Version2.4 2021-04-30T12:41:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 28-Oct-2018 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](C)CC1CC[NH+](CC1)[C@H]2CCCCC[C@@H]2C[NH3+] C42391481 RHF 6-31G(d) (6D,7F) C[NH+](C)CC1CC[NH+](CC1)[C@H]2CCCCC[C@@H]2C[NH3+] C01[X(C16H36N3)] 159 C1 357 [NH3+]C[C@H]1CCCCC[C@@H]1[NH+]1CCC(CC1)C[NH+](C)C [NH3+]C[C@H]1CCCCC[C@@H]1[NH+]1CCC(CC1)C[NH+](C)C C[NH+](C)CC1CC[NH+](CC1)[C@H]2CCCCC[C@@H]2C[NH3+] InChIKey=AURZLPHVLJGQJU-CVEARBPZSA-Q InChI=1S/C16H33N3/c1-18(2)13-14-8-10-19(11-9-14)16-7-5-3-4-6-15(16)12-17/h14-16H,3-13,17H2,1-2H3/p+3/t15-,16+/m1/s1 InChI=1/C16H33N3/c1-18(2)13-14-8-10-19(11-9-14)16-7-5-3-4-6-15(16)12-17/h14-16H,3-13,17H2,1-2H3/p+3/t15-,16+/m1/s1/fC16H36N3/h17-19H/q+3 C[NH+](C)CC1CC[NH+](CC1)[C@H]2CCCCC[C@@H]2C[NH3+] C01[X(C16H36N3)] 159 C01 357 [NH3+]C[C@H]1CCCCC[C@@H]1[NH+]1CCC(CC1)C[NH+](C)C [NH3]C[C@H]1CCCCC[C@@H]1[N@@H]1CC[C@H](CC1)C[NH](C)C C[NH](C)C[C@@H]1CC[NH](CC1)[C@H]2CCCCC[C@@H]2C[NH3] InChIKey=ACHJPGPPUVBPHT-CVEARBPZSA-N InChI=1S/C16H36N3/c1-18(2)13-14-8-10-19(11-9-14)16-7-5-3-4-6-15(16)12-17/h14-16,18-19H,3-13H2,1-2,17H3/t15-,16+/m1/s1 InChI=1/C16H36N3/c1-18(2)13-14-8-10-19(11-9-14)16-7-5-3-4-6-15(16)12-17/h14-16,18-19H,3-13H2,1-2,17H3/t15-,16+/m1/s1 1625.6766140193 -789.2958773 1-A 8559.1888 75 282 357 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -16.06828 -16.05211 -16.03111 -11.67410 -11.65143 -11.64415 -11.64275 -11.63322 -11.61393 -11.60495 -11.60207 -11.59649 -11.59552 -11.59287 -11.55859 -11.55531 -11.51115 -11.51010 -11.49416 -1.69200 -1.68556 -1.66400 -1.48399 -1.45609 -1.41036 -1.38994 -1.36383 -1.34120 -1.32309 -1.31137 -1.26978 -1.24704 -1.23283 -1.21483 -1.20587 -1.16836 -1.15427 -1.13402 -1.11692 -1.08573 -1.08255 -1.06338 -1.04613 -1.03483 -1.02171 -1.01687 -0.99939 -0.99365 -0.98568 -0.96539 -0.94982 -0.94562 -0.93342 -0.92975 -0.91695 -0.91408 -0.90847 -0.89905 -0.89112 -0.88771 -0.88672 -0.88176 -0.88086 -0.87577 -0.86129 -0.85070 -0.83716 -0.83048 -0.82362 -0.81219 -0.80859 -0.78708 -0.75538 -0.74986 -0.74515 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -0.18398 -0.17890 -0.15084 -0.12848 -0.11803 -0.11601 -0.10370 -0.10121 -0.09221 -0.09102 -0.08219 -0.07512 -0.07206 -0.06795 -0.06342 -0.05318 -0.05206 -0.04502 -0.04024 -0.02887 -0.02789 -0.02484 -0.01989 -0.01627 -0.01180 -0.00582 -0.00438 0.00403 0.00921 0.01089 0.01684 0.02304 0.02638 0.02789 0.03370 0.03508 0.04008 0.04683 0.05017 0.05866 0.06361 0.07471 0.07813 0.08689 0.09415 0.10010 0.10329 0.10693 0.11139 0.11337 0.13169 0.13992 0.14765 0.16737 0.19860 0.21722 0.32983 0.33367 0.33832 0.34223 0.35247 0.36231 0.36452 0.37159 0.37577 0.39754 0.41628 0.42769 0.43438 0.45212 0.45608 0.45884 0.46926 0.47785 0.48695 0.49633 0.51288 0.53131 0.53913 0.54583 0.56110 0.56690 0.57640 0.58116 0.59780 0.60478 0.62307 0.63532 0.64250 0.64657 0.65794 0.66530 0.66897 0.68626 0.70181 0.70931 0.71390 0.72566 0.73107 0.73124 0.74553 0.74890 0.75381 0.76105 0.76599 0.77748 0.78027 0.78488 0.78787 0.79703 0.80178 0.80892 0.81298 0.81697 0.82251 0.82654 0.83746 0.84393 0.84961 0.85609 0.85822 0.86029 0.86692 0.87505 0.87609 0.88228 0.88643 0.88850 0.89577 0.89990 0.90190 0.91236 0.91768 0.92915 0.93330 0.94488 0.95136 0.95609 0.96611 0.97921 0.99266 1.00019 1.00746 1.02600 1.03509 1.04124 1.08009 1.09943 1.11439 1.13594 1.15954 1.17328 1.19742 1.23572 1.24762 1.27333 1.28107 1.30486 1.31066 1.34072 1.35013 1.36922 1.40140 1.42388 1.44738 1.46720 1.49545 1.51528 1.55534 1.58391 1.59325 1.61454 1.62141 1.64643 1.65899 1.66559 1.66986 1.69309 1.70377 1.72574 1.74584 1.76602 1.78328 1.79056 1.79413 1.80938 1.82069 1.83011 1.84089 1.84960 1.85204 1.86308 1.87828 1.88757 1.89226 1.90139 1.92198 1.93338 1.93638 1.94793 1.95262 1.95943 1.97889 1.98743 1.99337 2.01673 2.02091 2.03028 2.03981 2.05149 2.06115 2.07304 2.09658 2.10005 2.10609 2.13243 2.14118 2.17479 2.18366 2.20588 2.21859 2.23672 2.24982 2.25539 2.27153 2.28119 2.30058 2.31037 2.31972 2.34324 2.35364 2.36257 2.36915 2.38971 2.40553 2.41247 2.44075 2.44395 2.45405 2.45980 2.47530 2.51415 2.52709 2.54266 2.54798 2.55895 2.56784 2.60597 2.62781 2.65673 2.67627 2.68541 2.70058 2.72375 2.74557 2.75867 2.77903 2.79341 2.81472 2.83288 2.84433 2.85381 2.96115 3.80012 4.05552 4.07921 4.25699 4.29264 4.30007 4.33806 4.33951 4.37135 4.39325 4.44533 4.47170 4.51095 4.60998 4.61233 4.65745 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1.2340 1.1740 1.2616 1.2180 1.3069 1.2936 1.2619 1.3127 1.3848 1.3478 1.3649 1.3997 1.2819 1.2757 1.3739 1.1789 1.2493 1.2286 1.3112 1.0834 1.1375 1.0983 1.0827 1.0625 1.0989 1.0920 1.0904 1.0654 1.0845 1.0962 1.0895 1.0584 1.0887 1.0944 1.0870 1.1778 1.0409 1.0413 1.0655 1.0697 1.0743 1.0689 1.0752 1.0800 1.0718 1.0710 1.0832 1.0905 1.0979 1.0600 1.0411 1.0472 1.0378 1.0966 1.0991 1.0961 1.1005 1.0935 1.0742 1.0664 1.0807 1.1113 1.1104 1.1089 1.1084 1.1118 1.1117 1.1111 1.1100 1.0341 1.0951 1.0784 1.0951 1.0772 0.0011 0.0030 0.0057 0.0079 0.0086 0.0196 0.0279 0.0273 0.0462 0.0490 0.0611 0.0365 0.0537 0.0507 0.0526 0.0922 0.0956 0.1084 0.1789 0.1931 0.1780 0.2201 0.1926 0.2770 0.2978 0.3022 0.3166 0.3294 0.4476 0.4330 0.2991 0.4601 0.6037 0.8156 0.7449 1.1460 1.0371 0.9386 0.7904 0.7716 0.9038 0.9180 0.9942 1.0317 1.4922 1.2909 1.2758 1.8371 0.9356 1.2921 1.4779 1.3342 1.5941 1.4652 1.2624 1.4964 1.4894 1.9952 0.8978 1.6618 1.2773 1.6636 1.3610 1.6891 1.5885 1.4757 1.4920 1.7196 1.1472 1.9766 1.5167 1.7232 1.4603 1.6699 1.3071 1.3968 1.5092 1.4112 1.5552 1.4716 1.4486 1.5943 1.5688 1.5397 1.6006 1.6271 1.5636 1.7001 1.6491 1.7822 1.7816 1.7465 1.8341 1.9426 1.9148 1.9496 2.0068 1.8578 1.8602 2.0074 1.7468 1.8678 1.8491 1.9896 1.6611 1.7601 1.7122 1.6974 1.6678 1.7323 1.7255 1.7262 1.6879 1.7261 1.7526 1.7517 1.7079 1.7600 1.7705 1.7722 2.0292 2.0372 2.0508 6.3378 6.4696 6.5000 6.4820 6.5472 6.5948 6.5708 6.5922 6.6765 6.7543 6.8716 6.6406 6.5353 6.5947 6.5510 6.9356 6.9561 6.9398 6.9792 6.9488 6.8583 6.8318 6.9550 7.2232 7.2398 7.3843 7.3969 7.4463 7.4594 7.4697 7.4779 7.9228 8.8111 8.7065 8.8649 8.7503 2.0136 3.2031 3.0173 3.0412 1.4983 1.3396 0.7623 2.8910 1.7722 1.8034 5.5016 0.1626 1.9730 0.4253 0.4281 5.9062 3.1845 2.6309 1.0522 0.9789 3.7840 2.2534 1.2663 0.0343 3.0003 1.6918 3.7953 1.6175 0.6087 2.4608 1.3150 3.3585 0.9586 2.0080 1.5136 1.0497 3.1090 1.4981 4.1246 25.9257 1.0173 13.8305 20.0093 4.8096 4.1430 26.7080 41.8062 61.3809 2.5788 11.9632 10.2713 3.1943 35.7695 17.1322 4.4223 0.9693 11.8767 11.0667 4.0616 10.8324 10.4742 2.0371 13.8169 2.4677 0.8011 0.3821 3.9268 22.0443 13.0429 7.9934 1.6651 4.1474 6.7567 5.5271 0.8648 7.7696 10.7888 4.3350 5.4163 1.0219 22.0590 3.2662 22.0645 1.6162 6.1608 0.1625 1.4301 5.8882 4.4744 1.0619 5.5874 16.2629 15.0717 2.5226 15.9430 1.0064 2.2929 6.6747 7.0539 4.2071 5.1377 77.6993 7.6011 19.1580 3.4666 7.6983 5.3741 10.7763 12.5994 3.8140 8.8122 7.9925 53.5941 7.5959 32.5908 14.2662 52.8178 4.7888 11.3156 1.7602 212.4072 56.9796 68.5094 34.0649 4.4126 8.9887 11.6648 3.3314 6.1738 20.6351 14.0525 7.4956 27.1223 10.9277 13.0577 1.6465 8.2676 1.0111 17.1399 7.9900 1.4762 28.1249 6.9409 1.5341 8.1630 10.9847 7.8401 2.5569 0.8571 4.3430 0.1109 0.5514 0.4684 3.1573 113.5136 149.1910 46.9341 139.9643 22.9153 0.0542 0.0637 0.1241 0.0316 0.2546 0.0978 0.3461 0.4174 1.2323 1.0815 0.0565 0.2605 0.3662 0.1544 0.2143 1.2884 1.1387 0.3499 0.8507 0.5683 0.6492 0.9501 0.9641 0.4225 2.0967 0.3278 0.6516 1.8279 2.0827 1.8475 1.6526 2.2340 2.9491 1.7011 4.8590 16.7312 7.9843 0.3849 4.5146 1.2804 5.4921 0.6636 2.3621 1.8211 2.3336 3.8276 3.5468 6.1560 0.9023 0.6814 3.5196 3.3849 8.4379 2.9392 2.0589 3.6781 24.6581 1.5215 0.5528 8.5737 1.6793 3.4710 0.7942 9.6760 2.2983 0.5201 1.9453 3.4024 1.1288 6.1841 2.8303 1.1489 2.9928 2.5103 3.3662 0.6385 3.4623 12.4658 1.5160 15.2686 16.4406 2.5780 3.0834 6.9741 0.6234 1.6460 6.4152 6.3638 4.7549 3.4251 3.2712 1.5136 4.5532 1.1119 3.1889 2.8803 2.1104 1.9661 1.7531 9.7014 7.1885 5.1667 5.0163 2.9261 4.4531 2.7372 1.9392 15.1057 26.8839 10.2905 5.3274 2.9548 16.5346 6.1437 7.9102 7.8877 2.7852 6.7230 5.8581 1.8772 0.6558 5.7204 5.9838 55.1482 15.6658 101.5439 109.1529 24.0248 34.8234 45.0657 59.5751 25.7965 47.5603 51.0134 56.6944 11.3661 14.0290 196.9380 66.9441 68.1656 65.2233 47.2391 193.0863 11.3362 94.5026 79.2048 36.9453 30.6603 22.2326 34.1556 12.6359 41.5215 86.2335 47.8837 66.5590 41.2213 27.0530 20.7997 25.0735 0.7500 0.7445 0.7222 0.5332 0.7390 0.7240 0.3084 0.4332 0.2319 0.1824 0.6128 0.2145 0.0697 0.4149 0.6930 0.1761 0.0646 0.5908 0.7492 0.5973 0.2242 0.3753 0.2056 0.3022 0.1113 0.6887 0.0363 0.0301 0.7479 0.6842 0.2061 0.2713 0.2420 0.1374 0.2320 0.0948 0.1332 0.2825 0.3332 0.0758 0.0206 0.6700 0.3110 0.2317 0.3271 0.4355 0.6767 0.6999 0.4335 0.6085 0.3447 0.6696 0.7404 0.5080 0.7383 0.7392 0.6559 0.6529 0.7449 0.7122 0.1203 0.5223 0.7432 0.6797 0.4064 0.6124 0.4772 0.7375 0.7465 0.3581 0.5959 0.5098 0.1932 0.7058 0.5271 0.7490 0.7090 0.7478 0.7461 0.7174 0.6553 0.6682 0.5511 0.7124 0.7491 0.7458 0.7084 0.6675 0.7242 0.7333 0.7398 0.5638 0.7231 0.7369 0.7211 0.7409 0.7500 0.6583 0.7227 0.6110 0.6737 0.5709 0.7479 0.4362 0.7031 0.7437 0.7267 0.7445 0.7346 0.7373 0.7445 0.6830 0.7347 0.7495 0.7307 0.7473 0.7492 0.7498 0.6957 0.6883 0.5211 0.7230 0.7500 0.1600 0.4598 0.1658 0.0898 0.7452 0.3102 0.1396 0.1596 0.7479 0.3692 0.4915 0.1109 0.2977 0.3991 0.0044 0.6933 0.4339 0.5017 0.3527 0.2845 0.1495 0.0594 0.0570 0.6343 0.6644 0.7482 0.6782 0.6947 0.7498 0.6902 0.7500 0.0280 0.7045 0.2150 0.7447 0.2089 0.8571 0.8536 0.8387 0.6955 0.8499 0.8399 0.4714 0.6046 0.3765 0.3085 0.7599 0.3532 0.1304 0.5864 0.8187 0.2995 0.1213 0.7428 0.8566 0.7479 0.3663 0.5457 0.3410 0.4641 0.2003 0.8157 0.0701 0.0585 0.8558 0.8125 0.3417 0.4268 0.3896 0.2416 0.3766 0.1731 0.2351 0.4406 0.4998 0.1409 0.0403 0.8024 0.4745 0.3763 0.4929 0.6068 0.8072 0.8235 0.6048 0.7566 0.5127 0.8021 0.8509 0.6737 0.8495 0.8500 0.7922 0.7900 0.8538 0.8319 0.2148 0.6862 0.8527 0.8093 0.5779 0.7596 0.6461 0.8489 0.8548 0.5273 0.7468 0.6753 0.3238 0.8276 0.6903 0.8565 0.8297 0.8557 0.8546 0.8354 0.7918 0.8011 0.7106 0.8320 0.8566 0.8544 0.8293 0.8006 0.8400 0.8461 0.8505 0.7210 0.8393 0.8485 0.8379 0.8512 0.8571 0.7940 0.8390 0.7586 0.8050 0.7268 0.8558 0.6075 0.8256 0.8530 0.8417 0.8535 0.8470 0.8488 0.8536 0.8117 0.8471 0.8568 0.8444 0.8554 0.8567 0.8570 0.8206 0.8153 0.6851 0.8392 0.8571 0.2758 0.6300 0.2844 0.1648 0.8540 0.4735 0.2451 0.2752 0.8558 0.5392 0.6591 0.1996 0.4588 0.5705 0.0087 0.8189 0.6052 0.6682 0.5215 0.4430 0.2601 0.1122 0.1079 0.7762 0.7984 0.8559 0.8083 0.8198 0.8570 0.8167 0.8571 0.0545 0.8267 0.3539 0.8537 0.3456 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 6 7 1 6 6 6 6 6 7 1 6 6 6 1 6 6 6 6 6 6 1 6 7 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 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 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 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 2465.7557 12585.5113 14048.8259 1.00000 0.00205 0.00017 -0.00205 1.00000 0.00125 -0.00016 -0.00125 1.00000 1 0.03513 0.00688 0.00617 0.73192 0.14340 0.12846 38.86 52.90 80.51 101.53 106.43 156.89 167.46 203.53 235.57 268.55 294.72 319.22 348.69 351.21 369.74 387.03 404.80 418.26 468.67 487.69 499.28 539.26 578.23 624.46 651.98 658.87 696.14 710.92 730.13 754.34 775.53 811.41 866.15 1017.35 1149.19 1183.29 1229.14 1246.09 1251.32 1271.57 1291.78 1336.74 1341.50 1394.75 1397.22 1413.89 1440.77 1443.24 1471.28 1478.36 1508.08 1529.76 1534.49 1545.89 1556.50 1563.15 1613.98 1631.29 1636.04 1662.19 1668.87 1693.09 1708.75 1719.65 1727.05 1750.43 1765.18 1791.43 1807.87 1860.47 1879.20 1913.80 1946.62 1950.20 1961.28 1999.22 2012.81 2043.67 2057.36 2067.17 2084.88 2092.49 2104.76 2129.07 2140.64 2152.42 2163.23 2175.89 2181.06 2188.86 2199.71 2205.18 2215.67 2220.06 2234.13 2240.22 2244.38 2256.54 2263.48 2265.76 2281.65 2291.88 2299.60 2308.98 2320.99 2331.70 2340.38 2346.89 2348.41 2353.43 2356.22 2358.41 2359.27 2364.67 2370.08 2376.74 2381.15 2383.31 2384.16 2393.31 2460.31 2622.35 2630.45 4571.54 4609.75 4610.57 4615.79 4625.31 4631.92 4641.03 4650.36 4653.52 4664.84 4689.49 4691.53 4696.23 4703.77 4709.35 4714.02 4715.54 4716.56 4720.30 4725.09 4736.18 4744.30 4755.25 4778.80 4786.19 4837.09 4842.21 4851.04 4855.41 4860.05 4865.15 5188.30 5317.00 5325.98 5332.99 5342.22 0.571323 0.591028 0.591972 0.522869 -788.724554 -788.704849 -788.703905 -788.773008 2.317726D-04 MUNgauss RevisionA2.1 retrievium 30-Apr-2021 DUDE C[NH+](C)CC1CC[NH+](CC1)[C@H]2CCCCC[C@@H]2C[NH3+] C42391481 RHF 6-31G(d) (6D,10F) C1 270.290923 |X|Y|Z| 83.155399 35.094670 20.312230 38.990883 13 6 7 12 1 |36.858105| |12.630923|53.358707| |9.368232|25.713817|0.500000| |7.722064|17.269710|0.259131|36.858105| |7.698494|17.221305|0.256335|7.560105|36.858105| |4.903373|10.026545|0.192551|6.003341|12.379999|36.858105| |3.835791|6.670006|0.126393|4.261062|7.623056|12.373455|36.858105| |3.003755|5.068118|0.100736|3.452119|4.913304|7.493171|12.465630|36.858105| |2.833957|4.743177|0.099415|3.162499|4.330483|6.372111|7.588682|12.631065|53.358707| |2.850336|4.649110|0.097784|2.996238|4.296294|5.882229|7.183456|9.332260|25.750106|0.500000| |3.185793|5.585845|0.123362|3.696273|4.844075|7.484659|6.531954|7.679551|17.114241|0.262096|36.858105| |4.245681|8.037859|0.184244|4.768457|7.384296|12.393370|7.648597|6.524347|10.278705|0.199709|12.455136|36.858105| |2.313842|3.741810|0.078638|2.586988|3.215869|4.267417|4.842516|7.347324|16.695310|0.253672|7.513041|4.881217|36.858105| |2.261014|3.636022|0.078048|2.498354|3.038357|3.931059|4.157820|5.564432|12.499580|0.219830|7.577270|4.818079|17.626707|0.500000| |2.192341|3.563113|0.074067|2.574582|2.985172|3.927365|4.308779|6.407792|10.265287|0.156832|6.023613|4.186154|12.325230|0.243370|36.858105| |1.905847|3.032777|0.063584|2.217407|2.449601|3.053819|3.209354|4.228209|6.672509|0.113901|4.445724|3.302461|7.292356|0.192544|12.404460|36.858105| |1.702677|2.648854|0.055331|1.915322|2.140946|2.583247|2.775757|3.548956|5.525933|0.100900|3.553150|2.776863|5.985051|0.161728|7.324784|12.481265|36.858105| |1.707635|2.635852|0.055513|1.865327|2.138940|2.560322|2.756827|3.463168|5.721892|0.109912|3.633237|2.837879|6.343937|0.189932|5.973455|7.490521|12.457634|36.858105| |1.796551|2.762444|0.057768|1.920569|2.296276|2.752592|3.091508|3.947712|6.588129|0.133083|3.829367|3.028683|7.371911|0.200336|5.753645|5.668257|7.323946|12.389298|36.858105| |2.058410|3.218069|0.066701|2.216065|2.767186|3.441821|4.096430|5.732241|9.877717|0.196344|4.861994|3.732524|12.179210|0.244240|7.432959|5.731351|5.981606|7.079755|12.189631|36.858105| |1.999078|3.116268|0.063650|2.178746|2.688186|3.318190|4.060884|5.793726|8.445403|0.160475|4.274093|3.411830|8.881577|0.176223|7.411731|5.619838|5.920968|6.048888|8.785106|17.551538|0.500000| |2.122586|3.257361|0.067267|2.182487|2.850098|3.426632|4.199793|5.320011|8.753323|0.212332|4.426995|3.704909|7.248197|0.172993|4.859922|3.943159|4.073708|4.854330|7.603084|12.334656|0.248426|36.858105| |1.853211|2.776873|0.056948|1.881487|2.380911|2.739468|3.285326|3.908003|5.835839|0.132983|3.277949|2.876289|4.827157|0.121391|3.776166|3.310966|3.637401|4.325721|6.641156|7.565206|0.193096|12.607526|53.358707| |1.790928|2.681741|0.054513|1.839452|2.298627|2.638775|3.202219|3.846945|5.428062|0.118510|3.055761|2.695020|4.510072|0.109913|3.758103|3.299673|3.662717|4.132830|6.052870|6.972897|0.208239|8.999083|25.586545|0.500000| |1.852608|2.738942|0.056017|1.838419|2.351213|2.641538|3.160754|3.576147|5.224926|0.121923|3.027785|2.755368|4.041083|0.103929|3.226900|2.842749|3.053799|3.557400|4.986712|5.591622|0.145187|9.057081|25.571727|0.325157|0.500000| |1.726595|2.578123|0.053257|1.757170|2.170386|2.482677|2.879390|3.396312|5.199591|0.116107|3.042891|2.648273|4.482938|0.118220|3.579415|3.296367|3.773517|4.733139|7.449846|6.824122|0.168105|9.011571|25.607035|0.324937|0.325590|0.500000| |17.658628|12.256788|0.224713|7.196107|5.600767|4.070805|3.231409|2.645974|3.457969|0.070484|2.885740|3.708247|2.124220|0.058242|2.034725|1.798397|1.608380|1.609555|1.674158|1.890116|0.050951|1.930595|2.312877|0.045650|0.047073|0.044356|0.500000| |17.656648|12.219460|0.224395|5.606852|7.099941|4.673707|3.786423|2.965956|3.887604|0.081753|3.181608|4.272305|2.324392|0.063507|2.156086|1.876131|1.692437|1.719532|1.825264|2.088469|0.055851|2.193394|2.607358|0.051009|0.053648|0.049537|0.299365|0.500000| |17.649064|12.256969|0.181392|7.010655|7.029713|4.534090|3.763314|2.926358|3.648009|0.074662|2.913952|3.741332|2.206879|0.059164|2.110807|1.832903|1.646148|1.640915|1.732866|1.990264|0.054341|2.055729|2.468144|0.049090|0.050483|0.046742|0.299156|0.298427|0.500000| |5.596240|12.195438|0.222528|17.676938|6.854353|6.650911|4.543243|3.820450|4.768490|0.089504|4.223233|5.300373|2.860938|0.076550|2.907805|2.483833|2.100640|2.022494|2.061761|2.389813|0.065294|2.302921|2.673802|0.053423|0.052748|0.051041|0.146350|0.125482|0.142376|0.500000| |7.226308|12.295932|0.223631|17.655841|5.551184|4.604581|3.461136|2.920974|3.750349|0.073105|3.225431|4.018912|2.317347|0.063062|2.311562|2.037796|1.773715|1.731808|1.767181|2.002900|0.054512|1.972152|2.340028|0.046620|0.046765|0.044972|0.224497|0.146599|0.176291|0.300591|0.500000| |6.999896|12.291227|0.181047|17.645735|6.937265|5.397892|4.181742|3.353341|4.034743|0.078216|3.303904|4.099380|2.449110|0.064784|2.457733|2.114511|1.842649|1.784419|1.847815|2.137605|0.059177|2.113537|2.507380|0.050463|0.050148|0.047587|0.174991|0.142600|0.209546|0.298510|0.299533|0.500000| |7.012975|12.484423|0.181710|7.118239|17.615349|8.802208|7.167172|4.638260|5.247357|0.105420|4.053993|5.441039|2.960847|0.076445|2.812249|2.317337|2.042450|2.018853|2.171745|2.613935|0.072086|2.690803|3.121764|0.062404|0.063116|0.057831|0.143762|0.171662|0.211172|0.173634|0.145092|0.215607|0.500000| |7.472116|12.429821|0.218689|5.589076|17.609049|8.800292|6.817135|4.531628|5.691932|0.121744|4.546216|6.859451|3.119331|0.082813|2.801367|2.321598|2.067889|2.105607|2.292007|2.750407|0.073305|2.931968|3.343123|0.065112|0.068402|0.062023|0.149113|0.229855|0.184945|0.140418|0.126548|0.144650|0.302556|0.500000| |4.501404|9.264653|0.175890|6.728046|8.829957|17.546258|8.922264|6.895954|7.756914|0.137065|6.835150|8.852536|4.117260|0.104813|4.087147|3.187780|2.629760|2.533086|2.654318|3.269185|0.089284|3.118336|3.453256|0.068856|0.067199|0.064528|0.108241|0.113591|0.117894|0.237830|0.139174|0.167552|0.209288|0.173392|0.500000| |3.743295|6.290285|0.114016|4.233865|6.934505|8.746472|17.572680|9.008614|7.581410|0.145874|4.892336|5.523407|4.053724|0.096833|3.836790|2.936105|2.569890|2.505197|2.784422|3.598710|0.103151|3.660657|4.100063|0.083682|0.081053|0.073457|0.087593|0.100252|0.106724|0.123118|0.094933|0.122315|0.215266|0.166481|0.214808|0.500000| |3.795329|6.210849|0.119288|3.775808|7.034866|8.782294|17.506656|8.819269|9.264903|0.209504|5.710727|6.855267|4.502251|0.110129|3.792872|2.921381|2.613097|2.672830|3.073798|4.048955|0.109122|4.502513|4.791997|0.093550|0.096723|0.084485|0.087988|0.108887|0.103236|0.107236|0.087668|0.102893|0.181149|0.206426|0.174012|0.303871|0.500000| |2.883669|4.918338|0.097419|3.541633|4.528947|6.793818|8.814972|17.674371|12.368416|0.181961|7.004663|5.769926|6.767288|0.144562|7.322506|4.662314|3.711162|3.430178|3.711400|5.094047|0.148975|4.383034|4.632322|0.095019|0.085898|0.084442|0.071675|0.077269|0.078412|0.112693|0.083173|0.095990|0.121341|0.111179|0.204538|0.215766|0.173143|0.500000| |2.671926|4.318758|0.085240|2.958785|4.088315|5.468047|8.801543|17.635310|12.282675|0.221365|5.592100|4.886388|6.876722|0.141300|5.960585|4.067424|3.605570|3.534854|4.219415|6.430218|0.196903|6.167931|6.220617|0.129184|0.114745|0.106233|0.065761|0.073959|0.073468|0.088774|0.070828|0.081503|0.111513|0.108565|0.141040|0.215903|0.213464|0.303086|0.500000| |3.036263|5.371478|0.117334|3.794327|4.450291|6.730838|5.726586|6.963710|12.319287|0.182805|17.667107|8.795599|6.919520|0.189059|6.775331|4.982081|3.726901|3.609321|3.619890|4.453723|0.113414|3.838271|4.027983|0.078421|0.075372|0.077174|0.077693|0.081988|0.077844|0.125958|0.092192|0.094070|0.106814|0.111002|0.200468|0.128187|0.132154|0.209091|0.142866|0.500000| |2.899435|4.885732|0.110508|3.224044|4.028858|5.472484|4.911143|5.608022|12.315521|0.226949|17.638006|8.817459|7.123928|0.240189|5.442226|4.395874|3.607194|3.859371|3.991559|4.765142|0.111588|4.370971|4.441117|0.082798|0.083728|0.086223|0.074318|0.081772|0.073114|0.100052|0.080760|0.079915|0.094645|0.109367|0.139773|0.107940|0.128609|0.143344|0.126149|0.302119|0.500000| |4.223745|7.358781|0.168642|4.142272|6.849488|8.796214|6.848771|5.685039|9.200712|0.208976|8.831978|17.511273|4.526115|0.126470|3.699022|2.991740|2.611260|2.747312|3.004542|3.673701|0.091731|3.874964|4.090327|0.076799|0.081523|0.076572|0.101345|0.125340|0.102764|0.120178|0.099809|0.101323|0.141553|0.208508|0.173382|0.139725|0.201346|0.132520|0.127296|0.173178|0.215687|0.500000| |4.446258|8.613130|0.222460|5.185462|6.559362|8.683285|5.505823|4.894116|7.577519|0.146446|9.065960|17.549288|4.111416|0.117259|3.704039|3.074107|2.580273|2.622008|2.714808|3.199526|0.081682|3.129572|3.419266|0.065639|0.067041|0.065425|0.111936|0.122175|0.104888|0.162847|0.125504|0.117057|0.135511|0.166313|0.211386|0.122524|0.139344|0.129292|0.107667|0.217527|0.216861|0.303916|0.500000| |2.383693|3.969754|0.082767|2.922428|3.294235|4.478584|4.634939|6.673623|10.155281|0.149776|6.977794|4.739638|8.807572|0.201343|17.599077|9.026434|5.473763|4.622721|4.412749|5.484396|0.150631|4.082530|4.382267|0.088545|0.078899|0.084492|0.061556|0.064274|0.063413|0.094257|0.072308|0.076658|0.085473|0.083644|0.136112|0.114132|0.108614|0.236606|0.156125|0.255817|0.163971|0.110310|0.118182|0.500000| |2.129792|3.426677|0.069874|2.494897|2.906242|3.753806|4.344268|6.595394|8.812700|0.141375|4.945470|3.754931|8.833504|0.173902|17.556781|8.838711|6.581233|5.209924|5.348708|7.165961|0.239174|4.807229|5.280232|0.111968|0.091727|0.100015|0.054666|0.057988|0.057793|0.077558|0.061920|0.067485|0.078023|0.075562|0.108985|0.112114|0.105610|0.217565|0.187588|0.149717|0.121330|0.093479|0.091636|0.304642|0.500000| |1.924298|3.068785|0.065313|2.239121|2.435704|3.022505|3.055157|3.869308|6.381142|0.110530|4.629116|3.392510|6.569041|0.200578|8.851471|17.533598|8.887024|6.919160|5.069988|4.948934|0.127060|3.626341|4.129063|0.082050|0.073612|0.084828|0.050797|0.052702|0.050889|0.069896|0.057673|0.058516|0.063126|0.064280|0.087485|0.076678|0.077788|0.116328|0.100274|0.145939|0.133900|0.085160|0.089971|0.220712|0.174005|0.500000| |1.844507|2.929665|0.060954|2.186879|2.339810|2.879146|2.996670|3.842957|5.641684|0.097091|3.877716|3.015177|5.446980|0.141178|9.016595|17.579476|8.880758|5.493148|4.409435|4.521974|0.130064|3.325116|3.922728|0.081258|0.069944|0.079219|0.048595|0.049968|0.049582|0.068394|0.056006|0.058343|0.062244|0.060923|0.085501|0.078091|0.074894|0.122296|0.102807|0.124104|0.103897|0.075221|0.079100|0.223611|0.219865|0.304825|0.500000| |1.580742|2.440565|0.051079|1.779025|1.941330|2.300944|2.424314|2.989158|4.566653|0.084636|3.071830|2.467609|4.551008|0.127874|5.451291|8.974168|17.590441|8.920866|5.486204|4.489804|0.123705|3.338622|4.189271|0.086111|0.073586|0.089710|0.041807|0.043557|0.042458|0.054076|0.046203|0.047546|0.051574|0.052068|0.065490|0.062986|0.063575|0.087325|0.083564|0.090303|0.087483|0.064580|0.064926|0.125178|0.138870|0.215592|0.220555|0.500000| |1.660530|2.568564|0.053070|1.861789|2.093505|2.507026|2.761691|3.546793|5.235913|0.096401|3.261005|2.618874|5.429596|0.136445|6.660537|8.792523|17.510601|8.777544|6.940612|5.995242|0.184749|4.114083|5.198706|0.111467|0.088202|0.108771|0.043418|0.045793|0.044983|0.056414|0.047723|0.050305|0.056199|0.056157|0.070887|0.072291|0.072300|0.103225|0.103875|0.094276|0.089486|0.068711|0.066967|0.138675|0.193651|0.173324|0.211320|0.305308|0.500000| |1.766899|2.739582|0.058403|1.930672|2.201374|2.643531|2.767699|3.418570|5.896060|0.113403|3.950007|3.025884|6.385045|0.221095|5.755934|7.193300|8.854600|17.540604|8.798088|6.142651|0.139805|4.515501|5.267737|0.099912|0.091258|0.116097|0.046436|0.049519|0.046735|0.058334|0.050000|0.050752|0.056978|0.060279|0.072487|0.068899|0.074542|0.093797|0.093605|0.108631|0.122130|0.081323|0.078696|0.130655|0.130833|0.218707|0.145231|0.205012|0.173508|0.500000| |1.562018|2.380350|0.050064|1.687470|1.913601|2.240424|2.399026|2.915175|4.655272|0.091605|3.030349|2.459927|4.695682|0.139395|4.496828|5.541338|8.854221|17.586668|9.047994|5.383808|0.134463|4.141376|5.418209|0.106462|0.092717|0.125842|0.041097|0.043781|0.041804|0.050417|0.043847|0.045006|0.050456|0.052608|0.061519|0.061347|0.065277|0.080086|0.083309|0.083456|0.089507|0.066882|0.063881|0.102319|0.114493|0.146980|0.124904|0.227037|0.201722|0.306738|0.500000| |1.784032|2.719587|0.057296|1.867549|2.248809|2.654495|2.935896|3.593166|6.128703|0.130730|3.695742|2.985389|6.186833|0.185775|4.644284|4.559113|5.466058|8.976651|17.488165|8.789401|0.176075|7.567127|9.248787|0.156489|0.147344|0.231008|0.046248|0.050831|0.047542|0.055232|0.047994|0.049671|0.058604|0.063275|0.070024|0.072843|0.082994|0.091937|0.104758|0.094415|0.110876|0.084403|0.074800|0.105555|0.117988|0.121475|0.101689|0.124767|0.140197|0.224665|0.216945|0.500000| |1.672459|2.543081|0.052714|1.778275|2.109944|2.481100|2.815970|3.520118|5.467865|0.111159|3.222130|2.652108|5.528680|0.143873|4.786973|4.797205|6.482037|8.965502|17.538134|8.874053|0.229300|6.635108|9.656123|0.196062|0.144624|0.234874|0.043343|0.047144|0.045186|0.052679|0.045562|0.047987|0.056206|0.058549|0.066759|0.072170|0.078145|0.092752|0.107767|0.085660|0.091274|0.073291|0.066404|0.104923|0.133301|0.116701|0.110452|0.142476|0.194674|0.175839|0.230737|0.302238|0.500000| |2.308743|3.548311|0.072253|2.351149|3.203869|3.855720|5.069655|6.310898|9.315656|0.236500|4.551083|3.998706|6.425216|0.147836|4.571199|3.576112|3.539215|3.942051|5.473300|8.605960|0.213790|17.614373|12.551287|0.217805|0.227396|0.180381|0.057551|0.066411|0.062576|0.068448|0.058332|0.063768|0.084771|0.092247|0.095250|0.122000|0.157876|0.135142|0.218814|0.108284|0.118663|0.117308|0.091364|0.111244|0.130004|0.091254|0.086357|0.082042|0.100647|0.103511|0.094797|0.147449|0.139536|0.500000| |2.152246|3.286201|0.068880|2.170650|2.841174|3.371870|3.937933|4.692855|8.285989|0.216112|4.529808|3.826725|6.528027|0.177430|4.335436|3.654989|3.741170|4.640880|6.810458|8.668795|0.173336|17.599303|12.466624|0.179402|0.220531|0.222084|0.054547|0.062492|0.057232|0.063309|0.054878|0.057747|0.073137|0.082611|0.084037|0.093674|0.119671|0.108356|0.139346|0.105797|0.131269|0.115231|0.090593|0.104756|0.113419|0.097527|0.085382|0.087292|0.100893|0.127309|0.111813|0.220882|0.157508|0.299924|0.500000| 788.732120 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