 4156E15300000004 C065C00000000000 429B770923E37FFE