Version2.0
2020-01-14T01:45:44Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
13-Sep-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCc1cc2c(cc1OC[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)oc(c(c2=O)c4ccc5c(c4)OCO5)C C04257519
RHF
6-31G(d)
(6D,7F)
CCc1cc2c(cc1OC[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)oc(c(c2=O)c4ccc5c(c4)OCO5)C
C01[X(C26H28O10)]
186
C1
596
OC[C@@H]1O[C@@H](COc2cc3oc(C)c(c(=O)c3cc2CC)c2ccc3c(c2)OCO3)[C@@H]([C@@H]([C@@H]1O)O)O
OC[C@@H]1O[C@@H](COc2cc3oc(C)c(c(=O)c3cc2CC)c2ccc3c(c2)OCO3)[C@@H]([C@@H]([C@@H]1O)O)O
CCc1cc2C(=O)C(=C(C)Oc2cc1OC[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c4ccc5OCOc5c4
InChIKey=MWGRIADLQFQIMZ-QFMIYWLSSA-N
InChI=1S/C26H28O10/c1-3-13-6-15-18(8-17(13)32-10-21-25(30)26(31)24(29)20(9-27)36-21)35-12(2)22(23(15)28)14-4-5-16-19(7-14)34-11-33-16/h4-8,20-21,24-27,29-31H,3,9-11H2,1-2H3/t20-,21-,24+,25-,26+/m0/s1
InChI=1/C26H28O10/c1-3-13-6-15-18(8-17(13)32-10-21-25(30)26(31)24(29)20(9-27)36-21)35-12(2)22(23(15)28)14-4-5-16-19(7-14)34-11-33-16/h4-8,20-21,24-27,29-31H,3,9-11H2,1-2H3/t20-,21-,24+,25-,26+/m0/s1
CCc1cc2c(cc1OC[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)oc(c(c2=O)c4ccc5c(c4)OCO5)C
C01[X(C26H28O10)]
186
C01
596
OC[C@@H]1O[C@@H](COc2cc3oc(C)c(c(=O)c3cc2CC)c2ccc3c(c2)OCO3)[C@@H]([C@@H]([C@@H]1O)O)O
OC[C@@H]1O[C@@H](COc2cc3oc(C)c(c(=O)c3cc2CC)c2ccc3c(c2)OCO3)[C@@H]([C@@H]([C@@H]1O)O)O
CCc1cc2C(=O)C(=C(C)Oc2cc1OC[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c4ccc5OCOc5c4
InChIKey=MWGRIADLQFQIMZ-QFMIYWLSSA-N
InChI=1S/C26H28O10/c1-3-13-6-15-18(8-17(13)32-10-21-25(30)26(31)24(29)20(9-27)36-21)35-12(2)22(23(15)28)14-4-5-16-19(7-14)34-11-33-16/h4-8,20-21,24-27,29-31H,3,9-11H2,1-2H3/t20-,21-,24+,25-,26+/m0/s1
InChI=1/C26H28O10/c1-3-13-6-15-18(8-17(13)32-10-21-25(30)26(31)24(29)20(9-27)36-21)35-12(2)22(23(15)28)14-4-5-16-19(7-14)34-11-33-16/h4-8,20-21,24-27,29-31H,3,9-11H2,1-2H3/t20-,21-,24+,25-,26+/m0/s1
3817.1539363841
-1749.4447768
1-A
31006.3420
132
464
596
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10.74106
-3.1775 -4.5147 2.3221
5.9893
|XX|YY|ZZ|XY|XZ|YZ|
-190.6666 -214.1054 -207.3695 -2.9177 -11.7320 -0.3194
|XX|YY|ZZ|XY|XZ|YZ|
13.3806 -10.0582 -3.3223 -2.9177 -11.7320 -0.3194
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-180.9345 -10.3227 21.5887 13.0592 -12.3459 195.2485 -51.8522 -18.2911 -35.7690 21.9482
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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|
12.6158 18.6852 26.6348 30.6272 36.6909 50.0722 54.3710 64.7848 81.4514 86.7382 106.3888 120.5496 131.2076 140.2559 143.6201 149.4255 157.6157 162.0677 167.1224 186.7001 209.0735 228.6942 233.7407 247.6391 265.6838 274.5192 279.3107 283.8485 294.2466 300.3594 310.7081 330.6683 337.8451 352.9787 359.6298 381.0052 394.0202 407.3508 421.3618 435.3686 460.6793 468.8591 478.1108 485.9646 502.7753 523.4881 538.8721 540.8330 570.6717 577.6918 595.0886 598.2867 610.5782 634.9549 647.8606 662.8361 690.8819 732.2900 744.6510 750.7875 756.8513 791.0914 805.0264 808.4451 818.8029 822.4444 850.8847 855.3148 867.6898 886.1190 897.3321 900.8913 917.7260 936.9492 945.5147 968.6534 981.7898 986.0068 1008.9890 1030.7590 1042.4622 1055.8800 1061.9996 1069.4865 1078.3913 1114.8162 1133.6961 1134.2354 1165.3222 1167.2477 1170.1731 1173.6613 1183.6991 1189.4971 1197.0652 1207.5922 1217.2956 1219.9140 1229.7190 1237.9212 1244.3006 1259.4176 1261.9264 1267.4796 1272.6611 1298.0902 1301.9043 1315.9103 1331.1556 1332.3364 1336.8553 1352.5616 1359.1612 1364.0953 1375.5539 1386.5171 1391.7698 1406.2096 1416.6544 1417.7698 1441.2927 1448.0624 1459.1480 1479.8281 1495.7714 1497.6307 1509.2532 1511.0566 1517.5492 1531.3640 1539.5966 1560.5017 1562.9521 1575.0165 1575.0318 1581.9811 1582.9914 1593.3802 1598.6582 1603.5325 1608.8978 1621.0852 1623.5994 1625.6910 1637.4549 1645.1657 1658.8127 1661.7207 1666.4755 1675.6815 1679.4182 1712.4960 1773.9948 1812.5637 1820.3530 1829.7661 1844.0888 1940.5812 3173.2122 3182.9019 3197.4725 3205.3026 3215.8217 3218.8552 3220.0363 3225.1521 3235.8348 3245.7451 3257.6005 3261.2478 3266.8156 3272.8007 3274.5279 3293.6610 3303.5374 3335.2241 3355.9808 3373.9798 3396.7612 3402.2602 3411.2889 3426.4931 4065.1858 4094.6469 4108.1300 4124.7086
6.7499 5.4516 5.7566 5.6534 6.8743 5.1341 5.1722 4.4320 3.7313 4.1707 2.6856 4.1899 2.5254 6.4003 4.8566 2.6612 4.2445 3.6607 2.0539 5.0938 3.0170 2.3210 3.6127 3.6234 2.2895 3.3836 3.1397 2.4845 2.9814 4.4742 3.0777 3.3397 2.8891 2.9447 1.5084 4.1360 7.2825 4.0214 6.1221 6.2032 5.2754 1.2801 3.1665 3.7990 5.0650 5.0695 3.7778 3.8415 4.3700 8.9750 1.2908 2.4569 5.1286 4.9250 4.0590 3.2744 4.9615 5.4805 5.7187 6.2786 5.7059 5.6202 5.2775 5.0881 4.3865 3.6446 3.6324 1.2895 4.5234 5.8630 2.7507 6.5981 3.6987 1.6315 1.7320 4.6191 2.4887 1.7643 2.6255 2.2303 2.2793 1.3655 1.9553 1.4006 2.5684 2.8935 2.0559 7.0193 4.1407 1.8103 2.8088 1.5604 3.9635 1.8186 2.5762 2.5753 3.0755 1.8149 2.5152 3.8745 2.4190 2.4050 1.7651 3.1332 3.4063 3.1191 3.3867 2.4542 1.3672 2.8726 1.6396 1.5723 1.3443 2.4439 1.5215 1.3303 1.2619 1.6018 1.3446 1.5479 1.2380 1.3745 3.4207 3.5287 1.5396 1.5191 1.4024 2.8088 1.3129 1.5158 1.2376 1.2485 1.3652 1.2972 1.5563 1.4554 1.5618 1.4504 2.4991 1.5759 1.7210 2.3884 1.2679 1.1510 1.1374 1.0702 1.1146 1.9448 1.0973 3.2571 1.3640 1.1368 9.2019 7.2999 6.5467 7.1591 9.0535 12.8710 1.0842 1.0835 1.0849 1.0390 1.0603 1.0623 1.0421 1.0645 1.0841 1.0645 1.1032 1.1067 1.1065 1.0993 1.1013 1.1025 1.0891 1.1080 1.0992 1.0907 1.0922 1.0956 1.0942 1.0922 1.0659 1.0662 1.0659 1.0674
0.0006 0.0011 0.0024 0.0031 0.0055 0.0076 0.0090 0.0110 0.0146 0.0185 0.0179 0.0359 0.0256 0.0742 0.0590 0.0350 0.0621 0.0567 0.0338 0.1046 0.0777 0.0715 0.1163 0.1309 0.0952 0.1502 0.1443 0.1179 0.1521 0.2378 0.1751 0.2151 0.1943 0.2162 0.1149 0.3537 0.6661 0.3932 0.6404 0.6928 0.6596 0.1658 0.4265 0.5286 0.7544 0.8185 0.6463 0.6620 0.8385 1.7647 0.2693 0.5182 1.1265 1.1699 1.0038 0.8476 1.3953 1.7316 1.8683 2.0852 1.9257 2.0723 2.0151 1.9593 1.7327 1.4525 1.5495 0.5558 2.0065 2.7124 1.3050 3.1551 1.8354 0.8438 0.9123 2.5535 1.4134 1.0106 1.5748 1.3962 1.4594 0.8970 1.2993 0.9439 1.7598 2.1188 1.5568 5.3204 3.3130 1.4532 2.2661 1.2664 3.2720 1.5160 2.1750 2.2127 2.6851 1.5913 2.2409 3.4982 2.2067 2.2475 1.6561 2.9656 3.2506 3.0966 3.3821 2.5039 1.4274 3.0044 1.7265 1.6948 1.4631 2.6793 1.6962 1.5067 1.4402 1.8662 1.5899 1.8332 1.5152 1.6981 4.2910 4.5529 2.0295 2.0075 1.8821 3.7786 1.7814 2.0943 1.7285 1.7913 1.9649 1.8959 2.2747 2.1460 2.3059 2.1695 3.7631 2.3874 2.6247 3.6980 1.9692 1.7923 1.7969 1.7067 1.8071 3.1640 1.7954 5.3884 2.2667 1.9642 17.0620 14.1303 12.7815 14.1221 18.1397 28.5578 6.4323 6.4672 6.5352 6.2890 6.4605 6.4847 6.3659 6.5237 6.6878 6.6071 6.8979 6.9349 6.9576 6.9377 6.9575 7.0469 7.0029 7.2620 7.2938 7.3153 7.4245 7.4718 7.5019 7.5553 10.3779 10.5318 10.5992 10.6997
0.0639 0.0348 0.1846 0.3392 0.6446 0.2217 0.8857 2.1421 2.4031 0.1188 3.9841 9.7276 1.0626 1.9775 5.2317 0.3883 0.6998 1.2672 0.7130 1.9572 1.7264 4.7986 0.7056 1.4391 32.1035 3.6210 24.4766 41.5352 26.0276 4.3263 12.8798 12.7203 30.1883 44.9756 138.0696 26.7147 1.1199 0.2269 3.5557 10.8356 13.5519 188.7513 1.9759 21.4299 11.0524 0.3298 2.7069 8.4319 15.7516 8.2834 26.2651 23.5665 30.4849 1.6474 17.0672 42.8334 5.5081 12.5449 7.0441 0.7370 13.5827 9.5364 11.8965 7.2099 9.2882 16.3739 9.0095 0.5029 35.9391 9.6406 24.2684 25.6033 17.0154 35.7395 45.6238 80.4068 7.0269 7.2096 17.6841 20.0303 24.4869 2.2055 20.8656 8.8240 9.5701 16.5051 15.7895 71.7271 121.0684 16.0998 22.8791 0.3085 89.8814 4.5980 58.9446 69.1910 15.0807 27.3795 30.7130 331.6847 67.3590 74.0369 51.7831 106.1819 24.8911 172.9646 26.8505 69.5502 67.3128 25.7018 11.2544 52.1043 16.4733 296.8357 53.9254 12.3121 42.9910 45.7181 57.0771 138.2152 13.9795 60.9552 484.3511 56.6252 64.6169 3.4635 18.5703 111.1049 18.3419 19.9968 24.9357 1.7788 13.7125 19.5917 76.8025 4.6659 24.6720 131.6293 107.5422 2.7627 1.1160 133.4166 42.1887 33.4686 34.5348 9.2438 6.5677 308.1479 2.4446 328.7853 10.0626 0.3859 33.6811 4.4151 361.2368 14.2237 187.0509 405.3800 47.1241 32.0930 31.3671 43.8547 74.4244 12.8280 20.9350 31.5338 70.1453 140.6149 14.1727 17.2663 75.1102 55.2533 13.8833 45.0095 27.8407 65.6929 11.4175 10.2532 2.2349 9.2320 1.3563 4.8647 111.6703 67.7436 73.7325 74.3677
0.8699 0.5340 2.5587 3.3028 1.3090 0.4313 2.8276 0.4904 0.2062 0.1893 0.3481 0.1470 0.3965 0.4368 0.1190 1.2279 1.4898 0.3786 0.8733 0.4927 0.4440 0.2882 1.1593 0.3600 1.2069 0.8195 1.4104 1.2333 0.3809 0.6801 0.7698 0.3168 1.1850 4.3962 3.8059 0.3438 2.4083 1.5390 3.8112 2.3501 1.4909 2.9362 0.5726 1.2187 0.8470 0.0653 0.7353 3.2394 0.8896 14.0475 1.0571 1.4176 1.5521 5.2390 0.8516 2.0569 1.1955 6.5011 4.1560 3.1221 13.7257 1.3949 2.6134 6.4933 0.8175 0.7976 5.0161 1.0669 8.1772 7.1984 8.1037 22.5291 5.2620 1.7660 2.3129 0.7186 1.5454 3.6473 4.5889 2.3133 5.4248 1.9904 5.8685 1.8259 4.9454 3.8010 3.6891 0.5922 8.8359 1.2805 3.9004 2.1742 2.2405 7.3051 1.4935 7.5280 4.9707 3.2599 3.2026 5.1558 4.3220 7.8950 1.9507 4.2681 8.5988 7.2101 9.6432 5.8055 2.5968 3.7769 5.4530 5.3349 1.2593 16.2974 7.1592 1.2603 5.1801 50.5068 1.9879 7.4385 14.4035 1.4281 6.6006 138.7460 6.8911 10.3964 11.0523 4.1469 3.9405 2.6177 9.3493 3.3490 1.6207 1.3144 7.8934 3.5630 3.6674 2.5002 28.9287 2.2663 1.6160 18.6275 25.0581 16.4576 24.5721 20.2600 2.6509 24.9835 12.6025 1.7099 5.6469 26.6423 26.2427 3.7799 88.0526 35.4756 143.2917 83.4339 50.5649 62.0518 42.1933 110.6826 101.8049 17.0904 168.3805 121.2481 114.8412 184.9985 103.3487 38.5757 78.1330 95.7438 91.9802 32.3494 59.4116 161.1433 57.9166 44.0983 40.3958 127.8442 68.5644 68.5565 40.5880 40.5427 89.0918 82.7047
0.7356 0.7301 0.7386 0.7441 0.7430 0.7466 0.7020 0.7456 0.6191 0.7408 0.5019 0.2859 0.6992 0.2993 0.4781 0.2408 0.5719 0.5857 0.5746 0.2262 0.7402 0.7233 0.5298 0.3234 0.5274 0.6256 0.6350 0.5141 0.7088 0.4761 0.2970 0.7393 0.7347 0.3323 0.5890 0.1052 0.7388 0.4373 0.6686 0.3133 0.1940 0.5353 0.4715 0.7368 0.6024 0.5181 0.4809 0.7423 0.3829 0.1276 0.6791 0.7392 0.6996 0.7499 0.7484 0.4993 0.7325 0.0923 0.6791 0.1190 0.1294 0.4744 0.3660 0.1110 0.5954 0.4682 0.1856 0.4737 0.0427 0.2740 0.1216 0.1691 0.3456 0.5774 0.7492 0.3135 0.6656 0.6265 0.2691 0.5487 0.5791 0.7482 0.6237 0.4128 0.1561 0.6771 0.7498 0.5397 0.3298 0.3866 0.6025 0.7499 0.2250 0.0242 0.3919 0.7330 0.4998 0.1134 0.4517 0.3744 0.4109 0.5068 0.6404 0.7461 0.6173 0.2237 0.1420 0.7491 0.3172 0.5396 0.7359 0.6035 0.5683 0.3585 0.3074 0.5092 0.7333 0.3684 0.6787 0.6648 0.7500 0.6882 0.2687 0.2310 0.7142 0.3488 0.6513 0.4197 0.7220 0.7484 0.7443 0.4496 0.7242 0.7491 0.6593 0.7400 0.7296 0.7301 0.6491 0.6907 0.6539 0.4343 0.5095 0.7187 0.7495 0.7451 0.6301 0.2968 0.7032 0.6141 0.5986 0.4865 0.7004 0.5816 0.6370 0.5897 0.1848 0.1497 0.3774 0.7391 0.1899 0.0942 0.0761 0.3931 0.0542 0.0999 0.0744 0.1635 0.7434 0.6746 0.4740 0.6191 0.7183 0.6292 0.1944 0.5017 0.6377 0.5621 0.2743 0.2338 0.2912 0.2326 0.2370 0.2663 0.2991 0.2986
0.8477 0.8440 0.8497 0.8533 0.8526 0.8549 0.8249 0.8543 0.7647 0.8511 0.6684 0.4447 0.8230 0.4607 0.6469 0.3881 0.7277 0.7388 0.7298 0.3689 0.8507 0.8394 0.6926 0.4888 0.6906 0.7697 0.7768 0.6791 0.8296 0.6451 0.4580 0.8501 0.8471 0.4988 0.7413 0.1903 0.8498 0.6085 0.8014 0.4771 0.3250 0.6973 0.6408 0.8485 0.7519 0.6826 0.6495 0.8521 0.5538 0.2262 0.8089 0.8501 0.8233 0.8570 0.8561 0.6660 0.8456 0.1691 0.8089 0.2126 0.2291 0.6435 0.5359 0.1998 0.7464 0.6378 0.3131 0.6429 0.0820 0.4302 0.2168 0.2893 0.5137 0.7321 0.8566 0.4773 0.7992 0.7704 0.4241 0.7086 0.7334 0.8560 0.7682 0.5843 0.2701 0.8075 0.8570 0.7010 0.4960 0.5576 0.7520 0.8571 0.3673 0.0472 0.5631 0.8459 0.6664 0.2036 0.6223 0.5448 0.5825 0.6727 0.7808 0.8546 0.7634 0.3656 0.2486 0.8566 0.4817 0.7009 0.8479 0.7527 0.7248 0.5278 0.4702 0.6748 0.8461 0.5385 0.8086 0.7986 0.8571 0.8153 0.4235 0.3753 0.8333 0.5172 0.7888 0.5912 0.8386 0.8561 0.8534 0.6203 0.8400 0.8565 0.7947 0.8506 0.8437 0.8440 0.7872 0.8170 0.7907 0.6056 0.6751 0.8363 0.8568 0.8539 0.7731 0.4577 0.8257 0.7609 0.7489 0.6546 0.8238 0.7355 0.7783 0.7419 0.3120 0.2604 0.5480 0.8500 0.3191 0.1722 0.1415 0.5644 0.1028 0.1816 0.1385 0.2811 0.8528 0.8057 0.6431 0.7647 0.8360 0.7724 0.3255 0.6682 0.7788 0.7197 0.4305 0.3790 0.4511 0.3775 0.3832 0.4206 0.4605 0.4599
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 61 62 63 64
6 6 6 6 6 6 6 6 8 6 6 1 6 1 6 1 6 1 6 1 8 6 8 8 8 8 8 6 6 6 8 6 6 6 6 6 6 8 6 8 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 15.99491 12.00000 15.99491 15.99491 15.99491 15.99491 15.99491 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 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
6183.7687 52809.6413 55770.6835
1.00000 -0.00226 -0.00161 0.00225 0.99999 -0.00341 0.00162 0.00340 0.99999
1
0.01401 0.00164 0.00155
0.29185 0.03417 0.03236
18.15 26.88 38.32 44.07 52.79 72.04 78.23 93.21 117.19 124.80 153.07 173.44 188.78 201.80 206.64 214.99 226.77 233.18 240.45 268.62 300.81 329.04 336.30 356.30 382.26 394.97 401.87 408.39 423.36 432.15 447.04 475.76 486.08 507.86 517.43 548.18 566.91 586.09 606.25 626.40 662.81 674.58 687.89 699.19 723.38 753.18 775.32 778.14 821.07 831.17 856.20 860.80 878.49 913.56 932.13 953.67 994.02 1053.60 1071.39 1080.22 1088.94 1138.20 1158.25 1163.17 1178.07 1183.31 1224.23 1230.61 1248.41 1274.93 1291.06 1296.18 1320.40 1348.06 1360.38 1393.68 1412.58 1418.64 1451.71 1483.03 1499.87 1519.18 1527.98 1538.75 1551.56 1603.97 1631.14 1631.91 1676.64 1679.41 1683.62 1688.64 1703.08 1711.42 1722.31 1737.46 1751.42 1755.18 1769.29 1781.09 1790.27 1812.02 1815.63 1823.62 1831.08 1867.66 1873.15 1893.30 1915.24 1916.93 1923.44 1946.03 1955.53 1962.63 1979.12 1994.89 2002.45 2023.22 2038.25 2039.85 2073.70 2083.44 2099.39 2129.14 2152.08 2154.76 2171.48 2174.07 2183.41 2203.29 2215.14 2245.21 2248.74 2266.10 2266.12 2276.12 2277.57 2292.52 2300.11 2307.13 2314.85 2332.38 2336.00 2339.01 2355.93 2367.03 2386.66 2390.85 2397.69 2410.93 2416.31 2463.90 2552.38 2607.87 2619.08 2632.63 2653.23 2792.06 4565.54 4579.49 4600.45 4611.72 4626.85 4631.21 4632.91 4640.27 4655.64 4669.90 4686.96 4692.21 4700.22 4708.83 4711.32 4738.84 4753.05 4798.64 4828.51 4854.40 4887.18 4895.09 4908.08 4929.96 5848.90 5891.28 5910.68 5934.54
0.556600
0.587814
0.588758
0.491275
-1748.888177
-1748.856963
-1748.856019
-1748.953502
3.269596D-04
MUNgauss
RevisionA2.0
retrievium
14-Jan-2020
DUDE CCc1cc2c(cc1OC[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)oc(c(c2=O)c4ccc5c(c4)OCO5)C C04257519
RHF
6-31G(d)
(6D,10F)
C1
500.168247
|X|Y|Z|
52.286362 32.579673 164.957642
65.499179
27
|36.858105|
|12.426595|36.858105|
|7.504157|12.585023|36.858105|
|5.579760|7.572196|13.914947|36.858105|
|4.105494|4.984303|7.838551|13.576298|36.858105|
|3.752363|4.432794|6.842616|8.003952|13.873264|36.858105|
|4.180581|4.986353|7.821470|6.884401|7.881409|13.676071|36.858105|
|5.714910|7.472804|13.449831|7.993823|6.851515|7.987990|13.823556|36.858105|
|5.702501|6.863535|8.153633|5.322362|4.620041|5.232067|7.955824|14.167045|73.516695|
|4.113840|4.568723|5.229499|4.000886|3.795186|4.538722|6.787796|7.998541|24.162660|36.858105|
|3.761954|4.000484|4.074261|3.207272|2.977792|3.352699|4.428516|5.222970|14.295405|12.485988|36.858105|
|3.752529|4.171038|4.089678|3.205558|2.920947|3.207910|4.123727|4.989276|13.174364|8.996404|17.635604|0.500000|
|2.900712|3.037421|3.141784|2.625866|2.529185|2.873247|3.629462|3.891773|9.058133|7.516357|12.448668|0.249443|36.858105|
|2.700401|2.899560|3.095637|2.634167|2.594586|3.007446|3.803402|3.893318|8.623623|7.292963|8.860665|0.205450|17.484112|0.500000|
|2.695403|2.704559|2.813832|2.407103|2.352608|2.676940|3.305357|3.431548|7.568544|5.862397|7.489670|0.154158|12.407838|0.248385|36.858105|
|2.715655|2.731807|2.936083|2.534998|2.527394|2.946116|3.680416|3.672267|7.862681|6.271835|6.630652|0.136884|8.914064|0.226189|17.551928|0.500000|
|2.887163|2.764317|2.781573|2.366143|2.266572|2.513197|3.050016|3.278158|7.251535|5.049192|6.501785|0.138314|7.430777|0.152951|12.449314|0.248987|36.858105|
|2.686592|2.536091|2.582446|2.241895|2.175699|2.414602|2.875952|3.012524|6.373962|4.299088|4.941924|0.109734|5.497478|0.125580|8.926840|0.226905|17.500051|0.500000|
|3.740297|3.465894|3.414562|2.797288|2.604066|2.857048|3.546465|4.041187|9.478896|6.201723|7.939904|0.162296|6.576504|0.138724|7.590812|0.187601|12.469527|0.247486|36.858105|
|3.953388|3.635205|3.740584|3.066415|2.891101|3.231789|4.085731|4.574667|10.463089|6.838391|7.061107|0.144381|5.781312|0.132430|6.791610|0.197291|8.943879|0.224504|17.498126|0.500000|
|4.166203|4.065890|3.885434|3.059589|2.777518|3.024279|3.835957|4.636462|12.086419|7.798251|13.588704|0.267484|7.862524|0.158673|6.709363|0.160602|7.839543|0.158570|13.590200|0.258272|73.516695|
|3.821929|3.315351|3.106699|2.589734|2.370431|2.510500|2.981310|3.426599|7.548010|4.376666|5.210274|0.123271|4.451575|0.100505|4.908794|0.124355|7.465129|0.183970|12.534200|0.249564|14.554930|36.858105|
|5.025223|3.989590|3.571268|2.928135|2.599083|2.682987|3.154934|3.769282|8.151277|4.269937|4.702125|0.116720|3.766923|0.088766|3.877315|0.102827|5.049030|0.129055|7.918034|0.202566|12.313747|13.669704|73.516695|
|2.590517|2.484942|2.434033|2.093326|1.991032|2.164357|2.560372|2.769213|6.010980|3.970462|5.266047|0.124625|6.176023|0.130113|8.065843|0.161899|13.534598|0.258895|7.747216|0.157765|11.263036|6.491079|7.940932|73.516695|
|2.254556|2.268467|2.347817|2.061846|2.036096|2.293761|2.730807|2.775626|5.832492|4.212072|5.072641|0.118147|7.929363|0.195236|13.611633|0.263633|7.900996|0.193337|5.092715|0.128709|8.277659|3.857917|5.541894|12.789202|73.516695|
|2.637219|2.753846|2.743892|2.323852|2.213300|2.442617|2.965219|3.219856|7.238935|5.178214|8.101055|0.219683|13.661485|0.259980|7.845287|0.159212|6.084744|0.128066|5.305245|0.123464|11.533458|4.062714|6.113258|11.273159|12.292051|73.516695|
|2.987361|3.374571|4.610493|5.243234|8.018770|14.125263|8.166008|5.303199|7.165196|3.818378|2.926139|0.077248|2.633158|0.077912|2.506149|0.077573|2.320794|0.062885|2.548249|0.079731|4.683429|2.241413|4.163115|3.569264|3.906493|3.997928|73.516695|
|2.641970|2.941164|3.817710|4.575575|6.896413|8.112551|5.306732|4.026721|5.688283|3.015884|2.431536|0.065062|2.220159|0.065181|2.130410|0.064996|1.999311|0.054558|2.173935|0.067004|3.972203|1.959500|3.652827|3.130159|3.387912|3.453790|25.089780|36.858105|
|2.707988|3.027658|3.877649|5.010819|7.667299|6.858189|4.571810|3.781608|5.327292|2.732642|2.252964|0.061108|2.033220|0.058869|1.941618|0.058294|1.853044|0.050423|2.035189|0.062116|3.743562|1.871107|3.541965|2.934712|3.093459|3.213439|14.315669|14.224068|36.858105|
|3.292901|3.788400|5.040052|7.575807|12.956306|7.738941|5.071456|4.481766|6.054487|2.949818|2.424422|0.066379|2.127193|0.060761|2.007412|0.059645|1.941092|0.052340|2.180758|0.066441|4.069613|2.022588|3.910738|3.077165|3.158396|3.371477|12.031639|7.813634|12.867364|36.858105|
|3.213625|3.645450|4.499105|6.645600|8.120670|5.346303|4.003782|3.802235|5.358686|2.599045|2.201825|0.060878|1.934655|0.054744|1.827878|0.053672|1.789059|0.048250|2.011011|0.060544|3.756440|1.901244|3.708339|2.871167|2.895853|3.114355|8.432541|5.382185|8.075619|15.852864|73.516695|
|2.298216|2.516694|3.038635|3.769499|4.943661|4.460335|3.366045|2.928037|4.322823|2.251067|1.915384|0.052241|1.756096|0.050697|1.688825|0.050292|1.620741|0.044327|1.758506|0.053054|3.215408|1.639343|3.090523|2.600277|2.732220|2.818752|9.046596|7.662343|12.753680|7.480644|11.899940|36.858105|
|2.040838|2.251455|2.660948|3.186195|3.977966|3.735418|2.957038|2.595577|3.919865|2.073098|1.787263|0.049131|1.659251|0.048246|1.587055|0.047021|1.510858|0.041213|1.620097|0.048370|2.977462|1.507431|2.815078|2.444359|2.595030|2.686640|7.610438|5.974210|7.619072|5.344803|8.872062|13.772408|36.858105|
|1.804962|1.961378|2.251288|2.634841|3.123777|2.939917|2.431924|2.186969|3.379712|1.799143|1.579836|0.043509|1.479037|0.042823|1.422833|0.041920|1.361956|0.037279|1.450920|0.043038|2.654170|1.362672|2.538897|2.221783|2.347622|2.418343|5.825479|4.219278|5.010257|3.984784|7.048464|7.820709|13.593818|36.858105|
|1.771234|1.891711|2.146183|2.511921|2.924618|2.714127|2.266048|2.064609|3.206367|1.699712|1.501363|0.041200|1.403134|0.040304|1.360771|0.040050|1.315587|0.036179|1.405054|0.041732|2.551896|1.332002|2.492935|2.148502|2.244932|2.298018|5.276260|3.739457|4.490552|3.735940|6.863452|6.930733|8.092102|13.970124|36.858105|
|1.931656|2.040930|2.329807|2.769970|3.250686|2.955839|2.433735|2.219654|3.414404|1.792720|1.574124|0.042963|1.459411|0.041674|1.422440|0.041986|1.385486|0.038210|1.491771|0.044606|2.695762|1.419839|2.677345|2.250971|2.330561|2.377827|5.687109|4.062513|5.098603|4.286471|8.025018|8.053135|6.999297|7.941949|13.777569|36.858105|
|2.216241|2.357852|2.768455|3.394040|4.180471|3.714721|2.930230|2.627847|3.946893|2.050312|1.769749|0.048103|1.624021|0.046392|1.579493|0.046890|1.536742|0.042312|1.669888|0.050376|3.021928|1.579429|2.994458|2.474164|2.561890|2.620386|7.193523|5.418330|7.604416|5.976320|10.820389|13.541930|7.888799|6.736958|7.922364|13.981046|36.858105|
|1.796530|1.864873|2.083955|2.430921|2.753325|2.518916|2.135054|1.980631|3.094630|1.629062|1.447955|0.039480|1.347113|0.038241|1.321824|0.038875|1.297828|0.035940|1.394318|0.041562|2.504162|1.340325|2.529311|2.118865|2.174887|2.206895|4.755574|3.231429|3.846203|3.449813|6.570442|5.182957|4.688243|5.402687|8.539098|14.017000|7.762176|73.516695|
|1.614245|1.682732|1.857693|2.134882|2.380921|2.202565|1.898891|1.772547|2.802141|1.485024|1.332549|0.036513|1.248092|0.035498|1.221633|0.035764|1.196274|0.033076|1.276554|0.037775|2.299576|1.228154|2.305445|1.966387|2.024101|2.059116|4.152463|2.773079|3.210264|2.904931|5.514541|4.216553|4.232634|5.368650|8.615411|8.612792|5.371807|24.081998|36.858105|
|1.595474|1.685771|1.876482|2.155477|2.437383|2.279674|1.954627|1.805916|2.848917|1.517915|1.357724|0.037296|1.276334|0.036542|1.242927|0.036426|1.206730|0.033266|1.282515|0.037901|2.321420|1.224187|2.286065|1.983088|2.063577|2.104697|4.368550|2.966597|3.414386|2.985815|5.548942|4.660470|5.196622|7.750417|14.034329|8.534883|5.398317|14.938351|13.526790|73.516695|
|2.222791|2.420094|2.992755|3.381330|4.492311|5.274361|4.109430|3.220424|4.819137|2.664180|2.199396|0.058555|2.071497|0.061362|2.018123|0.061891|1.877276|0.051738|1.991789|0.061052|3.589855|1.794029|3.286231|2.952965|3.270517|3.237554|14.577399|12.717221|7.481756|4.914961|6.919971|6.228203|5.633514|4.236259|3.708368|3.860196|4.743264|5.549197|2.738778|5.316402|36.858105|
|17.538172|8.780919|5.479593|4.382771|3.377381|3.112451|3.425152|4.454588|8.291639|3.583864|3.476196|0.098420|2.729520|0.069937|2.534638|0.069623|2.752895|0.070890|3.521080|0.099373|7.015054|3.762939|8.910784|4.518830|3.822021|4.542627|4.555166|2.305713|2.369197|2.825820|4.993523|2.057395|1.852456|1.659571|1.632970|1.768189|1.997090|2.950590|1.505375|2.640633|1.976877|0.500000|
|17.581321|8.757618|6.816242|4.973706|3.919620|3.794542|4.436626|6.100009|11.776394|4.773687|4.357623|0.115685|3.275082|0.083078|3.093296|0.086857|3.396123|0.087528|4.649068|0.140058|9.026244|4.760323|11.856843|5.274631|4.489873|5.176281|5.419566|2.643261|2.639699|3.117291|5.267816|2.228920|1.980536|1.750446|1.715750|1.869426|2.145351|3.093269|1.562378|2.749929|2.249846|0.301065|0.500000|
|17.553073|8.775627|6.771049|5.808282|4.289015|3.768972|3.974664|5.063960|8.330936|3.559881|3.199223|0.087441|2.564484|0.067233|2.435844|0.069098|2.599277|0.068677|3.269712|0.097885|6.187347|3.362405|7.670522|4.145244|3.674736|4.140699|5.374901|2.728930|2.854078|3.530254|6.256087|2.433243|2.127124|1.884468|1.870396|2.068603|2.388343|3.437202|1.720188|2.992834|2.279000|0.301439|0.302047|0.500000|
|8.848976|17.584722|8.910009|5.742091|4.219104|3.985869|4.687415|7.007578|13.562389|5.044978|4.642385|0.141984|3.397847|0.089122|2.917022|0.080198|2.960581|0.073733|3.726433|0.104874|8.277067|3.507067|7.340720|4.784501|4.323517|5.553021|5.554632|2.705207|2.728425|3.284545|5.567497|2.293775|2.092621|1.833694|1.756033|1.869645|2.133246|3.042371|1.560464|2.797361|2.274522|0.214010|0.209087|0.173129|0.500000|
|8.859137|17.555536|8.971136|7.268082|4.748879|4.001453|4.199047|5.618719|8.968432|3.691434|3.317816|0.097398|2.630005|0.070554|2.355628|0.065912|2.395916|0.061617|2.906654|0.083709|5.945326|2.829008|5.945101|3.902387|3.592836|4.331868|5.557803|2.820305|2.990884|3.813706|6.826665|2.534247|2.279513|1.998066|1.931150|2.079085|2.385979|3.382716|1.723984|3.065493|2.320889|0.211992|0.173008|0.212582|0.303890|0.500000|
|5.394745|6.994859|8.974141|17.734553|8.972487|5.704153|4.959765|5.654330|7.602602|3.331152|2.803343|0.078756|2.331407|0.064551|2.150677|0.062219|2.139075|0.056518|2.509260|0.075191|4.853253|2.385096|4.832737|3.420399|3.320211|3.745918|7.539429|3.977022|4.593594|7.071939|13.211607|3.679551|3.122032|2.632191|2.545149|2.822480|3.416566|4.447257|2.199324|3.908054|3.029906|0.122593|0.126239|0.164684|0.145609|0.219163|0.500000|
|3.558567|4.050938|5.566576|4.964496|5.656614|8.975868|17.791390|8.837575|12.526535|7.485331|4.694666|0.117117|4.032617|0.121524|3.714297|0.119256|3.288189|0.086493|3.694728|0.119397|6.952820|3.001512|5.440734|4.818941|5.424930|5.658680|13.440456|4.923648|4.036202|4.155890|5.977610|3.081728|2.768933|2.303876|2.140288|2.273646|2.692409|3.567473|1.798868|3.307035|4.133779|0.083624|0.107393|0.093533|0.110262|0.096304|0.107759|0.500000|
|3.537878|4.085568|4.818365|3.873882|3.816826|4.702745|6.973209|7.187875|16.557571|17.559622|8.927135|0.217856|6.977541|0.223195|5.220872|0.156614|4.230252|0.102432|4.715272|0.139890|10.110722|3.538423|6.118078|6.195552|7.160346|8.857365|7.226453|3.172791|2.825678|2.992858|4.637632|2.321194|2.167269|1.869575|1.744334|1.820513|2.078284|2.917753|1.503648|2.758847|2.825748|0.086809|0.108485|0.087058|0.124902|0.095431|0.089552|0.230440|0.500000|
|3.854414|4.043314|4.723402|3.794617|3.735919|4.597525|6.804366|7.030356|16.581771|17.563167|8.718676|0.173856|6.721315|0.181947|6.314451|0.212104|5.465200|0.135662|6.590471|0.231524|12.161681|4.515405|7.668474|7.172002|7.867355|8.156899|7.101058|3.120590|2.775565|2.938448|4.564739|2.282729|2.083420|1.809100|1.718882|1.824637|2.093865|2.954832|1.506904|2.729167|2.793045|0.092665|0.127063|0.095923|0.117288|0.092175|0.087937|0.227571|0.301559|0.500000|
|3.434586|3.049931|2.805932|2.359740|2.156818|2.265661|2.657727|3.043767|6.664138|3.879990|4.863497|0.121042|4.321716|0.096719|4.608630|0.111635|6.806938|0.160892|8.916435|0.175281|13.165889|17.543226|16.530638|12.853208|6.754096|7.552390|3.619917|1.797126|1.724284|1.860093|3.131331|1.524017|1.413368|1.284325|1.253727|1.328529|1.467352|2.234228|1.158816|2.056788|1.654299|0.097092|0.113414|0.083694|0.091474|0.073708|0.061054|0.074304|0.090052|0.107073|0.500000|
|3.361725|2.906903|2.783178|2.385124|2.220613|2.354602|2.743007|3.050648|6.416721|3.755311|4.225375|0.100712|3.850103|0.089754|4.498221|0.117784|6.842149|0.196887|8.865566|0.215203|10.328609|17.568562|16.940707|10.589810|6.560784|6.239656|3.800728|1.885296|1.797012|1.922420|3.217254|1.585824|1.456584|1.322925|1.299555|1.388288|1.539287|2.342396|1.206564|2.130948|1.743950|0.091481|0.113939|0.085278|0.083303|0.070135|0.061363|0.077352|0.086770|0.111771|0.300054|0.500000|
|5.889754|4.690806|4.007984|3.177395|2.755700|2.824963|3.363774|4.187628|9.440227|4.712393|5.309709|0.136140|3.994201|0.093758|3.873111|0.101621|4.790283|0.117267|7.530136|0.187297|14.393598|9.966008|35.686430|7.650495|5.495335|6.534503|4.310460|2.116646|2.060778|2.301780|3.882607|1.788268|1.632205|1.466379|1.432983|1.534683|1.720169|2.564660|1.316766|2.329080|1.886081|0.166074|0.220347|0.131222|0.140140|0.106519|0.081705|0.089282|0.104232|0.125448|0.228464|0.189929|0.500000|
|2.517584|2.366628|2.296017|1.991443|1.889515|2.032625|2.369315|2.563161|5.453883|3.466710|4.360980|0.105967|4.768878|0.106084|5.978349|0.133084|9.752535|0.238111|6.840646|0.144691|9.592534|6.845620|8.150968|35.783623|9.868595|8.663738|3.357995|1.671477|1.576973|1.655506|2.763382|1.405387|1.318712|1.203879|1.170024|1.228722|1.346839|2.066528|1.078786|1.926474|1.578498|0.069311|0.080036|0.063467|0.070415|0.058448|0.051267|0.068919|0.084666|0.098846|0.223080|0.188061|0.118347|0.500000|
|2.193427|2.181043|2.215487|1.946946|1.904209|2.112381|2.485321|2.566523|5.392577|3.742595|4.633194|0.111061|6.673428|0.156262|9.952896|0.193854|8.098095|0.196623|5.024205|0.121524|8.073078|4.000668|5.612861|16.237178|35.633160|11.936128|3.579613|1.764453|1.627911|1.671066|2.746908|1.447137|1.374941|1.250222|1.200177|1.246584|1.365054|2.077729|1.089712|1.969089|1.699114|0.058840|0.068144|0.055791|0.065107|0.054224|0.049433|0.075573|0.097903|0.107318|0.113470|0.106964|0.086351|0.189615|0.500000|
|2.344379|2.430277|2.441694|2.109795|2.035327|2.248308|2.681403|2.838064|6.144430|4.326039|5.980347|0.158810|9.939631|0.228233|7.550382|0.153651|5.661098|0.124755|4.578612|0.109290|9.060317|3.626270|5.427420|11.015533|14.529860|35.727414|3.744435|1.835152|1.702532|1.767072|2.905925|1.505200|1.441593|1.304013|1.239649|1.278710|1.402076|2.115123|1.113544|2.025396|1.742706|0.063223|0.071438|0.058391|0.075209|0.060485|0.053435|0.080648|0.118570|0.111509|0.105592|0.090145|0.088609|0.133045|0.225922|0.500000|
|2.043105|2.288762|2.722229|3.216127|4.026462|3.898972|3.103560|2.694776|4.071921|2.169062|1.863170|0.051451|1.735241|0.050895|1.644920|0.048725|1.550060|0.042073|1.655781|0.049281|3.065993|1.527475|2.836731|2.508446|2.692725|2.808166|8.056402|6.157480|7.077329|5.110301|8.157517|8.961426|17.724941|8.912830|5.724230|5.018038|5.627387|6.593153|3.453782|7.408823|5.887754|0.051534|0.055206|0.058364|0.059761|0.064143|0.086053|0.081348|0.063940|0.060090|0.039883|0.040812|0.045888|0.037412|0.039494|0.041853|0.500000|
|1.671800|1.819837|2.065886|2.374443|2.759952|2.637219|2.231795|2.019610|3.160367|1.695922|1.501845|0.041523|1.416203|0.041124|1.359310|0.039910|1.296531|0.035442|1.372279|0.040471|2.515773|1.288215|2.387706|2.126059|2.257243|2.328928|5.197540|3.621951|4.082407|3.374103|5.957420|5.585009|8.791566|17.745850|8.933969|5.639809|4.883166|7.763406|4.654616|12.148572|3.734568|0.042999|0.045095|0.048099|0.047743|0.051541|0.065810|0.059316|0.049212|0.047173|0.033888|0.034725|0.038336|0.031979|0.033419|0.034993|0.213194|0.500000|
|2.382391|2.489876|2.923804|3.607372|4.391924|3.834286|3.034903|2.747760|4.111060|2.116625|1.823378|0.049285|1.661786|0.047124|1.626208|0.048347|1.596897|0.044115|1.749154|0.053094|3.145083|1.664426|3.180978|2.560889|2.622709|2.672567|7.202790|5.158832|6.986921|6.154108|11.326169|8.786940|5.613060|4.884421|5.638034|8.954855|17.760164|12.204982|4.669090|7.771221|4.378513|0.059240|0.064099|0.072523|0.061779|0.069671|0.101405|0.076748|0.058806|0.060468|0.042709|0.045194|0.050558|0.038847|0.038883|0.039630|0.123624|0.106395|0.500000|
|1.602600|1.670870|1.824820|2.097525|2.298280|2.099329|1.822407|1.722727|2.731806|1.440045|1.299219|0.035754|1.213251|0.034406|1.183608|0.034490|1.162800|0.032069|1.243955|0.036662|2.248959|1.202484|2.265073|1.918896|1.960790|2.010778|3.886110|2.551075|2.973148|2.789481|5.430587|3.786442|3.800083|4.679027|6.730128|6.729562|4.681510|16.568865|17.583492|16.566694|2.469636|0.041737|0.042796|0.047513|0.043014|0.047964|0.060836|0.047710|0.040418|0.040371|0.031607|0.032752|0.036015|0.029277|0.029402|0.030168|0.088254|0.116247|0.116628|0.500000|
|1.507172|1.558594|1.710974|1.939428|2.149037|2.018215|1.762193|1.645929|2.624571|1.400698|1.263056|0.034520|1.189796|0.033814|1.170967|0.034287|1.148208|0.031862|1.219275|0.036052|2.185094|1.175412|2.197985|1.890538|1.948309|1.965764|3.818741|2.514975|2.825481|2.557481|4.775102|3.565985|3.576512|4.398199|6.288956|6.285124|4.400108|16.605082|17.669845|16.598241|2.536172|0.039178|0.040749|0.044519|0.040325|0.044128|0.055146|0.046764|0.039334|0.039634|0.030834|0.032208|0.034737|0.028866|0.029170|0.029620|0.083585|0.110532|0.110799|0.297098|0.500000|
|2.214127|2.365078|2.906367|3.195196|4.124124|4.999969|4.105901|3.196418|4.855634|2.732093|2.249456|0.059027|2.136611|0.063196|2.119173|0.065838|1.971048|0.054874|2.079126|0.064391|3.687952|1.864463|3.392422|3.073214|3.432771|3.309083|13.481367|9.003073|5.841095|4.275488|6.142180|4.914690|4.360945|3.516863|3.224117|3.425994|4.133246|5.127564|2.523423|4.781163|17.566210|0.054631|0.063190|0.063048|0.061878|0.062193|0.079042|0.118820|0.079673|0.081539|0.047458|0.050737|0.053615|0.045677|0.049352|0.049651|0.122819|0.087384|0.111430|0.063304|0.066046|0.500000|
|2.117900|2.333074|2.860317|3.157935|4.070249|4.857335|3.977536|3.123886|4.751033|2.674105|2.216815|0.059372|2.113319|0.063476|2.038752|0.062399|1.868457|0.051204|1.961482|0.059586|3.564759|1.752705|3.181267|2.951818|3.329041|3.310417|12.837231|8.954306|5.947599|4.278828|6.163721|5.122707|5.141408|3.963483|3.361887|3.353407|3.928443|4.901218|2.494901|4.915311|17.551007|0.052695|0.059581|0.059472|0.061898|0.062172|0.078522|0.114255|0.080614|0.076999|0.045186|0.047129|0.050932|0.043602|0.047846|0.049665|0.162907|0.101469|0.099916|0.063176|0.064458|0.302317|0.500000|
|2.050220|2.211517|2.671323|3.044404|3.922676|4.271933|3.405415|2.793103|4.240211|2.328114|1.963967|0.052600|1.855676|0.054553|1.814621|0.055125|1.704906|0.047130|1.804429|0.054893|3.244191|1.647584|3.026315|2.708255|2.966286|2.937527|10.381951|8.878947|7.009617|4.555447|6.743534|7.160271|6.742064|5.128182|4.456602|4.568191|5.488111|6.388166|3.142582|6.229591|17.676624|0.051120|0.057188|0.058874|0.057603|0.059710|0.078062|0.093719|0.067906|0.067385|0.042408|0.044677|0.048126|0.040440|0.043119|0.044071|0.182329|0.122369|0.133514|0.076904|0.080672|0.299763|0.300257|0.500000|
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