Version2.0 2020-07-20T08:04:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 17-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c2cc(ccc2[nH]1)C#N)CCNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5)Cl C44714463 RHF 6-31G(d) (6D,7F) Cc1c(c2cc(ccc2[nH]1)C#N)CCNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5)Cl C01[X(C28H31Cl1N5O2)] 195 C1 606 N#Cc1ccc2c(c1)c(CCNC(=O)[C@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(cc1)Cl)c([nH]2)C N#Cc1ccc2c(c1)c(CCNC(=O)[C@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(cc1)Cl)c([nH]2)C Cc1[nH]c2ccc(cc2c1CCNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(Cl)cc5)C#N InChIKey=QDYSIDHBGVWQLQ-XMMPIXPASA-O InChI=1S/C28H30ClN5O2/c1-18-22(23-14-19(15-30)2-7-25(23)33-18)8-11-32-26(35)24-16-34(17-28(24)9-12-31-13-10-28)27(36)20-3-5-21(29)6-4-20/h2-7,14,24,31,33H,8-13,16-17H2,1H3,(H,32,35)/p+1/t24-/m1/s1 InChI=1/C28H30ClN5O2/c1-18-22(23-14-19(15-30)2-7-25(23)33-18)8-11-32-26(35)24-16-34(17-28(24)9-12-31-13-10-28)27(36)20-3-5-21(29)6-4-20/h2-7,14,24,31,33H,8-13,16-17H2,1H3,(H,32,35)/p+1/t24-/m1/s1/fC28H31ClN5O2/h31-32H/q+1 Cc1c(c2cc(ccc2[nH]1)C#N)CCNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5)Cl C01[X(C28H31Cl1N5O2)] 195 C01 606 N#Cc1ccc2c(c1)c(CCNC(=O)[C@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(cc1)Cl)c([nH]2)C N#C[C]1[CH][CH][C]2[C]([CH]1)[C](=C(N2)C)CCNC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][C]([CH][CH]1)Cl CC1=C(CCNC(=O)[C@H]2CN(CC23CC[NH2]CC3)C(=O)[C]4[CH][CH][C](Cl)[CH][CH]4)[C]5[CH][C]([CH][CH][C]5N1)C#N InChIKey=LALRNGGAGVQGCQ-XMMPIXPASA-N InChI=1S/C28H31ClN5O2/c1-18-22(23-14-19(15-30)2-7-25(23)33-18)8-11-32-26(35)24-16-34(17-28(24)9-12-31-13-10-28)27(36)20-3-5-21(29)6-4-20/h2-7,14,24,33H,8-13,16-17,31H2,1H3,(H,32,35)/t24-/m1/s1 InChI=1/C28H31ClN5O2/c1-18-22(23-14-19(15-30)2-7-25(23)33-18)8-11-32-26(35)24-16-34(17-28(24)9-12-31-13-10-28)27(36)20-3-5-21(29)6-4-20/h2-7,14,24,33H,8-13,16-17,31H2,1H3,(H,32,35)/t24-/m1/s1/f/h32H 3952.1758447220 -1959.6854977 1-A 25944.0439 133 473 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.89943 -20.62515 -20.62385 -15.82115 -15.69845 -15.68518 -15.68441 -15.68044 -11.44747 -11.44588 -11.42772 -11.42501 -11.40155 -11.38768 -11.37717 -11.37662 -11.37400 -11.36767 -11.36718 -11.36249 -11.35621 -11.35545 -11.35174 -11.35120 -11.35103 -11.34679 -11.33789 -11.33543 -11.33350 -11.33298 -11.32964 -11.32782 -11.32698 -11.32591 -11.31709 -11.31400 -10.63287 -8.10226 -8.09882 -8.09880 -1.49450 -1.49222 -1.46510 -1.40325 -1.36656 -1.34785 -1.33263 -1.27645 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 6.6675 15.8256 21.5947 29.1376 43.7588 49.4832 66.1279 80.6724 84.8526 95.1136 98.1797 114.0224 114.6013 122.0707 139.4516 151.3196 171.1437 182.4484 184.1450 199.7396 213.3470 222.3215 250.2430 261.6214 281.3517 295.1738 301.4852 318.5699 332.8215 343.1052 343.5611 358.8625 387.8455 403.3136 413.3243 443.0138 448.5662 461.9642 465.8292 479.0151 480.6852 493.9231 496.4431 514.7223 538.8006 552.9884 560.7411 566.5009 584.6635 586.6078 595.6363 648.1845 653.5827 658.8395 682.2480 689.8221 693.5637 739.8425 751.5707 753.5589 772.3496 791.1386 829.7728 839.5852 850.4119 851.9789 858.4665 868.0682 872.1886 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3260.2981 3261.9471 3263.0097 3270.0363 3270.7089 3279.8643 3280.6202 3326.4692 3327.0875 3329.0509 3331.4440 3337.1810 3340.1468 3369.0933 3382.3131 3387.6227 3398.0662 3400.0954 3408.4314 3413.0182 3419.6542 3479.0445 3715.1489 3855.0991 3896.8596 6.6914 6.9410 6.4410 6.6702 6.3759 5.0105 4.5005 5.7510 4.5167 5.5371 1.2491 3.8379 3.6178 5.0446 5.1694 3.7231 4.3205 4.0719 4.9882 4.7535 4.5275 4.0348 3.6982 2.8720 4.5036 3.8057 3.8779 3.0287 4.4979 5.9006 5.2302 4.3761 2.2803 2.7533 3.7590 6.9904 2.1087 2.9669 1.5740 3.0210 2.6939 2.2306 3.5051 3.0429 4.4941 3.5458 4.3070 5.6086 2.4313 4.4776 1.3235 3.4044 3.4399 5.6805 3.7726 5.6669 3.0155 4.8851 3.8968 5.1470 4.6868 4.9142 5.0136 4.4358 4.8283 5.4782 5.3519 3.5921 2.0580 2.4426 2.5846 1.6247 2.6198 1.2773 2.8747 1.5953 1.7288 2.4155 2.7048 3.1190 1.7108 1.9875 1.9004 1.9264 2.0557 1.3244 2.1120 1.4298 1.8481 2.9429 1.4170 2.3983 2.0409 2.4711 1.9455 2.3083 2.5963 2.5529 1.9263 3.2227 3.1418 2.9124 1.6564 1.3689 2.3746 3.1534 3.0529 1.4541 1.2369 2.0054 1.6126 2.4487 1.8622 2.5350 1.6790 1.2868 1.7710 1.9603 1.7485 1.3029 1.7309 2.1444 1.2932 1.3580 1.2493 1.2004 2.0312 1.3956 1.3036 1.4529 1.3743 1.3878 1.4336 2.4242 2.5079 1.4989 1.3932 1.4254 1.3151 3.2815 1.9647 1.1031 1.0639 1.1074 1.1041 1.2441 1.1157 3.2346 1.1361 1.1511 1.0918 1.0843 1.2094 1.9879 1.8077 6.5093 6.6050 5.1847 5.3367 5.6382 1.0708 12.1858 8.7757 12.6971 1.0743 1.0415 1.0745 1.0666 1.0728 1.0845 1.0704 1.0712 1.1029 1.0891 1.0627 1.0903 1.0729 1.1025 1.0970 1.1065 1.1049 1.0947 1.0998 1.0995 1.0903 1.0905 1.0906 1.0974 1.0961 1.0967 1.0924 1.0746 1.0805 1.0783 1.0814 0.0002 0.0010 0.0018 0.0033 0.0072 0.0072 0.0116 0.0221 0.0192 0.0295 0.0071 0.0294 0.0280 0.0443 0.0592 0.0502 0.0746 0.0799 0.0997 0.1117 0.1214 0.1175 0.1364 0.1158 0.2100 0.1954 0.2077 0.1811 0.2935 0.4093 0.3637 0.3320 0.2021 0.2639 0.3784 0.8083 0.2500 0.3731 0.2012 0.4084 0.3667 0.3206 0.5090 0.4750 0.7687 0.6388 0.7979 1.0605 0.4897 0.9078 0.2766 0.8427 0.8657 1.4528 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0.1246 0.3501 4.9608 4.3044 3.6171 0.7866 1.8945 6.8971 2.4610 0.5318 0.8721 0.5353 6.7636 4.0384 3.4149 12.6953 4.9938 4.4595 13.6232 8.8171 17.5928 5.3431 4.3313 3.2081 4.8632 1.1750 18.7617 0.1581 1.3487 2.4943 3.0281 3.6557 15.9411 8.4862 6.3725 0.5856 0.7998 66.2481 0.5155 11.5247 40.4166 18.3250 7.0929 17.3444 5.6473 13.1753 3.3620 47.0817 7.4118 100.9939 11.5515 12.8492 1.4939 29.9034 4.7548 2.3320 5.1148 7.2475 1.7974 8.4464 3.4129 19.1877 3.5673 21.7455 2.2912 11.7793 29.6802 2.9129 2.2054 8.9946 36.0593 3.5516 2.0309 0.5106 4.9169 40.8697 3.4615 4.1857 6.7379 21.8844 8.4345 6.4481 3.5595 1.2679 0.2304 12.0295 7.9428 26.1803 31.6789 0.9161 17.8644 17.7242 23.8803 5.8604 3.6945 14.6656 4.8850 0.9367 6.8370 8.7977 113.0930 9.1470 7.5885 91.4899 27.7330 14.4473 13.4273 38.3386 36.9054 48.8004 12.0106 45.2947 13.5876 21.7097 59.9988 234.6088 2.3221 21.5406 29.7498 179.4194 9.9999 5.2978 17.8689 17.7418 26.8780 2.6700 36.1104 3.6770 0.9654 4.4028 0.6049 27.2348 22.0048 313.9879 37.5575 4.8413 11.4786 3.3996 54.8802 5.8507 16.6759 6.8389 28.0868 12.1124 2.3292 9.1649 94.8823 23.6831 12.1300 18.7757 18.1679 10.3956 11.6056 372.5352 3.3387 3.2775 24.3080 101.3308 80.3488 75.4594 358.9363 181.5790 406.6427 37.4903 30.2850 35.8644 5.9824 23.4461 14.2008 8.4752 21.1372 15.9635 4.1638 18.3642 34.3057 24.1458 4.8496 16.5320 10.3227 11.1178 8.9634 30.0810 1.2963 2.4355 5.0022 0.4319 6.2292 2.0753 0.7390 1.5209 894.0658 114.1457 28.9415 135.2948 1.1361 2.4543 4.9482 1.4778 1.8560 1.6010 5.3415 1.6654 0.5573 1.4002 0.3414 1.8003 3.2037 0.5025 1.0347 0.8112 1.2788 0.5904 0.7467 1.3286 0.5473 1.2892 0.6054 0.9226 2.5858 2.6217 0.7663 0.8803 1.0998 2.1807 1.1150 0.8506 0.9829 0.1707 0.5738 8.0925 0.9214 0.2117 1.3402 0.4288 1.4318 1.2721 1.0453 0.8993 1.8626 2.8704 1.8959 5.2159 2.6285 5.4351 0.5907 6.2119 2.0090 5.8874 0.5456 4.3972 3.3078 8.9013 1.1598 14.4989 1.3006 1.2257 4.6516 5.6435 17.4999 1.2012 3.0589 7.7484 2.7485 2.3157 5.3165 2.3088 0.7763 3.0501 8.3690 3.0682 0.7278 1.7813 13.2285 11.8919 2.5353 2.3512 1.1516 2.5664 4.0578 0.1214 4.6978 1.4886 1.9179 1.8941 0.1043 2.1794 9.5728 2.5379 5.0430 0.8158 3.0487 10.5707 0.4564 14.9454 3.5113 14.0250 3.3226 6.0521 3.7996 107.3766 6.9337 6.4537 7.2488 2.6283 5.6294 4.4196 4.6794 9.2239 19.0124 1.8828 11.1220 28.2061 5.8976 19.3373 19.6349 49.5360 1.9852 3.2957 11.9124 5.8050 12.5377 1.6020 1.1973 3.5045 1.1069 3.1877 2.8327 2.5813 8.1137 1.8520 7.3671 5.3458 2.6158 77.3898 5.5713 14.0324 7.7870 24.1150 5.2734 57.1224 14.4078 17.8084 5.6719 2.1646 7.5708 9.7064 8.5437 4.4872 2.4679 74.1330 2.2630 44.1269 134.8084 70.6489 4.7251 40.9995 6.9178 523.0132 60.0993 278.0068 83.8369 74.2547 37.9526 59.3462 158.7113 52.7669 134.2562 67.9967 62.9288 93.1871 81.8982 80.2193 61.4202 35.0119 31.7260 21.9965 78.0916 43.4463 64.8249 35.2679 44.9402 159.1262 76.6671 126.8033 94.3433 232.4993 76.4209 28.4732 122.6625 0.7489 0.7462 0.7336 0.7384 0.7288 0.7344 0.7180 0.7079 0.7013 0.7500 0.7492 0.7059 0.7221 0.6062 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 7455.9400 42478.7700 46983.5043 0.99997 0.00699 -0.00199 -0.00701 0.99992 -0.01047 0.00192 0.01049 0.99994 1 0.01162 0.00204 0.00184 0.24205 0.04249 0.03841 9.59 22.77 31.07 41.92 62.96 71.20 95.14 116.07 122.08 136.85 141.26 164.05 164.89 175.63 200.64 217.72 246.24 262.50 264.94 287.38 306.96 319.87 360.04 376.41 404.80 424.69 433.77 458.35 478.86 493.65 494.31 516.32 558.02 580.28 594.68 637.40 645.39 664.66 670.22 689.20 691.60 710.65 714.27 740.57 775.21 795.63 806.78 815.07 841.20 844.00 856.99 932.59 940.36 947.92 981.60 992.50 997.88 1064.47 1081.34 1084.20 1111.24 1138.27 1193.86 1207.98 1223.55 1225.81 1235.14 1248.96 1254.88 1266.88 1319.65 1327.00 1358.27 1374.76 1375.18 1381.05 1390.57 1435.69 1479.17 1484.04 1499.07 1502.91 1505.94 1543.02 1555.21 1556.22 1568.70 1588.64 1593.62 1602.42 1607.30 1622.81 1632.24 1651.25 1671.75 1677.96 1682.54 1696.52 1723.38 1729.56 1737.56 1741.80 1789.47 1804.14 1810.99 1835.27 1851.63 1858.70 1873.36 1884.35 1903.16 1912.88 1930.68 1932.92 1941.84 1973.62 2006.09 2007.51 2022.72 2030.69 2070.43 2071.94 2083.99 2090.01 2096.16 2102.46 2134.10 2164.95 2171.44 2181.67 2203.98 2216.65 2221.42 2232.76 2253.98 2258.17 2262.89 2263.57 2275.89 2290.60 2326.73 2328.79 2336.45 2341.17 2352.71 2360.91 2363.29 2368.44 2370.68 2371.57 2388.55 2392.16 2398.48 2406.49 2455.91 2522.02 2534.02 2559.41 2592.09 2621.58 2671.08 2791.48 2799.73 3683.86 4592.78 4619.88 4636.72 4638.19 4647.25 4662.58 4690.84 4693.21 4694.74 4704.85 4705.82 4718.99 4720.08 4786.05 4786.94 4789.76 4793.20 4801.46 4805.73 4847.37 4866.39 4874.03 4889.06 4891.98 4903.97 4910.57 4920.12 5005.57 5345.27 5546.63 5606.71 0.602852 0.633055 0.634000 0.537948 -1959.082645 -1959.052442 -1959.051498 -1959.147550 3.221600D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE Cc1c(c2cc(ccc2[nH]1)C#N)CCNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5)Cl C44714463 RHF 6-31G(d) (6D,10F) C1 504.216628 |X|Y|Z| 58.479822 31.748996 146.683630 64.819533 30 6 7 26 4 |36.858105| |12.726799|36.858105| |7.313489|14.060483|36.858105| |5.115224|8.504092|13.149113|36.858105| |3.752680|5.277563|7.306938|13.765011|36.858105| |3.147437|4.181459|5.009631|7.981449|13.727755|36.858105| |3.172157|4.171508|4.519942|6.809824|7.803548|13.547818|36.858105| |3.854418|5.272913|5.229785|7.744898|6.743246|7.914611|13.884894|36.858105| |5.230224|8.489821|8.277502|13.544140|7.937780|6.981435|8.036269|13.648192|36.858105| |7.693637|13.772332|8.515123|8.580819|5.413235|4.687416|5.177869|7.630311|14.052758|53.358707| |7.035577|9.018399|5.977452|5.984343|4.302379|3.966233|4.563478|6.693539|9.092904|26.075815|0.500000| |2.575704|3.226893|3.804606|5.179264|7.913698|13.273512|7.698987|5.115011|4.577048|4.720819|0.084879|36.858105| |2.252638|2.731943|3.175208|4.021849|5.597999|7.405615|5.383369|3.940501|3.597431|3.917284|0.071802|16.721955|53.358707| |5.831411|7.428817|12.640484|7.208257|5.740982|4.064898|3.522496|3.774420|5.058680|7.000621|0.114826|3.381264|4.011971|36.858105| |4.336427|5.169387|7.370619|5.743945|5.320125|3.886228|3.277298|3.354572|4.192344|5.532415|0.094463|3.406955|4.146685|12.337614|36.858105| |3.376333|4.028184|5.540545|5.140150|5.578956|4.108690|3.281247|3.173624|3.750419|4.675913|0.081165|3.830086|4.780446|7.643150|13.041222|53.358707| |2.831475|3.305052|4.226465|4.207432|4.795079|3.849048|3.081914|2.899142|3.265348|4.027142|0.071557|3.823094|4.978195|5.084123|7.737936|19.148662|36.858105| |2.779021|3.209833|3.955967|3.957090|4.370123|3.652143|3.015279|2.860113|3.188417|3.966286|0.071190|3.604615|4.695765|4.498637|6.797296|11.532507|15.849105|73.516695| |2.366961|2.708594|3.334451|3.410733|3.995244|3.424930|2.755073|2.534400|2.753473|3.387302|0.061298|3.637332|5.022185|3.879049|5.003614|10.642953|12.499367|14.216748|36.858105| |2.387154|2.736319|3.394744|3.463427|4.079610|3.459681|2.765310|2.543130|2.772846|3.408173|0.061525|3.666032|5.041797|4.006107|4.845814|10.451183|8.883492|10.456868|17.576073|0.500000| |2.119618|2.340886|2.777327|2.748683|3.054912|2.690766|2.264664|2.127258|2.302081|2.915631|0.053659|2.819019|3.914926|3.254024|4.136281|7.556921|7.595010|11.187654|12.329270|0.247148|36.858105| |1.849109|2.034695|2.365120|2.396094|2.692235|2.466421|2.096461|1.944584|2.055511|2.589466|0.048167|2.666391|3.825308|2.666218|3.202418|5.543124|5.186679|8.254019|8.033105|0.187547|13.141952|53.358707| |1.843092|2.057587|2.391052|2.497479|2.880029|2.706331|2.278188|2.071589|2.153037|2.665896|0.049574|3.025554|4.466362|2.609470|3.120842|5.373799|5.216938|8.731710|7.776609|0.170732|8.269466|17.875089|36.858105| |2.101725|2.411535|2.885812|3.097047|3.748099|3.461765|2.782396|2.478958|2.588225|3.127183|0.057259|3.961888|5.861213|3.135168|3.790317|7.005647|7.187313|10.996673|12.090224|0.244261|7.728202|10.803185|12.211718|36.858105| |2.160451|2.513190|2.980943|3.314076|4.084993|3.930905|3.145634|2.746002|2.810109|3.333088|0.061062|4.617714|6.893221|3.088942|3.729326|6.414225|6.465955|11.759301|7.225029|0.157322|5.268984|7.014424|7.439003|12.366967|36.858105| |1.895431|2.180552|2.507452|2.818732|3.428279|3.542357|2.944942|2.528914|2.495518|2.961833|0.055184|4.385994|7.114522|2.528972|2.900109|4.708578|4.267310|7.766521|4.783620|0.115712|3.942442|5.733955|6.076410|7.474656|12.488332|36.858105| |1.839080|2.123741|2.440387|2.785267|3.459033|3.693465|3.038031|2.550049|2.476805|2.910546|0.054290|4.901060|8.857858|2.441537|2.695594|4.398001|3.750556|6.414719|4.330582|0.113654|3.517695|5.186485|5.106043|6.427073|7.674848|12.707258|53.358707| |1.695204|1.938775|2.189373|2.485365|3.012507|3.275699|2.797782|2.360561|2.262116|2.679552|0.050509|4.264459|7.605357|2.172941|2.366332|3.758099|3.139470|5.456496|3.547619|0.094074|3.023295|4.509382|4.296338|4.901815|5.672961|9.201577|25.710025|0.500000| |1.964160|2.303658|2.662485|3.131296|4.029390|4.492566|3.583091|2.906907|2.779604|3.196091|0.059283|6.541929|13.567396|2.609203|2.831773|4.595188|3.800206|6.437765|4.191912|0.112618|3.301506|4.653785|4.327762|5.725736|7.009483|9.183597|25.392643|0.327085|0.500000| |1.795205|2.053691|2.376307|2.645327|3.241969|3.305218|2.715437|2.334292|2.318094|2.764493|0.051479|4.171023|7.050993|2.447485|2.694791|4.525800|3.826630|6.211875|4.850940|0.134092|3.963107|6.162301|5.980276|7.379145|6.480829|7.631266|17.328322|0.256167|0.255343|36.858105| |2.009405|2.315485|2.755831|3.024789|3.752764|3.585771|2.851700|2.487895|2.550366|3.045914|0.055928|4.327817|6.767213|2.934763|3.314276|5.966282|5.187638|7.782476|7.545008|0.218360|5.381643|7.987585|7.437378|12.315973|7.624272|6.539779|10.460009|0.157786|0.193521|12.488176|36.858105| |1.721278|1.877883|2.162270|2.183080|2.435009|2.249164|1.930809|1.795783|1.890646|2.394654|0.044782|2.431839|3.501359|2.433742|2.806433|4.750133|4.069291|6.378625|5.847271|0.161807|7.828497|18.766506|7.654991|5.726362|3.987368|3.500439|4.623558|0.084150|0.085474|4.227006|5.266207|36.858105| |1.768637|1.918249|2.213431|2.201687|2.427800|2.211423|1.902303|1.785457|1.897945|2.421945|0.045232|2.351220|3.332598|2.536095|2.880463|4.871831|3.953415|6.021197|5.467388|0.165983|7.010717|11.491676|5.475184|4.809271|3.477086|3.027561|4.088475|0.074709|0.077912|3.690718|4.667403|15.896934|73.516695| |1.528271|1.659423|1.879286|1.918326|2.135673|2.025359|1.765039|1.634970|1.694648|2.146334|0.040503|2.217418|3.244463|2.063359|2.323892|3.791879|3.185193|5.200085|4.216296|0.116146|5.019797|10.541622|6.272670|4.591334|3.485053|3.311255|4.471147|0.084343|0.080939|4.115209|4.529854|12.715909|14.410047|36.858105| |1.439624|1.556437|1.744874|1.784843|1.974391|1.893427|1.669130|1.548626|1.594969|2.025497|0.038430|2.072242|3.038019|1.893265|2.141000|3.413185|2.900715|4.927918|3.657843|0.096422|4.356157|8.773007|5.926077|4.116755|3.347204|3.291162|4.289013|0.082778|0.076588|3.735201|3.865875|7.519331|9.534494|13.702778|36.858105| |1.308801|1.408507|1.561728|1.603281|1.764406|1.715253|1.531371|1.421600|1.451501|1.847427|0.035279|1.879924|2.766059|1.673444|1.859652|2.906376|2.414884|4.143219|2.926169|0.078444|3.313106|6.001073|4.320615|3.294050|2.824603|2.890803|3.856718|0.076842|0.069198|3.293053|3.228299|5.015325|7.191501|7.908466|13.768537|36.858105| |1.259712|1.354441|1.497867|1.540485|1.695073|1.655105|1.482088|1.374797|1.399379|1.781071|0.034073|1.816982|2.678735|1.600013|1.749292|2.727417|2.216786|3.751758|2.672504|0.073819|2.932876|5.101512|3.643246|2.969684|2.547041|2.621533|3.639351|0.073174|0.066132|3.167943|3.066343|4.469307|6.836730|6.887822|7.979335|13.761911|36.858105| |1.315641|1.418078|1.577121|1.620372|1.789569|1.736972|1.544765|1.431347|1.462371|1.858190|0.035432|1.907578|2.809355|1.695232|1.840688|2.901657|2.329389|3.857172|2.858289|0.081332|3.101415|5.365691|3.702659|3.120935|2.597237|2.622747|3.735441|0.074008|0.068650|3.375312|3.352616|5.066487|8.076515|7.909754|6.864637|7.899768|13.754382|36.858105| |1.447991|1.568300|1.765017|1.806677|2.007267|1.920077|1.684436|1.559621|1.607897|2.038120|0.038599|2.105894|3.089648|1.923669|2.111068|3.402803|2.753880|4.463948|3.523663|0.101772|3.905186|7.077403|4.566436|3.785983|2.981815|2.905991|4.114184|0.079082|0.075675|3.842981|4.071521|7.691886|11.951138|13.702805|7.938913|6.866616|7.981621|13.780924|36.858105| |1.133628|1.212293|1.325801|1.365396|1.490822|1.471032|1.335842|1.242991|1.256300|1.605005|0.030911|1.608897|2.366805|1.400762|1.512709|2.314564|1.854788|3.175572|2.161992|0.059776|2.320061|3.821399|2.794745|2.383203|2.130082|2.232170|3.117933|0.064151|0.057391|2.614614|2.471140|3.176245|5.088300|4.232314|4.781529|7.056729|10.977479|7.053037|4.781795|448.794386| |17.545543|8.912175|5.801270|4.458881|3.386917|2.923021|2.997657|3.649684|4.740802|9.294342|0.189598|2.414256|2.888929|4.784276|3.611602|4.028925|2.509544|4.336660|2.155604|0.061039|1.940737|2.333576|1.706387|1.934088|1.974447|1.756686|2.348227|0.044445|0.051216|1.692206|1.878423|1.614372|2.960348|1.443936|1.358311|1.242229|1.202923|1.259205|1.379829|8.733368|0.500000| |17.545932|8.914417|5.772680|4.453458|3.384331|2.928137|3.008382|3.666541|4.756943|9.366315|0.192508|2.422966|2.903694|4.736245|3.887939|4.163786|2.651091|4.745207|2.217610|0.061247|2.007600|2.398006|1.766065|1.994254|2.076958|1.835370|2.401145|0.045408|0.052129|1.706099|1.889713|1.632315|2.958491|1.458611|1.386083|1.264019|1.212425|1.258050|1.377616|8.793624|0.301426|0.500000| |17.638743|8.886194|6.806164|4.590218|3.525586|2.914741|2.847487|3.311709|4.342024|7.662417|0.141056|2.444076|2.947956|6.524600|4.777888|4.893236|2.963341|5.128478|2.463540|0.069161|2.233391|2.620158|1.891642|2.143118|2.167868|1.883477|2.476637|0.046448|0.053526|1.796072|2.032353|1.793660|3.301500|1.579649|1.483081|1.342399|1.290099|1.349936|1.492618|9.284073|0.302124|0.302190|0.500000| |3.438927|4.572536|6.479642|8.900184|17.772090|8.903509|5.587217|4.888685|5.632534|5.946455|0.099507|7.310220|7.774935|6.069520|6.100973|10.047086|6.150812|9.191964|5.075504|0.146982|3.639750|4.275708|3.350039|4.578260|4.792752|3.806304|5.225191|0.090272|0.122983|3.711746|4.572681|2.813314|4.998669|2.413421|2.199270|1.937804|1.856173|1.974400|2.250059|12.924692|0.086148|0.085980|0.093321|0.500000| |2.723929|3.410609|3.603121|4.921260|5.595843|8.854681|17.739133|8.963221|5.679813|5.639805|0.106723|7.062375|7.291700|2.942670|2.791480|3.851280|2.724452|4.778409|2.501632|0.069559|2.088299|2.679416|2.155811|2.590049|2.944287|2.868013|4.089581|0.078605|0.098748|2.644237|2.686700|1.823971|3.176498|1.691348|1.610079|1.490595|1.447202|1.502306|1.622806|10.554390|0.072509|0.072809|0.068533|0.123544|0.500000| |3.599960|4.596233|4.274433|5.549140|4.885486|5.622803|8.934190|17.732526|8.822548|9.150386|0.188819|4.139078|4.575331|3.215678|2.879335|3.686979|2.506268|4.439531|2.221492|0.061787|1.904096|2.390601|1.865100|2.186332|2.411514|2.263057|3.103924|0.059537|0.071315|2.090070|2.194277|1.631913|2.883852|1.499619|1.428973|1.321478|1.280628|1.328326|1.436246|9.369059|0.097182|0.097768|0.085125|0.106450|0.214914|0.500000| |4.811666|5.897102|8.922038|6.412867|5.625796|4.019462|3.414699|3.555366|4.567471|6.090249|0.102269|3.424529|4.100680|17.502685|8.812904|10.273781|4.923450|7.329419|4.012070|0.121441|3.325843|3.734441|2.653159|3.208306|3.052972|2.517353|3.386663|0.061362|0.073984|2.552415|3.105632|2.555634|4.820582|2.154125|1.946089|1.718900|1.657934|1.777194|2.030203|11.609094|0.118539|0.109089|0.146693|0.174041|0.079980|0.084314|0.500000| |6.727425|7.133772|9.002892|5.461736|4.388797|3.351827|3.030878|3.309995|4.334428|6.474877|0.110714|2.846808|3.438864|17.606345|8.901117|7.862709|4.206906|6.857625|3.335849|0.095155|2.944022|3.311902|2.349111|2.729093|2.676666|2.235433|2.931237|0.053901|0.063227|2.166103|2.553862|2.245630|4.187785|1.918171|1.769691|1.573126|1.506034|1.591384|1.794893|10.648383|0.149988|0.147198|0.243174|0.125419|0.071909|0.081025|0.306661|0.500000| |4.049048|4.414686|5.601445|4.400872|4.083744|3.182361|2.769554|2.851690|3.470487|4.752096|0.083850|2.866399|3.572109|8.806260|17.553414|12.441924|6.590647|10.802402|4.586772|0.122470|4.141186|4.302481|2.983687|3.452017|3.322588|2.630962|3.310412|0.059970|0.069731|2.458864|2.992883|2.784785|5.134278|2.296033|2.123300|1.841393|1.726192|1.811386|2.077102|11.986025|0.094507|0.102703|0.129682|0.126775|0.067039|0.069821|0.193885|0.234068|0.500000| |4.345853|5.292691|7.189084|6.005604|5.498317|4.097113|3.496584|3.598755|4.490274|5.864314|0.100037|3.544032|4.274455|8.736964|17.670178|12.577725|7.336398|13.625347|4.650295|0.119186|3.861480|4.169426|3.086584|3.744135|3.924327|3.040970|3.752411|0.067373|0.080718|2.671219|3.205396|2.640568|4.701999|2.225430|2.087384|1.822048|1.702558|1.771019|2.010641|11.887542|0.098655|0.113044|0.127624|0.165645|0.082378|0.085552|0.176143|0.192107|0.303764|0.500000| |3.199254|3.742873|5.035066|4.650810|5.058581|3.817019|3.070342|2.963134|3.464731|4.355127|0.076289|3.618235|4.579363|7.084328|9.069292|26.027495|9.461562|10.925765|7.550948|0.246199|5.522226|5.594386|3.834859|4.905197|4.210991|3.214365|4.237050|0.074275|0.090068|3.326605|4.468671|3.679957|6.983537|2.895267|2.543678|2.165289|2.056981|2.224079|2.637967|13.949916|0.079779|0.079376|0.095372|0.185496|0.074262|0.070833|0.228919|0.154412|0.208179|0.180262|0.500000| |2.126801|2.315544|2.735598|2.642113|2.871440|2.506008|2.132504|2.029718|2.216926|2.847886|0.052514|2.578758|3.539415|3.289993|4.095760|7.282628|6.352403|9.213421|8.647060|0.223255|17.700306|12.392004|5.856073|5.638494|4.137664|3.260822|4.111857|0.073449|0.080111|3.425709|4.531738|7.503476|14.416199|4.748022|3.997555|3.107689|2.816563|3.035832|3.848770|18.001731|0.054340|0.055580|0.063023|0.094263|0.054516|0.050680|0.095096|0.084226|0.118136|0.102269|0.157925|0.500000| |2.128470|2.331882|2.735700|2.684002|2.927975|2.588836|2.209763|2.094936|2.271088|2.901263|0.053595|2.676710|3.684709|3.182248|4.161058|7.113472|7.397864|12.748253|8.789669|0.175858|17.588429|12.546935|7.189221|6.467686|5.128522|3.835480|4.460708|0.079292|0.085562|3.505156|4.448452|5.873457|9.292944|4.269625|4.002480|3.110190|2.705753|2.775568|3.356025|17.544594|0.053711|0.056660|0.062397|0.094722|0.056651|0.052338|0.087452|0.080985|0.118705|0.111824|0.135396|0.300136|0.500000| |1.693645|1.883403|2.161471|2.276783|2.625386|2.528732|2.152903|1.945994|1.994213|2.467299|0.046204|2.876437|4.345719|2.321736|2.690071|4.505029|4.107467|6.918564|5.672109|0.138742|5.851621|12.367029|17.672409|8.565047|6.140709|5.992095|7.367558|0.131108|0.121728|6.777527|7.165881|7.229800|9.075637|7.245331|7.145247|5.205213|4.326939|4.325975|5.251785|25.866656|0.043934|0.045146|0.048023|0.083366|0.057368|0.049024|0.066007|0.058464|0.071419|0.073946|0.090842|0.129268|0.143963|0.500000| |1.820286|2.021058|2.325009|2.418324|2.746840|2.594864|2.216874|2.030303|2.107250|2.624550|0.049013|2.862041|4.177127|2.516684|3.047959|5.056098|4.978093|9.120781|6.405810|0.137691|7.131310|12.513632|17.555026|8.739094|7.341772|6.081317|6.318036|0.111715|0.110327|4.875629|5.536963|5.796536|7.871492|5.076317|5.327499|4.040066|3.320930|3.245127|3.807881|21.112630|0.046592|0.048931|0.051840|0.086983|0.058428|0.051044|0.069634|0.063440|0.081750|0.085878|0.097132|0.143324|0.206487|0.302814|0.500000| |2.162749|2.485407|2.912852|3.157592|3.719699|3.528252|2.923409|2.620836|2.709236|3.273213|0.060266|3.916838|5.601930|3.036309|3.775671|6.222808|6.498720|13.816067|6.512260|0.136966|5.299816|6.813510|6.909142|8.759071|17.642179|8.951244|7.613444|0.126933|0.143651|4.853139|5.516005|3.762434|5.827085|3.288358|3.257804|2.745440|2.431842|2.436795|2.771687|16.441903|0.054471|0.058412|0.060554|0.117707|0.075918|0.064556|0.081367|0.074113|0.095412|0.113762|0.110223|0.114464|0.156942|0.153237|0.223082|0.500000| |2.400958|2.869802|3.476742|4.028401|5.260064|5.036380|3.817063|3.253021|3.331265|3.837248|0.069300|5.994040|8.570171|3.509302|4.203430|7.237652|6.921580|12.299470|6.694420|0.155422|4.627847|5.813803|5.446397|8.778503|17.582909|8.939090|9.466001|0.145019|0.207223|5.715415|6.828374|3.475227|5.629025|3.026670|2.862491|2.464889|2.271289|2.343286|2.672947|15.503149|0.060594|0.063769|0.066250|0.174841|0.097024|0.077531|0.095647|0.082352|0.099689|0.125148|0.128276|0.105987|0.124516|0.130053|0.146488|0.306147|0.500000| |1.739004|1.967427|2.235311|2.454826|2.894726|2.951609|2.523459|2.214231|2.196590|2.656190|0.049900|3.521260|5.564234|2.282675|2.618037|4.201479|3.799842|6.965794|4.382017|0.105878|3.903945|6.028390|6.682731|6.697611|8.722521|17.607588|12.420976|0.224697|0.180394|6.949628|5.761752|3.673511|5.483581|3.613109|3.745976|3.296376|2.913481|2.839757|3.107730|19.774070|0.044932|0.046948|0.048287|0.088664|0.068644|0.055783|0.063213|0.056909|0.067470|0.075632|0.080690|0.089486|0.106610|0.198581|0.195483|0.211357|0.173365|0.500000| |1.895516|2.185145|2.478624|2.821319|3.400249|3.632205|3.093483|2.636373|2.553258|3.015281|0.056502|4.483348|7.178076|2.441179|2.768974|4.330376|3.814178|7.198502|3.978729|0.097640|3.349018|4.717438|4.627428|5.459280|8.799926|17.628494|12.407554|0.223448|0.224770|5.601019|4.906345|2.937308|4.620467|2.799421|2.817391|2.534276|2.314607|2.297835|2.499195|16.226583|0.048762|0.051432|0.051842|0.100989|0.084999|0.065930|0.066580|0.060185|0.069613|0.082374|0.081155|0.078845|0.092893|0.125911|0.134266|0.213389|0.217077|0.301501|0.500000| |1.656095|1.867453|2.134269|2.331034|2.772260|2.804725|2.370606|2.075952|2.067593|2.504742|0.047000|3.403583|5.536110|2.214690|2.452030|4.048821|3.452306|5.728065|4.398364|0.118898|3.892924|6.478606|6.460732|6.544181|5.642107|6.901509|12.435985|0.226456|0.180649|17.625323|8.731187|4.529551|6.739658|4.744634|4.434547|3.936942|3.744455|3.906652|4.374600|24.270746|0.043425|0.043967|0.046226|0.086827|0.064476|0.052251|0.063767|0.055237|0.063343|0.067616|0.082649|0.093365|0.096547|0.236007|0.145798|0.126059|0.131483|0.206473|0.142628|0.500000| |1.742473|1.991422|2.287277|2.560164|3.130018|3.252600|2.699423|2.307895|2.268255|2.700848|0.050487|4.145500|7.117056|2.332801|2.497070|4.120582|3.330026|5.374181|4.065278|0.117783|3.381064|5.130830|4.560749|5.422967|4.898680|5.598470|12.407480|0.222343|0.226032|17.627148|8.796919|3.704162|5.991390|3.675057|3.299084|3.007773|3.004255|3.266834|3.636348|20.391207|0.046038|0.045833|0.048231|0.097910|0.073829|0.057655|0.068347|0.057569|0.063288|0.068223|0.085637|0.084272|0.083280|0.141309|0.106634|0.107557|0.129354|0.142700|0.126944|0.301835|0.500000| |2.194004|2.578108|3.127326|3.524006|4.580411|4.329831|3.296576|2.826965|2.905016|3.401508|0.061776|5.344588|8.248789|3.293039|3.628645|6.636929|5.399800|7.843184|7.045235|0.222711|4.743510|6.400851|5.460520|8.809762|6.824119|5.694850|9.364121|0.143788|0.202944|8.929269|17.540276|4.308002|7.252556|3.693975|3.191396|2.737431|2.641703|2.895149|3.439615|17.583640|0.057002|0.056740|0.061269|0.161712|0.084946|0.068126|0.098459|0.077900|0.088369|0.096555|0.139918|0.115811|0.111297|0.142207|0.123409|0.139666|0.199964|0.132378|0.127912|0.173453|0.218681|0.500000| |1.915268|2.174114|2.566994|2.746074|3.295578|3.107929|2.535048|2.256061|2.331461|2.833121|0.052289|3.606277|5.469208|2.786883|3.105085|5.539404|4.625012|6.852802|6.910126|0.223295|5.506611|8.638298|6.947880|8.736926|5.516169|4.902198|7.629288|0.127296|0.142657|8.984674|17.564257|6.439121|10.353615|5.414379|4.260880|3.508942|3.411427|3.903924|5.010289|21.474118|0.050070|0.049852|0.054255|0.110080|0.066467|0.055796|0.083324|0.068372|0.079654|0.081553|0.120557|0.135311|0.120881|0.194625|0.139873|0.122925|0.139270|0.129151|0.107960|0.214461|0.212302|0.304292|0.500000| |1.477359|1.595760|1.788996|1.823768|2.009637|1.919286|1.693329|1.576143|1.628360|2.072002|0.039292|2.087518|3.040736|1.944423|2.233653|3.544662|3.078667|5.352610|3.829548|0.097080|4.741288|9.606448|6.583157|4.298159|3.565748|3.447403|4.287955|0.082195|0.076548|3.587097|3.765964|6.911185|8.792044|8.894461|17.734035|8.958883|5.671996|4.949418|5.643158|31.689511|0.038510|0.039683|0.042334|0.062119|0.045252|0.040382|0.054914|0.050531|0.061866|0.061038|0.072180|0.117065|0.126864|0.205272|0.179626|0.099676|0.083319|0.110593|0.082292|0.116014|0.086327|0.086863|0.110670|0.500000| |1.252262|1.343059|1.479386|1.518616|1.661968|1.623957|1.461791|1.360595|1.384833|1.767397|0.033876|1.773670|2.603266|1.575372|1.750409|2.698828|2.242433|3.915787|2.646819|0.070111|2.978748|5.192953|3.846183|2.976783|2.648470|2.747347|3.602505|0.072719|0.064790|2.963783|2.865538|4.078854|6.005968|5.629055|8.899953|17.752105|8.923425|5.635335|4.951744|53.933077|0.033009|0.033764|0.035613|0.050271|0.039668|0.035284|0.044612|0.041293|0.048254|0.048040|0.055313|0.077314|0.079930|0.125484|0.104848|0.072728|0.064326|0.087920|0.068076|0.097412|0.075262|0.068484|0.084090|0.215408|0.500000| |1.263067|1.358077|1.503032|1.545003|1.700268|1.657697|1.483217|1.376311|1.402072|1.784585|0.034124|1.816334|2.669819|1.608082|1.722924|2.692641|2.125160|3.513298|2.560097|0.073862|2.717430|4.500060|3.135189|2.760017|2.338724|2.372581|3.435455|0.068676|0.064057|3.075034|3.025279|4.127119|6.957119|5.629414|4.950500|5.635664|8.921587|17.752751|8.903056|53.902825|0.033752|0.033509|0.035940|0.051778|0.040197|0.035597|0.047020|0.042060|0.047036|0.045957|0.057613|0.074805|0.067877|0.099402|0.077152|0.060785|0.059602|0.070312|0.058468|0.096495|0.085238|0.074420|0.097353|0.107514|0.124187|0.500000| |1.495222|1.620664|1.830678|1.868366|2.075637|1.972072|1.723990|1.598661|1.655013|2.098562|0.039657|2.152751|3.138759|2.007297|2.178080|3.531251|2.794287|4.440421|3.579282|0.107835|3.864258|6.584294|4.174358|3.704459|2.893332|2.772167|3.997127|0.076152|0.075058|3.768760|4.135311|7.192386|13.175716|8.932452|5.653125|4.951452|5.665408|8.931798|17.745429|31.639729|0.039705|0.039271|0.042899|0.064945|0.045956|0.040802|0.059617|0.051982|0.059411|0.056928|0.077564|0.109224|0.090431|0.127184|0.096117|0.073960|0.073588|0.080149|0.066566|0.113766|0.101825|0.099708|0.147144|0.124212|0.107555|0.214399|0.500000| 1957.784503 -12473.309218 4837.422569 -233.759549 -5911.861696 3952.176129 -1959.685566 2.000971 40D92C000000001A 45472359E55F96B1 44C62F5165FDB020 42D50C45760D6FFD BD3E300000000001 44C0A0B59681DA56