Version2.2
2021-02-12T20:39:32Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
11-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE C[C@]1([C@@](N(C(=O)O1)N2C(=O)O[C@@]([C@@]2(C)O)(C)Cc3ccccc3)(C)O)Cc4ccccc4 C12402038
RHF
6-31G(d)
(6D,7F)
C[C@]1([C@@](N(C(=O)O1)N2C(=O)O[C@@]([C@@]2(C)O)(C)Cc3ccccc3)(C)O)Cc4ccccc4
C01[X(C24H28N2O6)]
174
C1
536
O=C1O[C@]([C@@](N1N1C(=O)O[C@@]([C@@]1(C)O)(C)Cc1ccccc1)(C)O)(C)Cc1ccccc1
O=C1O[C@]([C@@](N1N1C(=O)O[C@@]([C@@]1(C)O)(C)Cc1ccccc1)(C)O)(C)Cc1ccccc1
C[C@]1(O)N(N2C(=O)O[C@](C)(Cc3ccccc3)[C@@]2(C)O)C(=O)O[C@@]1(C)Cc4ccccc4
InChIKey=DQGRJAZMPUBWTA-UEQSERJNSA-N
InChI=1S/C24H28N2O6/c1-21(15-17-11-7-5-8-12-17)23(3,29)25(19(27)31-21)26-20(28)32-22(2,24(26,4)30)16-18-13-9-6-10-14-18/h5-14,29-30H,15-16H2,1-4H3/t21-,22+,23-,24-/m1/s1
InChI=1/C24H28N2O6/c1-21(15-17-11-7-5-8-12-17)23(3,29)25(19(27)31-21)26-20(28)32-22(2,24(26,4)30)16-18-13-9-6-10-14-18/h5-14,29-30H,15-16H2,1-4H3/t21-,22+,23-,24-/m1/s1
C[C@]1([C@@](N(C(=O)O1)N2C(=O)O[C@@]([C@@]2(C)O)(C)Cc3ccccc3)(C)O)Cc4ccccc4
C01[X(C24H28N2O6)]
174
C01
536
O=C1O[C@]([C@@](N1N1C(=O)O[C@@]([C@@]1(C)O)(C)Cc1ccccc1)(C)O)(C)Cc1ccccc1
O=C1O[C@]([C@@](N1N1C(=O)O[C@@]([C@@]1(C)O)(C)C[C]1[CH][CH][CH][CH][CH]1)(C)O)(C)C[C]1[CH][CH][CH][CH][CH]1
C[C@]1(O)N(N2C(=O)O[C@](C)(C[C]3[CH][CH][CH][CH][CH]3)[C@@]2(C)O)C(=O)O[C@@]1(C)C[C]4[CH][CH][CH][CH][CH]4
InChIKey=DQGRJAZMPUBWTA-UEQSERJNSA-N
InChI=1S/C24H28N2O6/c1-21(15-17-11-7-5-8-12-17)23(3,29)25(19(27)31-21)26-20(28)32-22(2,24(26,4)30)16-18-13-9-6-10-14-18/h5-14,29-30H,15-16H2,1-4H3/t21-,22+,23-,24-/m1/s1
InChI=1/C24H28N2O6/c1-21(15-17-11-7-5-8-12-17)23(3,29)25(19(27)31-21)26-20(28)32-22(2,24(26,4)30)16-18-13-9-6-10-14-18/h5-14,29-30H,15-16H2,1-4H3/t21-,22+,23-,24-/m1/s1
3429.3629024725
-1483.2685229
1-A
17883.7715
117
419
536
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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0.13815 0.14151 0.14237 0.14432 0.19293 0.20432 0.21937 0.22009 0.22904 0.23225 0.24432 0.25196 0.26575 0.26593 0.28080 0.28498 0.28680 0.29363 0.29490 0.30148 0.30847 0.31164 0.31606 0.31735 0.32057 0.32249 0.32548 0.32732 0.33105 0.33755 0.34489 0.34708 0.34756 0.34985 0.35409 0.35715 0.36340 0.37121 0.37583 0.38087 0.38677 0.39984 0.40935 0.41117 0.41992 0.42644 0.43822 0.44975 0.45887 0.46536 0.47368 0.48049 0.48201 0.48992 0.50222 0.50682 0.51112 0.51700 0.52916 0.53706 0.54182 0.55117 0.55747 0.57002 0.61037 0.62032 0.63497 0.64128 0.65759 0.69014 0.69181 0.70333 0.71769 0.72233 0.72688 0.73514 0.73894 0.74451 0.75308 0.75878 0.76288 0.76906 0.77513 0.78098 0.78724 0.78914 0.79209 0.79422 0.79943 0.80628 0.80887 0.81586 0.82318 0.82598 0.82954 0.83564 0.83889 0.84192 0.84446 0.84641 0.84703 0.85190 0.85953 0.86068 0.87102 0.87540 0.88167 0.89932 0.90297 0.90518 0.90932 0.91405 0.91938 0.93073 0.93558 0.94582 0.96283 0.96594 0.96766 0.98235 0.98340 0.99517 1.00002 1.01620 1.02083 1.02949 1.04415 1.05345 1.06168 1.06741 1.07791 1.08166 1.08439 1.09742 1.09989 1.10632 1.11272 1.11522 1.11672 1.11815 1.12116 1.12274 1.12854 1.13064 1.13833 1.14476 1.15863 1.16265 1.16625 1.16774 1.17686 1.18040 1.18448 1.18780 1.19355 1.19588 1.20275 1.21036 1.21320 1.21749 1.22520 1.22634 1.23179 1.23373 1.24827 1.25118 1.25458 1.26313 1.27013 1.27649 1.28039 1.28966 1.30228 1.31160 1.31752 1.32367 1.32949 1.33189 1.34192 1.34475 1.35779 1.36263 1.37526 1.37923 1.38852 1.39588 1.40234 1.41577 1.42126 1.43617 1.44103 1.44416 1.44695 1.45211 1.46266 1.47913 1.49791 1.50122 1.51774 1.52346 1.53523 1.53806 1.57061 1.58136 1.59954 1.60689 1.61568 1.63073 1.64741 1.65896 1.66128 1.67855 1.68892 1.70064 1.70430 1.71491 1.72921 1.73672 1.74309 1.76081 1.76447 1.76820 1.76977 1.77415 1.78090 1.78238 1.79427 1.79538 1.80790 1.81250 1.82920 1.83449 1.85026 1.85875 1.88396 1.90935 1.92829 1.93729 1.95838 1.96555 1.98266 2.00037 2.02089 2.03783 2.04557 2.05330 2.06032 2.08531 2.09066 2.10625 2.10794 2.11226 2.12037 2.12467 2.12717 2.12962 2.13397 2.14412 2.15118 2.16023 2.16645 2.17792 2.18582 2.18754 2.19559 2.20979 2.21370 2.23489 2.24019 2.24066 2.25169 2.25371 2.26737 2.27423 2.28295 2.28966 2.29544 2.30771 2.31609 2.32107 2.32981 2.33033 2.34766 2.35640 2.36692 2.36920 2.37991 2.38151 2.39838 2.40097 2.40257 2.40975 2.41814 2.43215 2.45335 2.46512 2.46586 2.47155 2.47273 2.48112 2.49185 2.49393 2.50929 2.51080 2.51587 2.52290 2.53431 2.54324 2.55175 2.55552 2.58707 2.59490 2.60831 2.61246 2.62859 2.63078 2.63959 2.64475 2.64796 2.65069 2.65522 2.66480 2.68454 2.69946 2.70321 2.70521 2.72275 2.73796 2.74941 2.75468 2.76688 2.79120 2.80000 2.80733 2.82077 2.84263 2.88702 2.91014 2.91798 2.92120 2.92656 2.93043 2.93250 2.94199 2.95823 2.98027 2.98719 3.00384 3.01521 3.02112 3.02908 3.04653 3.08288 3.08778 3.09320 3.09633 3.10662 3.11689 3.12208 3.12655 3.13047 3.13370 3.13842 3.14711 3.15380 3.15809 3.18635 3.20009 3.21562 3.23512 3.27894 3.29593 3.31224 3.33890 3.35375 3.37747 3.37965 3.38577 3.44277 3.44407 3.47307 3.52877 3.64876 3.66108 3.70395 3.82752 3.82889 4.37600 4.41201 4.43737 4.51422 4.53134 4.53313 4.54665 4.55048 4.57614 4.60478 4.62699 4.63999 4.68661 4.70021 4.71355 4.76561 4.77160 4.77640 4.80683 4.81128 4.85023 4.86851 4.94805 5.02181 5.02995 5.13433 5.15138 5.18685 5.22940 5.27897 5.31788 5.33507
12.67387
-0.6150 0.9090 -5.1385
5.2544
|XX|YY|ZZ|XY|XZ|YZ|
-161.4314 -196.2970 -189.4994 -2.9732 -2.5313 -4.6542
|XX|YY|ZZ|XY|XZ|YZ|
20.9779 -13.8877 -7.0901 -2.9732 -2.5313 -4.6542
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-15.3577 -5.0922 -4.6434 -42.1749 18.1980 -5.4780 37.7780 9.5783 4.6574 22.9981
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-18963.4240 -2043.8186 -1519.0300 153.1490 -62.0036 101.4482 -38.3299 -7.2271 25.2516 -3894.5824 -3719.6958 -587.0292 -56.0095 -68.3472 -61.4028
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18.0998 19.9704 34.5866 34.6950 50.0609 57.5987 85.0446 88.0158 101.1477 128.8360 142.2546 164.3199 172.8180 183.8458 201.6672 227.7876 234.7731 247.0417 264.5345 268.7722 276.1360 286.4558 290.5872 305.2185 323.3740 335.3326 340.2421 360.2911 382.5533 392.8830 394.3088 413.2559 428.7915 435.2885 445.6561 457.1052 457.3088 494.5441 508.3556 515.4894 530.3823 547.5459 555.8988 587.8956 609.0008 617.9616 632.2155 648.8456 668.0068 675.3968 680.6164 683.7958 685.9218 724.3783 749.1581 773.7892 781.0748 785.8742 815.1897 839.9693 854.8736 887.5611 888.0934 892.3589 904.9270 911.0638 958.3225 960.1741 976.7962 992.9471 1016.8042 1021.6674 1033.1648 1040.7484 1049.2037 1059.8317 1070.4354 1089.5019 1090.4912 1091.9910 1096.1930 1102.0211 1103.2736 1126.9176 1127.0385 1132.6766 1132.9639 1156.0457 1170.8951 1185.7087 1187.4046 1194.6565 1197.7468 1217.7733 1226.0207 1238.8777 1247.0569 1274.3699 1287.6586 1294.7753 1304.2779 1306.0991 1308.4779 1323.3897 1324.9158 1331.3305 1334.5594 1362.0113 1370.8208 1394.6488 1399.6799 1403.5244 1421.3522 1436.2557 1476.0775 1490.6548 1493.6560 1517.4367 1521.5828 1522.1918 1528.0731 1574.6565 1577.7139 1582.7510 1583.1942 1603.7937 1617.2445 1621.0293 1621.5808 1626.0589 1629.3178 1632.3122 1639.5955 1640.2401 1644.5983 1647.8297 1652.6541 1657.1179 1672.4421 1672.8171 1784.5534 1785.4323 1812.1426 1812.2520 1998.8458 2022.9215 3224.3975 3229.9639 3236.8162 3240.4689 3242.6036 3244.9302 3275.5232 3296.3581 3304.4049 3307.9781 3310.3673 3312.2152 3325.7571 3334.8829 3338.4968 3344.6417 3347.1658 3348.2016 3359.0638 3360.0892 3370.6581 3371.6026 3383.1205 3383.3715 3392.7629 3392.8069 3999.0835 4004.5333
6.0924 5.4055 4.0018 4.4339 4.7700 5.1745 4.2771 4.1409 4.6565 4.8933 4.9454 6.2806 7.3107 7.3574 3.9416 2.1090 1.8361 3.1348 2.9496 2.7248 2.1996 2.7618 3.7663 3.7700 1.3288 2.2234 1.1058 2.4627 3.3859 2.3870 3.0982 3.7486 2.9691 2.3067 3.4583 2.9147 2.9211 1.9624 2.6548 1.7711 1.6413 2.7359 3.5189 5.2283 4.6615 4.0925 5.4932 4.8061 3.6676 4.6204 5.4736 5.6468 5.3514 4.3915 3.7602 3.5335 1.9369 2.1962 2.7149 1.9422 2.5355 9.2001 8.7800 2.9584 3.4898 3.2224 1.2488 1.2500 2.1670 2.0490 2.2710 2.2666 1.9222 1.4826 1.7344 2.1703 2.0828 2.4561 5.4738 3.5755 2.3073 1.3770 1.3739 1.3335 1.3252 2.2749 2.2538 2.1612 2.0121 1.8362 1.8599 2.8856 2.7949 1.9639 2.0880 2.1463 1.9213 3.3246 2.5835 2.7387 1.6106 1.2624 1.8216 2.1237 2.4017 1.7213 1.8543 2.7654 2.6510 3.6319 3.0389 2.2702 1.9272 3.2556 4.4289 1.2847 1.2780 1.6895 1.5042 1.5135 1.7030 1.2827 1.3491 1.6027 1.4545 2.8826 1.1635 1.9894 1.9113 1.0896 1.0689 1.0887 1.1011 1.0651 1.0696 1.0669 1.0584 1.0780 2.1735 2.1635 5.1526 5.1321 5.2578 5.2518 12.6212 12.6951 1.0630 1.0389 1.0431 1.0442 1.0464 1.0551 1.1010 1.1037 1.0984 1.1017 1.1001 1.0981 1.1018 1.1036 1.1043 1.1031 1.0881 1.0885 1.0890 1.0889 1.0931 1.0930 1.0962 1.0959 1.0976 1.0971 1.0676 1.0675
0.0012 0.0013 0.0028 0.0031 0.0070 0.0101 0.0182 0.0189 0.0281 0.0479 0.0590 0.0999 0.1286 0.1465 0.0944 0.0645 0.0596 0.1127 0.1216 0.1160 0.0988 0.1335 0.1874 0.2069 0.0819 0.1473 0.0754 0.1884 0.2919 0.2171 0.2838 0.3772 0.3216 0.2575 0.4047 0.3588 0.3599 0.2828 0.4042 0.2773 0.2720 0.4833 0.6407 1.0647 1.0186 0.9208 1.2936 1.1921 0.9643 1.2418 1.4939 1.5556 1.4834 1.3577 1.2434 1.2465 0.6962 0.7992 1.0630 0.8074 1.0917 4.2701 4.0800 1.3880 1.6838 1.5759 0.6757 0.6790 1.2182 1.1903 1.3834 1.3939 1.2089 0.9462 1.1249 1.4363 1.4061 1.7178 3.8351 2.5120 1.6335 0.9853 0.9853 0.9978 0.9917 1.7196 1.7045 1.7017 1.6253 1.5210 1.5450 2.4264 2.3624 1.7160 1.8491 1.9409 1.7605 3.1811 2.5238 2.7051 1.6143 1.2688 1.8375 2.1914 2.4840 1.7975 1.9458 3.0225 2.9351 4.1621 3.5077 2.6348 2.2939 3.9568 5.6855 1.6819 1.6799 2.2921 2.0519 2.0661 2.3429 1.8739 1.9786 2.3655 2.1480 4.3685 1.7929 3.0800 2.9612 1.6974 1.6718 1.7091 1.7440 1.6883 1.7045 1.7069 1.7032 1.7442 3.5818 3.5669 9.6679 9.6391 10.1728 10.1624 29.7104 30.6087 6.5115 6.3862 6.4391 6.4602 6.4826 6.5457 6.9598 7.0660 7.0666 7.1031 7.1031 7.0979 7.1801 7.2313 7.2514 7.2704 7.1823 7.1895 7.2395 7.2434 7.3174 7.3202 7.3919 7.3913 7.4440 7.4404 10.0593 10.0857
0.2567 0.3582 0.1377 0.2001 0.4607 1.1862 1.2751 0.3333 0.3781 0.5367 0.2515 1.1291 3.2748 15.0507 3.6986 0.4522 0.3042 5.4166 5.4287 1.5922 1.6783 2.1395 1.2118 0.7559 4.3301 0.6836 1.3330 13.5178 4.2981 4.0029 5.8229 2.2819 2.4567 2.6444 119.8281 0.6284 0.3437 10.8160 101.9520 24.4685 203.8577 57.5165 32.7045 6.4364 5.3232 2.6881 4.1190 11.9363 2.9848 1.3441 26.2854 11.0166 62.5732 9.4378 1.2837 11.5380 33.1309 41.7452 30.8790 30.3847 18.0891 30.7388 42.2424 3.5248 8.4015 4.3952 0.0535 0.1175 6.6865 7.6485 14.3862 7.5411 5.4704 7.5354 4.1949 19.0449 21.6954 17.5882 2.6037 9.4976 15.1836 0.3792 0.4876 0.2726 0.5007 3.0603 2.1394 30.8833 22.0096 2.7762 1.1876 21.0073 26.6192 6.6826 28.0182 37.4906 29.1407 110.6317 23.2222 40.7155 9.1393 5.3401 40.0730 13.2323 13.3519 49.1405 19.9546 37.3138 42.7758 37.1176 19.2327 36.7708 49.0950 45.2423 847.3131 2.8187 7.9683 25.2642 23.9370 71.5520 275.5873 12.7409 7.1895 54.3306 68.0021 7.5095 2.8763 10.7883 10.7422 0.2497 6.8885 0.8585 0.2789 0.5672 3.1546 0.4053 9.4701 3.6476 18.2146 14.0202 1.6051 1.5018 6.9107 2.7981 755.6829 462.1494 26.0149 8.6519 7.5654 0.6723 12.1122 26.3807 14.9054 18.9087 7.1822 69.4391 2.8150 13.1928 17.7566 6.7743 30.9258 19.4586 10.2230 8.0758 1.9818 1.8461 31.5860 27.6330 48.9958 37.1199 11.5268 10.4896 236.2682 235.8323
0.6428 1.2223 9.5719 3.1163 4.2790 0.3629 3.6989 3.4580 1.1888 0.1234 0.7421 2.3104 1.7878 0.8336 0.4278 0.3847 0.8177 0.2882 1.6726 3.5452 1.2564 0.4072 1.0465 0.9597 0.3041 0.6363 0.4326 0.8233 1.9611 0.4403 0.5962 0.2626 0.8203 2.1055 0.1108 0.0526 0.0973 0.8674 1.0355 2.4679 1.0537 2.6611 1.3751 0.9884 1.0678 0.9308 1.8358 5.2252 2.2761 6.0089 3.0333 4.4286 1.2994 16.5122 0.3825 4.0511 1.0363 1.2699 3.7130 5.3540 2.9307 0.6437 1.7112 3.2278 10.7478 5.7087 2.4602 2.4274 1.9156 3.6859 2.2816 5.7433 5.8309 0.8719 5.7940 6.6480 5.0708 9.8015 14.4948 35.9634 2.9869 0.3180 0.1864 0.3814 0.2410 8.9711 10.6412 3.4457 0.9020 0.1319 0.2450 2.3148 1.6037 4.0041 4.2238 5.1141 3.6997 2.7443 7.4142 1.5756 4.5332 4.1706 3.1457 6.5201 10.5073 1.4746 1.9495 7.5653 1.2539 2.3671 12.1469 9.6960 6.1041 5.1790 2.3606 0.2132 0.1618 3.4627 4.5593 4.3552 3.6976 1.5044 1.5427 0.8191 0.2530 3.0378 9.3740 1.6169 2.1651 15.4779 13.9017 26.3662 13.7268 8.6318 4.1649 6.2105 6.4127 4.8762 0.5509 0.5207 9.0215 9.3109 25.7237 46.9972 1.8900 6.9093 31.9683 44.8100 56.1289 4.2348 108.3763 247.7802 31.9643 38.0664 30.8065 41.8927 46.2704 120.3935 54.4214 31.0361 42.1637 47.7465 36.0441 37.7789 88.3490 85.8910 90.3566 94.9501 100.5643 104.8075 208.1605 218.8046 35.4052 32.6357
0.7484 0.7500 0.7495 0.7409 0.7489 0.7177 0.7088 0.7052 0.7311 0.7310 0.4712 0.3448 0.5314 0.6910 0.4254 0.7500 0.7140 0.6989 0.7005 0.5590 0.7413 0.7401 0.7422 0.6136 0.7473 0.7467 0.6551 0.4911 0.3539 0.6884 0.7196 0.7471 0.6101 0.6810 0.3093 0.5240 0.7478 0.5291 0.5171 0.3761 0.4431 0.5683 0.6308 0.1569 0.2545 0.7112 0.6622 0.2193 0.7463 0.5751 0.7042 0.7269 0.7491 0.0181 0.7417 0.1085 0.7365 0.0523 0.6381 0.0571 0.7407 0.6178 0.1066 0.3336 0.0574 0.0610 0.7487 0.7462 0.7495 0.7441 0.7144 0.6088 0.7446 0.5167 0.7397 0.7478 0.7499 0.0164 0.1677 0.1335 0.7001 0.1796 0.1821 0.4832 0.7316 0.1084 0.0951 0.5988 0.6930 0.5944 0.6448 0.6457 0.6918 0.5968 0.6579 0.7258 0.6879 0.6672 0.3385 0.7185 0.5630 0.7265 0.4420 0.2435 0.1036 0.7500 0.3689 0.6418 0.5786 0.7369 0.4720 0.4921 0.7432 0.7182 0.7303 0.4184 0.5341 0.1134 0.6863 0.3820 0.6198 0.6267 0.7228 0.6106 0.7438 0.1652 0.7170 0.6522 0.7390 0.7415 0.7261 0.6994 0.6292 0.7283 0.7186 0.6769 0.7150 0.6115 0.6960 0.6956 0.7469 0.7458 0.6536 0.5403 0.7248 0.0708 0.1943 0.0678 0.0100 0.6089 0.0812 0.0160 0.5137 0.7383 0.4810 0.6838 0.7154 0.5753 0.5861 0.7444 0.7408 0.7064 0.6418 0.6482 0.6934 0.7049 0.6987 0.6860 0.1813 0.1667 0.1236 0.0941 0.1890 0.2411
0.8561 0.8571 0.8568 0.8512 0.8564 0.8357 0.8296 0.8271 0.8447 0.8446 0.6406 0.5128 0.6940 0.8173 0.5969 0.8571 0.8331 0.8228 0.8239 0.7172 0.8514 0.8507 0.8520 0.7605 0.8553 0.8550 0.7916 0.6587 0.5228 0.8155 0.8369 0.8553 0.7579 0.8102 0.4724 0.6876 0.8557 0.6920 0.6817 0.5466 0.6141 0.7247 0.7736 0.2712 0.4058 0.8312 0.7968 0.3598 0.8547 0.7303 0.8264 0.8418 0.8566 0.0356 0.8517 0.1957 0.8482 0.0994 0.7791 0.1080 0.8510 0.7638 0.1926 0.5003 0.1085 0.1150 0.8563 0.8546 0.8568 0.8533 0.8334 0.7569 0.8536 0.6813 0.8504 0.8557 0.8571 0.0323 0.2872 0.2356 0.8236 0.3045 0.3081 0.6516 0.8450 0.1957 0.1736 0.7491 0.8187 0.7456 0.7841 0.7847 0.8178 0.7475 0.7936 0.8411 0.8151 0.8004 0.5058 0.8362 0.7204 0.8416 0.6131 0.3916 0.1877 0.8571 0.5390 0.7818 0.7330 0.8485 0.6413 0.6596 0.8527 0.8360 0.8441 0.5899 0.6963 0.2037 0.8140 0.5528 0.7653 0.7705 0.8391 0.7583 0.8531 0.2836 0.8352 0.7895 0.8499 0.8515 0.8413 0.8231 0.7724 0.8428 0.8362 0.8073 0.8338 0.7589 0.8207 0.8205 0.8551 0.8544 0.7905 0.7016 0.8405 0.1322 0.3253 0.1270 0.0198 0.7570 0.1502 0.0314 0.6787 0.8495 0.6496 0.8122 0.8341 0.7304 0.7390 0.8535 0.8511 0.8280 0.7819 0.7865 0.8190 0.8269 0.8227 0.8138 0.3070 0.2857 0.2200 0.1720 0.3180 0.3886
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60
6 6 6 7 6 8 8 7 6 8 8 6 6 6 8 6 6 6 6 6 6 6 6 6 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 15.99491 14.00307 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
4246.7701 29638.0502 30362.5016
1.00000 -0.00207 -0.00146 0.00200 0.99880 -0.04890 0.00156 0.04890 0.99880
1
0.02040 0.00292 0.00285
0.42497 0.06089 0.05944
26.04 28.73 49.76 49.92 72.03 82.87 122.36 126.64 145.53 185.37 204.67 236.42 248.65 264.51 290.15 327.74 337.79 355.44 380.61 386.70 397.30 412.15 418.09 439.14 465.26 482.47 489.53 518.38 550.41 565.27 567.32 594.58 616.94 626.28 641.20 657.67 657.97 711.54 731.41 741.67 763.10 787.80 799.81 845.85 876.22 889.11 909.62 933.54 961.11 971.75 979.26 983.83 986.89 1042.22 1077.87 1113.31 1123.79 1130.70 1172.88 1208.53 1229.97 1277.00 1277.77 1283.91 1301.99 1310.82 1378.81 1381.48 1405.39 1428.63 1462.95 1469.95 1486.49 1497.40 1509.57 1524.86 1540.12 1567.55 1568.97 1571.13 1577.18 1585.56 1587.36 1621.38 1621.56 1629.67 1630.08 1663.29 1684.66 1705.97 1708.41 1718.84 1723.29 1752.10 1763.97 1782.47 1794.24 1833.53 1852.65 1862.89 1876.57 1879.19 1882.61 1904.06 1906.26 1915.49 1920.13 1959.63 1972.31 2006.59 2013.83 2019.36 2045.01 2066.45 2123.75 2144.72 2149.04 2183.25 2189.22 2190.09 2198.56 2265.58 2269.98 2277.23 2277.86 2307.50 2326.85 2332.30 2333.09 2339.54 2344.22 2348.53 2359.01 2359.94 2366.21 2370.86 2377.80 2384.22 2406.27 2406.81 2567.57 2568.84 2607.27 2607.43 2875.89 2910.53 4639.19 4647.20 4657.06 4662.31 4665.38 4668.73 4712.75 4742.72 4754.30 4759.44 4762.88 4765.54 4785.02 4798.15 4803.35 4812.19 4815.82 4817.32 4832.94 4834.42 4849.63 4850.98 4867.56 4867.92 4881.43 4881.49 5753.79 5761.63
0.532224
0.559050
0.559994
0.474244
-1482.736299
-1482.709473
-1482.708529
-1482.794279
2.876069D-04
MUNgauss
RevisionA2.1
retrievium
12-Feb-2021
DUDE C[C@]1([C@@](N(C(=O)O1)N2C(=O)O[C@@]([C@@]2(C)O)(C)Cc3ccccc3)(C)O)Cc4ccccc4 C12402038
RHF
6-31G(d)
(6D,10F)
C1
440.194737
|X|Y|Z|
39.170011 34.135382 123.224419
54.821605
24
|36.858105|
|12.554290|36.858105|
|7.394351|12.150797|36.858105|
|5.315529|8.313139|13.053218|53.358707|
|5.504265|8.352597|8.141792|18.771058|36.858105|
|4.217084|5.558210|5.478311|11.324368|16.016395|73.516695|
|7.973734|13.182991|8.107326|11.845282|14.535849|15.236486|73.516695|
|3.966007|5.258953|7.716779|18.925138|8.070881|12.278459|9.841708|53.358707|
|3.616738|4.369539|5.837799|10.983870|6.555174|11.232781|8.525851|18.759027|36.858105|
|3.938203|4.492580|5.728577|9.410022|6.338953|10.651325|8.899377|11.323692|16.026288|73.516695|
|2.900643|3.405558|4.282328|7.532189|4.789230|8.860343|6.567717|11.846110|14.530599|15.231117|73.516695|
|2.689951|3.228250|4.052533|7.162848|4.368101|7.973050|6.055070|11.330992|8.349601|9.877161|23.406113|36.858105|
|3.152679|4.048095|5.198266|10.503673|5.836976|10.188713|7.609209|17.774606|8.139825|9.744372|14.406151|12.169360|36.858105|
|2.975441|3.802987|4.828149|8.329795|4.612043|7.639887|6.637664|10.432331|5.248517|7.184972|9.207305|7.308074|12.541909|36.858105|
|2.995606|3.849750|4.428775|8.918511|6.050375|12.009347|7.744902|10.989723|6.149452|8.266891|10.942917|7.738674|13.722770|8.225181|73.516695|
|2.494706|2.908008|3.708032|5.884358|3.510815|6.109736|5.181029|8.371986|6.103030|8.177949|14.231282|12.489995|7.364017|6.495148|8.995794|36.858105|
|2.287289|2.687492|3.150646|5.394476|3.612762|6.989856|5.152573|7.224694|5.478189|7.470028|14.030000|12.424579|7.407684|5.453479|12.343698|7.465440|36.858105|
|2.006592|2.280195|2.636527|4.267707|2.908466|5.560447|4.319919|5.426919|4.386244|6.462133|11.055992|7.383287|4.814268|3.959171|7.976881|6.331871|12.562464|36.858105|
|1.972197|2.198046|2.512523|4.007182|2.802707|5.408884|4.208188|4.978145|4.312881|6.705520|10.755897|5.774444|4.037347|3.279376|6.788438|5.037466|7.523810|13.680721|36.858105|
|1.750538|1.913771|2.158335|3.331961|2.344157|4.459839|3.620067|3.987544|3.379510|5.498960|7.724790|4.172198|3.151082|2.700299|5.324498|3.999637|5.004190|7.894721|13.763529|36.858105|
|1.604966|1.752105|1.970665|3.001022|2.091584|3.927758|3.267924|3.547455|2.884216|4.671878|6.381311|3.682157|2.856003|2.556952|4.816879|3.737030|4.418410|6.815247|7.926076|13.738808|36.858105|
|1.621846|1.791054|2.026533|3.102333|2.132368|3.981264|3.316331|3.695008|2.902970|4.583408|6.436963|4.007883|3.090947|2.838443|5.185050|4.177802|5.004662|7.883787|6.885185|7.960867|13.768383|36.858105|
|1.794178|2.018575|2.312422|3.627511|2.461578|4.616042|3.752705|4.445091|3.436249|5.219426|7.912096|5.370059|3.917321|3.539269|6.512201|5.417043|7.544592|13.711750|7.971996|6.901206|7.939079|13.738177|36.858105|
|5.424037|7.276001|12.539289|10.439133|5.249322|7.187541|9.195664|8.344097|4.618693|7.639560|6.652523|3.814350|4.834974|5.226296|7.085892|3.759018|2.978814|2.517749|2.346176|2.042415|1.906728|1.993027|2.273443|36.858105|
|6.915590|7.747574|13.731697|10.991530|6.150475|8.252982|10.962259|8.923798|6.055104|11.986482|7.756143|3.856001|4.431355|3.984985|6.623118|3.661702|2.992375|2.598829|2.545881|2.211321|2.001884|2.025195|2.274137|8.238282|73.516695|
|7.475474|12.352295|7.354784|8.341935|6.069994|8.153029|14.074870|5.871091|3.503731|6.101509|5.171093|2.904868|3.700075|3.748221|6.487399|2.648788|2.491314|2.109192|1.998717|1.753449|1.630599|1.687203|1.903082|6.492665|8.990873|36.858105|
|6.177576|7.357362|4.799005|5.969150|4.813554|7.112661|11.381735|4.561363|2.879537|5.108866|4.378301|2.442805|2.994562|2.991987|5.478752|2.223212|2.175286|1.872414|1.792204|1.589993|1.482008|1.524996|1.701289|4.290038|6.745743|12.556275|36.858105|
|5.421797|5.401515|3.885124|4.682999|3.637706|5.562140|8.168616|3.765789|2.443706|4.384546|3.779436|2.105657|2.498500|2.530366|4.497621|1.961277|1.891209|1.659973|1.597589|1.436342|1.347738|1.383339|1.526124|3.671291|5.837875|7.552031|13.706350|36.858105|
|4.137286|4.018432|3.074479|3.857210|3.054352|4.876371|6.624454|3.209843|2.130337|3.836709|3.353194|1.865397|2.170812|2.183027|3.967888|1.736847|1.708549|1.515554|1.466489|1.328600|1.249625|1.278529|1.400406|2.902440|4.796912|5.006795|7.882778|13.742901|36.858105|
|3.643718|3.674239|2.851515|3.739238|3.061754|5.044666|6.539273|3.139756|2.098897|3.770479|3.328868|1.850794|2.151354|2.134162|4.029539|1.699487|1.720287|1.523368|1.476830|1.336197|1.253910|1.281041|1.403787|2.635923|4.454276|4.417844|6.815484|7.940708|13.766368|36.858105|
|3.846218|4.140549|3.157263|4.301063|3.668213|6.114552|7.875372|3.555689|2.354261|4.198309|3.713885|2.066160|2.443054|2.388980|4.688865|1.860310|1.924898|1.681740|1.625581|1.456437|1.359188|1.390425|1.535793|2.836975|4.815621|5.000333|7.895588|6.902520|7.961269|13.743403|36.858105|
|4.807481|5.700613|4.052467|5.545172|4.831237|7.653795|10.936696|4.358249|2.798099|4.946107|4.317697|2.406817|2.939547|2.866008|5.637198|2.143494|2.197052|1.885118|1.809124|1.601394|1.487748|1.527843|1.705679|3.539070|5.867931|7.512340|13.688154|7.973841|6.885809|7.927364|13.762639|36.858105|
|17.566663|8.870809|6.668728|6.274931|4.431661|6.244548|10.144836|4.910783|3.274634|6.228380|4.772896|2.530477|2.930427|2.858163|4.859593|2.414114|2.148858|1.902990|1.861611|1.666629|1.542050|1.563850|1.722278|5.688312|11.554853|6.728657|5.488289|5.295580|4.000114|3.385293|3.431499|4.147187|0.500000|
|17.622387|8.897814|5.433419|6.001692|4.868608|6.994643|12.769042|4.623101|3.134830|6.020181|4.595628|2.415938|2.811807|2.664542|4.901014|2.227668|2.106915|1.858490|1.831647|1.635842|1.503682|1.517119|1.670068|4.300373|8.909848|6.930339|7.050576|6.489061|5.004504|4.357972|4.515810|5.511576|0.300543|0.500000|
|17.655727|8.856220|6.837126|7.019414|5.405877|7.562626|12.922650|5.467394|3.872149|7.919236|5.437052|2.743212|3.121331|2.858836|5.221507|2.541646|2.323926|2.060533|2.056284|1.827221|1.660170|1.660955|1.828268|4.855025|13.718104|5.468486|4.698991|4.200911|3.441144|3.142850|3.332846|4.005586|0.301834|0.300894|0.500000|
|2.561202|3.168937|3.797532|6.313717|3.817886|6.621396|5.630966|7.615884|4.324976|6.101166|8.098366|6.623242|8.907991|17.582268|13.198765|6.043236|5.747032|4.159168|3.312545|2.744198|2.654691|3.030592|3.859955|4.068954|5.786314|3.190251|2.656872|2.282482|2.007231|1.981449|2.211160|2.595202|0.068581|0.064980|0.068593|0.500000|
|3.232958|4.290214|5.248400|8.941610|4.995101|7.991999|7.346173|9.345512|4.649218|6.692440|7.681840|5.417385|8.964031|17.611453|13.507623|4.797773|4.367949|3.304707|2.834940|2.378427|2.251546|2.462996|2.983420|5.808965|7.188104|4.484125|3.483614|2.881305|2.448166|2.386254|2.695581|3.307826|0.086086|0.080820|0.083879|0.302819|0.500000|
|2.956875|3.681283|4.873889|7.592454|4.104136|6.621566|6.150058|9.452177|5.022241|7.040032|8.756094|6.618829|8.751986|17.643504|10.321757|7.183510|4.772291|3.728674|3.137544|2.636436|2.521061|2.794376|3.417028|5.758801|7.420302|3.578526|2.832349|2.449386|2.104500|2.026368|2.226512|2.646421|0.080773|0.072575|0.079300|0.299958|0.300156|0.500000|
|3.188239|4.103947|4.561383|9.535803|7.399975|17.059374|8.843007|10.920805|6.641393|9.215877|11.098117|6.648398|9.752706|6.112732|35.506517|4.443276|6.053761|4.184218|3.769491|2.960302|2.623043|2.748962|3.362481|3.853922|6.890254|3.758750|3.223670|2.616070|2.316250|2.376413|2.803533|3.387289|0.078976|0.081979|0.087838|0.151229|0.165654|0.132222|0.500000|
|2.286625|2.593220|3.218413|4.971130|3.096847|5.476371|4.657506|6.694847|5.387323|7.699647|13.158083|8.901591|5.441590|4.758748|7.401170|17.629390|6.792674|7.080208|5.911667|4.779499|4.446618|4.880819|6.118425|3.206943|5.856405|2.348846|2.009817|1.793561|1.604451|1.573834|1.712777|1.948035|0.061543|0.057127|0.065545|0.127365|0.104981|0.142445|0.105941|0.500000|
|2.299509|2.679019|3.327796|5.188717|3.146060|5.485469|4.729091|6.868589|4.691864|6.590606|10.143945|8.793242|6.468512|6.783613|8.454199|17.582365|6.822148|5.861152|4.432349|3.663149|3.608079|4.256978|5.637064|3.505465|5.684174|2.521881|2.133049|1.892714|1.682950|1.647345|1.797549|2.059401|0.062349|0.057625|0.064108|0.195675|0.136419|0.212413|0.112446|0.301551|0.500000|
|2.738224|3.189388|4.262779|6.454057|3.670007|6.123431|5.497869|9.118112|6.399083|8.764457|12.726394|8.796522|6.894254|6.482445|8.233531|17.581589|5.455279|4.720635|4.091703|3.393589|3.167941|3.429509|4.159903|4.462615|7.654167|2.860770|2.351835|2.080652|1.821589|1.761079|1.915192|2.222483|0.074487|0.066739|0.077589|0.153572|0.137461|0.224591|0.115617|0.301835|0.300550|0.500000|
|2.337904|2.756115|3.140812|5.509592|3.899199|7.976716|5.467162|7.095143|5.480326|7.659157|13.120633|8.941156|6.900282|4.874227|13.805195|5.510057|17.629459|8.904051|6.930269|4.671100|3.983741|4.270699|5.800777|2.875292|5.258839|2.545808|2.252881|1.941798|1.763795|1.796088|2.032880|2.318676|0.060149|0.060382|0.066108|0.139060|0.115320|0.115391|0.204150|0.142007|0.139323|0.123734|0.500000|
|2.179210|2.573027|2.980448|5.025514|3.350023|6.384598|4.863522|6.425165|4.487578|6.302540|10.176312|8.960915|6.960497|5.912111|12.243736|6.624693|17.566335|8.910438|5.608197|4.197585|3.986873|4.779942|7.306004|2.906188|4.918249|2.456424|2.151652|1.874403|1.696319|1.709007|1.910593|2.175444|0.057312|0.056094|0.060593|0.194268|0.130099|0.139149|0.155144|0.159964|0.195687|0.138442|0.305454|0.500000|
|2.127206|2.370260|2.701445|4.368924|3.116513|6.128914|4.623686|5.436550|4.995234|7.898671|12.636870|5.873212|4.221056|3.286959|7.187891|4.767775|6.980559|8.907198|17.729807|8.939427|5.646694|4.959332|5.659472|2.453222|4.909435|2.118186|1.899838|1.683407|1.543262|1.558353|1.724301|1.925873|0.055167|0.054814|0.062235|0.089696|0.080042|0.086569|0.115434|0.148684|0.112655|0.112048|0.200941|0.141230|0.500000|
|1.706289|1.841618|2.055995|3.137805|2.237990|4.260918|3.495086|3.683262|3.164243|5.330615|6.963837|3.590359|2.819872|2.420474|4.802550|3.431824|4.085665|5.630876|8.936446|17.713923|8.909345|5.654213|4.966385|1.928416|3.790232|1.677380|1.532101|1.390497|1.291611|1.300325|1.413124|1.545110|0.045062|0.044447|0.049834|0.067449|0.060181|0.065876|0.075536|0.111758|0.086707|0.083958|0.110385|0.096518|0.216229|0.500000|
|1.484995|1.604300|1.788313|2.683962|1.881449|3.515054|2.979172|3.113436|2.516389|4.157536|5.385025|3.063571|2.464531|2.243139|4.178973|3.145851|3.536398|4.921780|5.639355|8.901046|17.715175|8.910467|5.643029|1.736376|3.245569|1.497744|1.370779|1.255718|1.169844|1.173341|1.264949|1.375171|0.039782|0.038802|0.042697|0.064453|0.055621|0.061851|0.063603|0.102219|0.085052|0.076396|0.090670|0.090724|0.124190|0.214559|0.500000|
|1.508861|1.658312|1.864005|2.815663|1.934859|3.583706|3.044955|3.295036|2.538240|4.047033|5.443816|3.408385|2.744951|2.604759|4.625125|3.637512|4.088039|5.626129|4.957931|5.651546|8.913444|17.711707|8.919939|1.856254|3.301573|1.577917|1.432733|1.308092|1.212881|1.213636|1.310624|1.432749|0.040652|0.039336|0.042723|0.077972|0.063448|0.071826|0.067857|0.114788|0.106412|0.085238|0.098654|0.113753|0.107625|0.124145|0.214543|0.500000|
|1.776919|2.013228|2.304865|3.605405|2.423020|4.500646|3.707784|4.376873|3.238248|4.886785|7.185498|5.167678|3.983260|3.800776|6.634890|5.372071|7.005116|8.911924|5.655380|4.964927|5.652582|8.936595|17.694620|2.309567|3.964787|1.927934|1.719771|1.543005|1.414043|1.415414|1.547502|1.720645|0.047608|0.045988|0.049794|0.120461|0.088274|0.101621|0.092521|0.156063|0.171270|0.115137|0.148553|0.223748|0.124194|0.107722|0.124248|0.216155|0.500000|
|5.698232|6.599335|8.905435|7.617407|4.324456|6.100691|8.088686|6.319724|3.821077|6.616606|5.640890|3.176627|3.801443|4.069957|5.787063|3.198255|2.563196|2.227402|2.103490|1.863126|1.748709|1.815898|2.037231|17.582787|13.204134|6.054052|4.196884|3.802076|2.980193|2.633394|2.752402|3.358302|0.185431|0.124267|0.138893|0.092939|0.123382|0.124602|0.088570|0.078167|0.083628|0.104441|0.068939|0.069527|0.060946|0.049289|0.044665|0.047324|0.057341|0.500000|
|4.353267|5.406604|8.972761|9.357876|4.653754|6.697667|7.682942|8.967125|5.010472|7.999851|7.376176|4.308653|5.257207|5.805821|7.190667|4.501098|3.237745|2.748296|2.537768|2.203310|2.063318|2.169009|2.487286|17.612538|13.562748|4.794591|3.471376|3.038337|2.492494|2.300501|2.470294|2.996748|0.125598|0.098739|0.115094|0.123269|0.163906|0.197011|0.106121|0.104462|0.115225|0.158299|0.084428|0.087336|0.073022|0.057364|0.051958|0.055995|0.070256|0.302831|0.500000|
|4.745635|6.571044|8.743605|9.459967|5.019867|7.045662|8.726106|7.613083|4.111775|6.625488|6.166430|3.696277|4.888271|5.771809|7.427925|3.591301|2.965202|2.472713|2.267362|1.973188|1.858699|1.964456|2.255323|17.642997|10.328795|7.157861|4.612820|3.872176|3.039556|2.767543|3.001953|3.792442|0.135792|0.110929|0.114754|0.124776|0.197668|0.170317|0.109464|0.084272|0.096352|0.114172|0.079737|0.082465|0.065260|0.051453|0.046994|0.051108|0.064562|0.299789|0.300340|0.500000|
|6.080959|6.684725|9.755681|10.897963|6.648880|9.193751|11.167167|9.491830|7.363851|16.929706|8.816404|4.093706|4.548106|3.842159|6.876218|3.758462|3.174064|2.765594|2.762751|2.378741|2.117137|2.116350|2.374805|6.109990|35.512981|4.444889|3.509094|3.021463|2.543952|2.412793|2.637659|3.180011|0.149261|0.129713|0.203869|0.088352|0.105827|0.109037|0.115037|0.095543|0.089157|0.119930|0.088354|0.079670|0.085016|0.064123|0.053449|0.053412|0.063804|0.151206|0.165652|0.132156|0.500000|
|6.792392|8.899354|6.711191|7.041670|4.747862|6.647301|10.155919|5.303674|3.199558|5.566255|4.801080|2.724908|3.391679|3.578482|5.760335|2.568468|2.329792|1.998576|1.888987|1.672508|1.568673|1.628043|1.826396|7.130097|8.667551|17.585499|8.952953|7.335554|4.797128|4.001065|4.213111|5.631508|0.199299|0.169688|0.139418|0.085028|0.117822|0.098450|0.090456|0.063376|0.068564|0.078136|0.065032|0.064213|0.055077|0.044422|0.040182|0.042554|0.051634|0.205341|0.141407|0.223715|0.114741|0.500000|
|5.496360|8.869390|6.974456|9.233355|6.476562|8.858817|12.828452|6.506295|3.694491|6.168635|5.525061|3.205367|4.286288|4.469568|7.686481|2.873067|2.749984|2.276967|2.121815|1.843661|1.718973|1.796477|2.051736|6.512160|8.297996|17.553348|8.926518|5.783943|4.266645|3.990385|4.693874|6.993116|0.139348|0.141634|0.123652|0.104496|0.158264|0.114139|0.121123|0.069596|0.076801|0.085215|0.078130|0.076375|0.062141|0.048553|0.043601|0.046619|0.058242|0.154016|0.137915|0.224232|0.116592|0.303990|0.500000|
|5.541663|5.231752|3.931820|4.533928|3.374813|5.114722|7.404468|3.687021|2.394994|4.304821|3.705411|2.066816|2.431380|2.495940|4.275348|1.958727|1.840022|1.625103|1.563259|1.411148|1.328677|1.364790|1.501449|3.882197|6.008193|7.017442|8.909584|17.695279|8.939846|5.653579|4.965652|5.656258|0.165826|0.174040|0.118048|0.062299|0.078429|0.068427|0.068323|0.049792|0.052564|0.058340|0.051919|0.050653|0.045575|0.037943|0.034450|0.035935|0.042212|0.117044|0.088551|0.112425|0.084503|0.224104|0.147661|0.500000|
|3.636849|3.423805|2.727282|3.395071|2.639711|4.250298|5.591777|2.882432|1.933251|3.491922|3.068621|1.707163|1.957900|1.979627|3.546111|1.607892|1.568721|1.405310|1.363163|1.243881|1.174611|1.200311|1.306793|2.626789|4.360045|4.090601|5.625786|8.922211|17.713212|8.911915|5.651751|4.958371|0.101138|0.119539|0.085988|0.050882|0.061011|0.053548|0.057150|0.041498|0.043399|0.046896|0.044750|0.043297|0.039702|0.033666|0.030670|0.031745|0.036656|0.076170|0.063506|0.075772|0.064172|0.114079|0.098474|0.216251|0.500000|
|3.075940|3.058090|2.461402|3.254396|2.648577|4.453279|5.501842|2.793441|1.891970|3.404386|3.035805|1.687419|1.932702|1.915701|3.625523|1.556003|1.585080|1.416534|1.378141|1.255125|1.181034|1.204070|1.311750|2.294986|3.923336|3.536071|4.921969|5.643947|8.910090|17.716024|8.903126|5.640015|0.080341|0.100333|0.075815|0.049921|0.058833|0.050654|0.059276|0.040295|0.042013|0.044573|0.045987|0.043789|0.040303|0.034026|0.030818|0.031778|0.036712|0.063841|0.056561|0.066558|0.059483|0.091001|0.090797|0.124268|0.214503|0.500000|
|3.297281|3.559158|2.831085|3.972689|3.429921|5.965184|7.049815|3.363072|2.255674|4.013301|3.604831|2.005608|2.347712|2.272508|4.591407|1.792651|1.899927|1.664805|1.613546|1.447782|1.350278|1.378899|1.520268|2.540834|4.384160|4.082630|5.632042|4.967218|5.654208|8.910125|17.715843|8.937632|0.081762|0.104816|0.082157|0.059169|0.070474|0.058383|0.076766|0.046075|0.048194|0.050731|0.056249|0.052431|0.047581|0.039081|0.034939|0.036103|0.042488|0.067840|0.062645|0.074410|0.067725|0.096828|0.110994|0.107737|0.124140|0.214568|0.500000|
|4.518069|5.747640|4.258197|6.282570|5.831907|9.532109|12.496922|4.896113|3.108843|5.417574|4.786523|2.674349|3.334185|3.173907|6.638599|2.323049|2.452257|2.070043|1.978867|1.732452|1.600422|1.646091|1.853751|3.615097|6.067659|6.955100|8.900605|5.657777|4.959846|5.650400|8.950578|17.731664|0.106432|0.135977|0.108655|0.079697|0.102265|0.079409|0.113246|0.058315|0.061786|0.066225|0.072939|0.067350|0.058827|0.046261|0.040855|0.042646|0.051892|0.091994|0.086169|0.107934|0.093106|0.141525|0.203587|0.124144|0.107635|0.124275|0.216628|0.500000|
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