Version2.0
2020-07-27T21:56:07Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
19-Jun-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOC(=O)C(Cc1ccc(cc1)Oc2ccc(cc2)N(CCO)CCO)(C(=O)OCC)NC(=O)C C13551013
RHF
6-31G(d)
(6D,7F)
CCOC(=O)C(Cc1ccc(cc1)Oc2ccc(cc2)N(CCO)CCO)(C(=O)OCC)NC(=O)C
C01[X(C26H34N2O8)]
204
C1
608
OCCN(c1ccc(cc1)Oc1ccc(cc1)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C)CCO
OCCN(c1ccc(cc1)Oc1ccc(cc1)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C)CCO
CCOC(=O)C(Cc1ccc(Oc2ccc(cc2)N(CCO)CCO)cc1)(NC(C)=O)C(=O)OCC
InChIKey=RHNCVGAQRHVYNX-UHFFFAOYSA-N
InChI=1S/C26H34N2O8/c1-4-34-24(32)26(27-19(3)31,25(33)35-5-2)18-20-6-10-22(11-7-20)36-23-12-8-21(9-13-23)28(14-16-29)15-17-30/h6-13,29-30H,4-5,14-18H2,1-3H3,(H,27,31)
InChI=1/C26H34N2O8/c1-4-34-24(32)26(27-19(3)31,25(33)35-5-2)18-20-6-10-22(11-7-20)36-23-12-8-21(9-13-23)28(14-16-29)15-17-30/h6-13,29-30H,4-5,14-18H2,1-3H3,(H,27,31)/f/h27H
CCOC(=O)C(Cc1ccc(cc1)Oc2ccc(cc2)N(CCO)CCO)(C(=O)OCC)NC(=O)C
C01[X(C26H34N2O8)]
204
C01
608
OCCN(c1ccc(cc1)Oc1ccc(cc1)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C)CCO
OCCN([C]1[CH][CH][C]([CH][CH]1)O[C]1[CH][CH][C]([CH][CH]1)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C)CCO
CCOC(=O)C(C[C]1[CH][CH][C]([CH][CH]1)O[C]2[CH][CH][C]([CH][CH]2)N(CCO)CCO)(NC(C)=O)C(=O)OCC
InChIKey=RHNCVGAQRHVYNX-UHFFFAOYSA-N
InChI=1S/C26H34N2O8/c1-4-34-24(32)26(27-19(3)31,25(33)35-5-2)18-20-6-10-22(11-7-20)36-23-12-8-21(9-13-23)28(14-16-29)15-17-30/h6-13,29-30H,4-5,14-18H2,1-3H3,(H,27,31)
InChI=1/C26H34N2O8/c1-4-34-24(32)26(27-19(3)31,25(33)35-5-2)18-20-6-10-22(11-7-20)36-23-12-8-21(9-13-23)28(14-16-29)15-17-30/h6-13,29-30H,4-5,14-18H2,1-3H3,(H,27,31)/f/h27H
3872.2654068885
-1712.1809139
1-A
30701.6284
134
474
608
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10.93453
3.2683 -1.4095 6.0354
7.0067
|XX|YY|ZZ|XY|XZ|YZ|
-208.6129 -206.2094 -203.1939 7.1703 -25.7469 -6.7796
|XX|YY|ZZ|XY|XZ|YZ|
-2.6075 -0.2040 2.8115 7.1703 -25.7469 -6.7796
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-27.7689 5.2746 43.2140 61.8546 -71.3821 154.2965 65.4978 -3.2763 35.1806 -72.4418
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-32092.2718 -3639.4304 -2503.6157 -1225.5981 -605.9713 520.1455 -87.0423 -0.8113 -1.6736 -5836.6008 -5700.8108 -1007.0993 -454.6179 -148.0491 23.5728
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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 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204
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6.3859 11.4160 14.6890 21.3754 27.3639 35.3485 43.0945 46.3203 51.3003 54.8869 66.2147 74.7204 77.7556 82.1537 88.8022 93.2512 96.9021 99.4731 113.7566 123.0620 123.6562 130.9152 139.7603 161.0012 178.0312 180.2906 187.8257 221.4907 231.2639 248.0576 266.4563 271.8499 275.0149 286.3388 290.9395 306.0131 321.4737 326.4606 340.9421 372.9670 381.8564 392.0217 395.1547 422.9739 427.5914 446.0234 454.1705 464.6961 469.9644 476.6262 483.4496 504.8004 515.7552 556.9462 564.1069 586.1142 593.2097 612.6259 631.8933 642.9160 686.6159 694.9721 706.8805 721.1861 741.8302 754.4173 795.0352 807.9674 828.0330 874.6572 879.8888 884.1673 900.2946 913.1373 913.8343 928.0726 940.8611 943.7309 947.2141 957.0856 959.4709 962.9078 971.6237 974.4101 987.7335 1001.3414 1032.9117 1048.7595 1069.4317 1079.6767 1083.0279 1093.7686 1102.6307 1105.1551 1110.1929 1113.8298 1119.1754 1131.0217 1169.3376 1181.2352 1186.7611 1199.8494 1202.9240 1210.1559 1211.7221 1214.2023 1220.8712 1242.9573 1243.6748 1258.4897 1277.3217 1294.3741 1295.1976 1297.6713 1298.6361 1302.2884 1310.8873 1325.6652 1332.5587 1351.0576 1384.7304 1387.7920 1388.8294 1391.8525 1405.6965 1415.9609 1426.8050 1427.0807 1430.7751 1441.8752 1453.5453 1461.8859 1468.5191 1473.0262 1503.6335 1529.8200 1544.8000 1546.6162 1547.0551 1555.4427 1556.1467 1583.4821 1585.4861 1586.7280 1591.9953 1609.2984 1612.7326 1614.9406 1630.1790 1630.5332 1630.8941 1634.4052 1643.4128 1643.6133 1648.1662 1668.2015 1670.0507 1671.3849 1672.2547 1675.5153 1686.7321 1697.4522 1706.6218 1764.9579 1776.9993 1815.9605 1826.5881 1953.2231 1999.4585 2036.2458 3174.6808 3176.3319 3214.4078 3216.3553 3219.1708 3227.8054 3228.6965 3247.2189 3250.6865 3265.2357 3270.9577 3276.7840 3281.3898 3282.0249 3283.9615 3284.6978 3288.7370 3312.8609 3323.3844 3324.0272 3327.8076 3329.8389 3330.8750 3363.5837 3364.0330 3376.1375 3377.5281 3391.5169 3407.1918 3418.9528 3420.4879 3915.9433 4118.6432 4119.4462
5.4696 4.6255 5.0753 4.1622 4.7770 3.8880 4.3396 4.6011 1.1126 5.0455 4.6795 2.8262 3.3541 2.2859 3.7163 4.1098 4.4056 4.3935 4.6269 3.7502 3.9840 4.8070 3.8155 4.1228 3.9311 4.3372 4.9682 3.1331 3.1833 3.9503 1.4327 1.6335 1.6507 1.4668 1.4838 4.1372 3.8523 4.4696 5.1147 4.8149 4.0912 5.1402 4.9357 2.9330 2.8873 3.0023 3.4990 1.7633 2.8082 3.1312 2.2714 2.5723 3.4616 3.7942 3.7531 2.2981 3.7754 2.8972 2.9051 3.1103 2.5530 5.9024 7.0066 5.9450 4.6257 4.8725 3.8158 4.1611 4.3586 2.8395 1.1560 1.3238 3.3406 1.3914 3.8448 2.7482 1.2680 2.0866 6.2415 4.3865 2.3342 2.1266 2.3490 2.2773 1.9943 2.8198 2.1853 4.0242 1.3999 1.3513 1.3832 2.1748 1.3379 2.7266 2.5644 2.2086 2.2284 3.2641 1.7992 3.0473 1.7307 1.8063 5.7219 2.4090 2.2125 2.9035 2.5081 2.1584 2.1700 3.2482 3.3807 1.3797 1.2951 1.5444 1.5491 1.2618 3.4106 2.8304 1.6299 2.3274 1.8033 1.4006 1.4225 1.1175 2.8745 3.3067 1.0925 1.0910 1.5107 2.7385 1.2189 2.3351 1.4136 1.6321 1.6109 1.3933 1.2941 1.7478 1.3502 1.3205 1.4317 2.4257 1.4257 1.5126 2.5832 1.4832 1.0594 1.5096 1.0475 1.0406 1.0529 1.0954 1.0570 1.0570 1.1072 1.0978 1.0923 1.0967 1.0996 1.1279 2.4055 2.4329 1.9103 6.2654 6.3152 5.5164 5.6076 9.0113 12.2856 12.5963 1.0657 1.0653 1.0360 1.0360 1.0395 1.0979 1.0980 1.0712 1.0722 1.0655 1.0669 1.0619 1.1019 1.1025 1.0984 1.1015 1.0982 1.0982 1.1109 1.0968 1.1062 1.1113 1.1023 1.0909 1.0904 1.0916 1.0920 1.0951 1.0935 1.0918 1.0918 1.0789 1.0670 1.0671
0.0001 0.0004 0.0006 0.0011 0.0021 0.0029 0.0047 0.0058 0.0017 0.0090 0.0121 0.0093 0.0119 0.0091 0.0173 0.0211 0.0244 0.0256 0.0353 0.0335 0.0359 0.0485 0.0439 0.0630 0.0734 0.0831 0.1033 0.0906 0.1003 0.1432 0.0599 0.0711 0.0736 0.0709 0.0740 0.2283 0.2346 0.2807 0.3503 0.3946 0.3515 0.4654 0.4541 0.3092 0.3110 0.3519 0.4252 0.2243 0.3654 0.4191 0.3128 0.3862 0.5425 0.6934 0.7037 0.4651 0.7828 0.6407 0.6834 0.7575 0.7091 1.6796 2.0628 1.8218 1.4998 1.6339 1.4210 1.6005 1.7607 1.2799 0.5273 0.6097 1.5953 0.6835 1.8917 1.3946 0.6613 1.0949 3.2994 2.3674 1.2661 1.1617 1.3066 1.2740 1.1464 1.6658 1.3737 2.6078 0.9433 0.9281 0.9559 1.5329 0.9584 1.9621 1.8623 1.6144 1.6445 2.4601 1.4494 2.5052 1.4362 1.5321 4.8783 2.0786 1.9140 2.5220 2.2026 1.9647 1.9775 3.0311 3.2498 1.3619 1.2801 1.5323 1.5393 1.2608 3.4531 2.9306 1.7053 2.5031 2.0373 1.5893 1.6166 1.2755 3.3465 3.9061 1.3104 1.3091 1.8221 3.3544 1.5173 2.9402 1.7961 2.0865 2.1458 1.9213 1.8195 2.4632 1.9040 1.8823 2.0427 3.5836 2.1115 2.2437 3.8574 2.2631 1.6235 2.3197 1.6402 1.6300 1.6500 1.7240 1.6820 1.6824 1.7721 1.8000 1.7950 1.8050 1.8116 1.8656 4.0322 4.1301 3.2782 11.4993 11.7494 10.7182 11.0233 20.2554 28.9383 30.7718 6.3283 6.3323 6.3070 6.3143 6.3470 6.7394 6.7438 6.6551 6.6755 6.6934 6.7256 6.7181 6.9903 6.9971 6.9791 7.0019 6.9983 7.1016 7.2288 7.1402 7.2177 7.2597 7.2053 7.2720 7.2705 7.3308 7.3398 7.4217 7.4792 7.5193 7.5262 9.7480 10.6644 10.6688
0.6622 0.2690 0.1827 1.0958 0.4570 0.8520 0.0998 0.2017 1.3925 0.1378 1.5125 10.7765 6.3978 1.2125 3.6577 4.9055 0.8113 0.4307 1.8817 9.2459 6.1706 4.5132 0.1673 6.7452 0.8078 1.9010 1.8741 1.6351 17.8420 5.1191 72.6489 96.8411 88.7817 0.6928 4.2887 21.0813 15.4536 2.9109 8.0931 0.8021 8.4022 9.6131 5.1879 1.3267 4.0315 3.1903 1.6845 58.0758 10.3360 1.0614 63.7694 17.6434 9.5738 2.8388 34.1139 5.0849 33.5636 25.4334 29.3961 1.5437 15.2997 2.3368 0.4102 9.2879 9.8950 19.2634 3.1014 6.8351 0.6405 1.1046 0.5822 0.5813 12.5503 3.7311 18.7562 14.1587 1.7838 61.4073 13.7087 43.7137 30.5639 48.2694 30.7725 21.4352 3.9115 5.1280 47.1675 5.9824 1.7139 0.4038 0.7910 4.9114 0.2523 3.3062 2.3588 3.7921 14.9592 29.1857 12.2120 56.2694 1.5303 10.2952 148.0946 57.8321 20.6070 13.8728 26.5640 33.0265 54.4811 61.9615 27.4552 91.8723 66.0064 8.1409 4.1841 3.0760 33.7241 13.4464 318.6650 38.3807 102.9932 21.9644 7.3084 3.9179 285.0418 710.7127 3.9750 2.8653 39.9379 317.1972 13.8865 373.4438 3.0654 133.6993 107.5245 27.6498 10.6787 179.4281 26.3706 32.5685 0.2405 1.2395 3.9461 4.3599 10.0185 2.2225 19.5771 5.4708 5.4190 4.2289 2.8408 11.8898 0.4173 0.9299 11.6880 1.3704 3.1315 3.6926 6.6385 11.1053 600.0779 177.8145 383.9077 5.2869 10.1808 35.2559 75.4315 229.7030 137.9386 422.3076 102.9940 47.9370 23.2757 17.6528 6.9077 32.2112 110.5214 94.0987 6.2267 5.2472 3.9806 4.5085 19.9855 29.6161 40.1879 22.6479 36.5246 0.4120 39.0775 39.9072 2.4669 42.1164 10.6821 19.0062 10.7716 19.2051 10.9722 9.0814 8.1352 21.4032 14.6612 74.7903 60.1478 49.5990
0.1324 0.7285 0.7950 0.2832 0.6325 0.7315 1.1239 2.0541 0.4563 1.6065 1.5263 0.8511 3.4729 0.2512 0.2707 0.3288 1.1800 3.6215 0.3115 0.1042 0.0922 0.1267 0.6861 0.2659 0.3408 0.4603 0.8426 0.3953 1.0138 0.4610 4.3173 0.7315 1.4807 0.0923 0.1977 1.2938 4.4753 1.3730 3.8241 2.2713 2.5657 1.1003 1.4570 2.9263 1.0713 0.3897 0.1686 0.3957 0.3049 0.0844 0.4404 0.7074 0.8444 1.9217 1.2884 0.8153 3.3835 0.5950 1.6007 1.3705 1.2544 5.7760 7.1365 1.8887 3.0350 4.3749 3.5605 5.0678 6.3803 15.4339 0.3345 6.0365 23.2348 3.8690 7.9560 4.5529 1.8253 8.3502 0.9311 6.8915 2.2179 2.9847 14.6177 7.1228 4.1905 4.2562 9.5350 5.0415 5.4803 0.8082 1.2039 8.8113 0.3537 0.8600 6.8807 2.3244 6.1602 6.3558 1.0751 3.7567 0.4336 0.5878 1.4291 2.9176 1.0840 3.1932 3.5576 9.3049 3.2476 0.5473 4.7808 6.3544 24.5325 1.1592 1.2372 19.2036 10.7042 20.9428 17.6354 0.8137 9.7725 11.6535 8.2658 4.8021 4.9362 4.9392 10.8097 13.8857 12.7182 12.6475 7.4948 4.3093 0.9406 0.8050 12.6539 6.6304 1.1407 35.5639 2.2164 1.5012 19.8560 2.8873 5.9711 2.9173 1.4852 8.3656 10.5631 2.4167 1.3944 24.1817 29.6652 9.7811 15.6812 19.6856 8.6326 2.0106 3.7864 13.2204 6.1144 13.1022 5.7362 8.1121 3.3109 1.6436 9.1565 47.9419 215.1687 4.1228 2.3887 5.7448 109.7352 157.7220 107.0333 105.1384 102.5740 54.4578 60.4515 3.8718 123.7895 80.4875 92.0105 62.8474 47.7021 83.6900 73.7208 88.1649 64.9194 37.3284 17.3439 98.0364 34.1359 19.5577 67.5616 42.5163 60.3462 67.3692 66.1244 124.3538 100.7810 53.0797 121.5569 23.3857 98.2396 148.6921
0.7018 0.7460 0.7266 0.6801 0.7201 0.7295 0.7166 0.7434 0.7499 0.6994 0.7480 0.7317 0.7309 0.7500 0.7301 0.6852 0.7343 0.7500 0.6861 0.5709 0.6902 0.5340 0.3676 0.2078 0.7098 0.1162 0.2910 0.1759 0.6311 0.6409 0.7119 0.7351 0.6307 0.6651 0.5657 0.5911 0.4893 0.6824 0.1841 0.7486 0.6920 0.6296 0.3623 0.7485 0.2400 0.6308 0.6846 0.7460 0.7405 0.5100 0.4377 0.7317 0.3229 0.6510 0.4069 0.7495 0.1646 0.7497 0.3506 0.2378 0.5589 0.7494 0.7500 0.6171 0.4226 0.3863 0.3154 0.1990 0.1424 0.0681 0.2547 0.1383 0.0514 0.2976 0.1914 0.7471 0.7487 0.2130 0.4466 0.7468 0.7346 0.5470 0.1144 0.7189 0.7269 0.0997 0.1364 0.1616 0.5595 0.4056 0.7480 0.1642 0.7346 0.7395 0.6343 0.6031 0.5355 0.6846 0.4148 0.5793 0.7422 0.2788 0.7300 0.7463 0.7493 0.7500 0.7287 0.1009 0.6634 0.7328 0.4792 0.1421 0.0977 0.7330 0.7498 0.1978 0.4210 0.1403 0.1949 0.3637 0.1906 0.5809 0.6066 0.7080 0.4602 0.7074 0.7226 0.7473 0.3612 0.5650 0.7499 0.5546 0.7455 0.5343 0.3191 0.7436 0.4201 0.4140 0.7248 0.6868 0.3987 0.3079 0.6701 0.6028 0.7422 0.1837 0.7436 0.7496 0.6975 0.7381 0.7477 0.7105 0.6789 0.7487 0.7406 0.7235 0.7499 0.7271 0.7500 0.7257 0.4233 0.4707 0.4830 0.7436 0.6905 0.7336 0.3843 0.3810 0.6035 0.6324 0.3778 0.1975 0.0397 0.0315 0.0294 0.6910 0.4752 0.1127 0.1092 0.2569 0.2904 0.0623 0.7490 0.6436 0.5349 0.5753 0.5365 0.7492 0.7476 0.3019 0.7191 0.7248 0.6124 0.3896 0.5571 0.3418 0.5218 0.2064 0.2128 0.2973 0.1518 0.1772 0.3384 0.2943
0.8248 0.8545 0.8417 0.8096 0.8373 0.8436 0.8349 0.8528 0.8571 0.8231 0.8558 0.8450 0.8445 0.8571 0.8440 0.8132 0.8468 0.8571 0.8139 0.7268 0.8167 0.6962 0.5376 0.3441 0.8302 0.2083 0.4508 0.2992 0.7739 0.7812 0.8317 0.8473 0.7736 0.7989 0.7226 0.7430 0.6571 0.8112 0.3110 0.8563 0.8180 0.7727 0.5319 0.8562 0.3871 0.7736 0.8128 0.8546 0.8509 0.6755 0.6089 0.8451 0.4882 0.7886 0.5784 0.8568 0.2827 0.8570 0.5191 0.3843 0.7170 0.8568 0.8571 0.7632 0.5941 0.5574 0.4795 0.3320 0.2494 0.1275 0.4060 0.2430 0.0978 0.4587 0.3214 0.8553 0.8563 0.3512 0.6175 0.8551 0.8470 0.7071 0.2053 0.8365 0.8419 0.1813 0.2400 0.2783 0.7175 0.5771 0.8558 0.2821 0.8470 0.8503 0.7763 0.7524 0.6975 0.8128 0.5864 0.7336 0.8520 0.4360 0.8439 0.8547 0.8567 0.8571 0.8431 0.1834 0.7977 0.8458 0.6479 0.2489 0.1781 0.8459 0.8570 0.3303 0.5925 0.2461 0.3262 0.5334 0.3202 0.7349 0.7551 0.8290 0.6303 0.8286 0.8390 0.8554 0.5307 0.7221 0.8571 0.7135 0.8542 0.6964 0.4838 0.8530 0.5917 0.5856 0.8404 0.8143 0.5701 0.4708 0.8025 0.7522 0.8520 0.3104 0.8529 0.8569 0.8218 0.8493 0.8557 0.8308 0.8087 0.8563 0.8510 0.8396 0.8571 0.8420 0.8571 0.8411 0.5948 0.6401 0.6513 0.8530 0.8169 0.8464 0.5553 0.5518 0.7527 0.7748 0.5484 0.3299 0.0764 0.0611 0.0572 0.8172 0.6443 0.2025 0.1969 0.4088 0.4501 0.1172 0.8565 0.7832 0.6970 0.7304 0.6983 0.8566 0.8556 0.4638 0.8366 0.8404 0.7596 0.5607 0.7156 0.5094 0.6857 0.3422 0.3509 0.4584 0.2635 0.3010 0.5057 0.4548
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 65 66 67 68 69 70
6 6 8 6 8 6 6 6 6 6 6 6 6 8 6 6 6 6 6 6 7 6 6 8 6 6 8 6 8 8 6 6 7 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 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 15.99491 12.00000 15.99491 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 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 15.99491 15.99491 12.00000 12.00000 14.00307 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
8258.7218 50220.6723 52431.2663
0.99999 0.00183 -0.00403 -0.00193 0.99966 -0.02590 0.00399 0.02591 0.99966
1
0.01049 0.00172 0.00165
0.21853 0.03594 0.03442
9.19 16.43 21.13 30.75 39.37 50.86 62.00 66.64 73.81 78.97 95.27 107.51 111.87 118.20 127.77 134.17 139.42 143.12 163.67 177.06 177.91 188.36 201.08 231.64 256.15 259.40 270.24 318.68 332.74 356.90 383.37 391.13 395.69 411.98 418.60 440.28 462.53 469.70 490.54 536.62 549.41 564.03 568.54 608.57 615.21 641.73 653.45 668.59 676.17 685.76 695.58 726.30 742.06 801.32 811.62 843.29 853.50 881.43 909.15 925.01 987.89 999.91 1017.04 1037.63 1067.33 1085.44 1143.88 1162.48 1191.35 1258.44 1265.96 1272.12 1295.32 1313.80 1314.80 1335.29 1353.69 1357.82 1362.83 1377.03 1380.46 1385.41 1397.95 1401.96 1421.13 1440.71 1486.13 1508.93 1538.67 1553.41 1558.24 1573.69 1586.44 1590.07 1597.32 1602.55 1610.24 1627.29 1682.42 1699.53 1707.48 1726.32 1730.74 1741.14 1743.40 1746.97 1756.56 1788.34 1789.37 1810.69 1837.78 1862.32 1863.50 1867.06 1868.45 1873.70 1886.07 1907.34 1917.25 1943.87 1992.32 1996.72 1998.22 2002.57 2022.48 2037.25 2052.85 2053.25 2058.57 2074.54 2091.33 2103.33 2112.87 2119.36 2163.39 2201.07 2222.62 2225.24 2225.87 2237.94 2238.95 2278.28 2281.16 2282.95 2290.53 2315.42 2320.36 2323.54 2345.46 2345.97 2346.49 2351.54 2364.50 2364.79 2371.34 2400.17 2402.83 2404.75 2406.00 2410.69 2426.83 2442.26 2455.45 2539.38 2556.71 2612.76 2628.05 2810.25 2876.77 2929.70 4567.66 4570.03 4624.82 4627.62 4631.67 4644.09 4645.37 4672.02 4677.01 4697.95 4706.18 4714.56 4721.19 4722.10 4724.89 4725.95 4731.76 4766.47 4781.61 4782.53 4787.97 4790.90 4792.39 4839.45 4840.09 4857.51 4859.51 4879.64 4902.19 4919.11 4921.32 5634.17 5925.81 5926.96
0.624053
0.660320
0.661264
0.547861
-1711.556861
-1711.520594
-1711.519650
-1711.633053
3.803555D-04
MUNgauss
RevisionA2.0
retrievium
27-Jul-2020
DUDE CCOC(=O)C(Cc1ccc(cc1)Oc2ccc(cc2)N(CCO)CCO)(C(=O)OCC)NC(=O)C C13551013
RHF
6-31G(d)
(6D,10F)
C1
502.231516
|X|Y|Z|
55.338274 43.597131 160.432493
72.877245
13
|36.858105|
|12.591402|36.858105|
|8.030019|13.312987|73.516695|
|5.279241|8.108000|25.725949|36.858105|
|4.611511|7.169572|15.312613|16.045203|73.516695|
|4.013671|5.108030|14.133394|12.408121|14.197704|36.858105|
|3.391155|4.158092|9.974017|7.601259|11.265052|12.282140|36.858105|
|3.618941|4.269617|9.779986|6.286529|9.393214|7.405004|12.584453|36.858105|
|3.800312|4.569410|9.430959|5.828248|9.612097|5.557686|7.519900|13.662514|36.858105|
|3.628686|4.030870|7.712707|4.336513|7.223749|4.100425|5.000941|7.870777|13.800117|36.858105|
|3.332360|3.478474|6.781347|3.690465|5.948291|3.699614|4.413704|6.797912|7.943822|13.719336|36.858105|
|3.203140|3.333510|6.888239|3.787083|5.879019|4.105418|4.990003|7.849272|6.888689|7.943757|13.760950|36.858105|
|3.325885|3.630018|8.057203|4.682657|6.996749|5.591423|7.527396|13.737988|8.015804|6.917781|7.959485|13.724122|36.858105|
|3.002061|3.013146|5.600945|2.996123|4.943977|2.948034|3.358180|4.580063|5.285511|8.180187|14.009714|7.846885|5.191346|73.516695|
|2.621982|2.574006|4.816501|2.573591|4.228420|2.597888|2.911020|3.769338|3.994921|5.283664|8.015291|6.684405|4.499231|24.648196|36.858105|
|2.655392|2.512249|4.656841|2.426252|3.950985|2.434931|2.623399|3.277109|3.383896|4.213170|5.786521|5.367172|3.893169|14.186647|13.816811|36.858105|
|2.276606|2.151187|3.990545|2.099092|3.438137|2.133717|2.280036|2.741299|2.762764|3.268751|4.199833|4.165510|3.236165|9.265217|7.933642|13.770542|36.858105|
|1.999073|1.928218|3.597911|1.932769|3.195854|1.990608|2.161000|2.564435|2.565134|2.987237|3.765549|3.798193|3.018541|8.069418|6.746161|7.831518|13.576853|36.858105|
|1.991986|1.963528|3.685327|2.013317|3.351273|2.085435|2.325113|2.798835|2.822640|3.334603|4.267303|4.233325|3.300370|9.257039|7.935053|6.920296|7.985907|13.566004|36.858105|
|2.231508|2.226476|4.189629|2.295453|3.819206|2.362325|2.690025|3.372706|3.492376|4.353070|5.957622|5.502910|4.000021|14.145886|13.800728|8.016745|6.917988|7.830403|13.784517|36.858105|
|1.774310|1.707820|3.177274|1.712663|2.844904|1.769318|1.899151|2.192064|2.172947|2.458283|2.968201|3.037983|2.537184|6.068123|4.527008|5.144325|7.819621|13.761959|7.819030|5.145153|53.358707|
|1.591549|1.551232|2.888090|1.577481|2.642590|1.638151|1.770839|2.014916|1.994506|2.225059|2.622926|2.685807|2.301505|5.243055|3.722033|3.883514|5.055854|7.701111|6.603270|4.465145|17.891455|36.858105|
|1.543542|1.517247|2.859926|1.576136|2.632994|1.663075|1.806976|2.033348|1.972108|2.155441|2.531295|2.679965|2.344319|4.863441|3.357803|3.400158|4.164135|5.779428|5.558202|4.038098|10.389556|12.515937|36.858105|
|1.505626|1.468683|2.772810|1.520025|2.527869|1.608232|1.721399|1.912963|1.836642|1.981144|2.307270|2.476087|2.204595|4.360576|2.952121|3.100832|3.812238|4.821592|4.295050|3.342277|8.808998|8.030549|13.562496|73.516695|
|1.735988|1.647123|3.047662|1.627027|2.696220|1.672966|1.761365|2.004707|1.979526|2.209056|2.615573|2.688954|2.298023|5.243732|3.722248|4.464203|6.604448|7.703989|5.055876|3.883870|17.896061|7.715778|5.648328|10.496047|36.858105|
|1.682694|1.584880|2.885785|1.533621|2.560546|1.553234|1.622733|1.838710|1.846946|2.070403|2.399129|2.392297|2.061305|4.879742|3.356984|4.036441|5.557672|5.781420|4.166338|3.401362|10.390093|5.655563|4.151038|7.442528|12.514605|36.858105|
|1.519366|1.446110|2.626716|1.409533|2.372972|1.428053|1.499521|1.685396|1.699831|1.895565|2.162356|2.142080|1.868125|4.373971|2.948052|3.337673|4.289524|4.815619|3.809718|3.098726|8.797420|5.910281|4.189344|7.311286|8.030788|13.563919|73.516695|
|3.282875|4.075571|9.706971|7.781217|12.027941|12.349154|7.563839|4.886776|4.036238|3.160016|2.882299|3.138560|4.002061|4.264719|2.161008|2.039370|1.828324|1.730167|1.808930|2.011292|2.128737|1.466759|1.498167|2.588520|1.486791|1.386394|2.286861|36.858105|
|2.796434|3.416430|7.568931|5.804043|10.184241|7.894143|6.894930|4.467501|3.778438|2.973834|2.699341|2.911384|3.661760|4.028595|2.048311|1.912590|1.726443|1.654809|1.746420|1.938478|2.044242|1.422763|1.459488|2.510523|1.420063|1.324415|2.200964|16.113223|73.516695|
|3.351720|4.051107|9.362188|6.573988|10.172042|8.058858|5.163329|3.867490|3.334723|2.740147|2.543901|2.749382|3.357715|3.857620|1.979392|1.904722|1.722584|1.620877|1.671230|1.835092|2.011054|1.382291|1.408369|2.455294|1.420932|1.331561|2.192746|14.438211|15.278821|73.516695|
|2.757884|3.225194|6.833541|4.543697|7.739016|5.145669|3.923341|3.068533|2.726254|2.302388|2.152239|2.302574|2.730635|3.333880|1.730809|1.669858|1.530252|1.453162|1.496776|1.625883|1.822071|1.263094|1.290716|2.256856|1.291556|1.214641|2.013651|8.137454|12.751514|23.740050|36.858105|
|2.713985|3.050981|6.221670|3.815448|6.433730|4.046449|3.147010|2.617497|2.371251|2.061326|1.951476|2.076386|2.397008|3.073979|1.610629|1.576970|1.455207|1.375243|1.400656|1.507695|1.735722|1.200119|1.222501|2.153139|1.242571|1.174232|1.943669|5.283514|8.196928|14.289853|12.586980|36.858105|
|4.147151|4.757445|13.125648|7.809297|9.540634|13.172357|7.630260|6.241184|4.658057|3.769221|3.657337|4.275285|5.743417|5.251223|2.677196|2.579534|2.275563|2.098349|2.158249|2.410806|2.544912|1.712884|1.745317|3.037283|1.786253|1.645100|2.661310|7.730170|9.742882|12.327198|4.641401|3.982721|53.358707|
|3.291471|3.583766|8.671659|5.127257|7.126737|7.738254|5.929307|4.916405|3.728537|3.157073|3.183318|3.820296|4.990707|4.697341|2.478448|2.408853|2.181132|2.040386|2.089051|2.284916|2.509718|1.701590|1.760410|3.095453|1.768938|1.613289|2.615536|6.488723|8.974563|10.960157|4.556062|3.969398|19.187761|36.858105|
|2.796366|3.089343|7.139141|4.478789|6.621031|6.812470|5.830835|4.513371|3.446624|2.901783|2.900120|3.444953|4.485207|4.315900|2.289369|2.196146|2.011745|1.917478|1.984790|2.159476|2.377517|1.635032|1.708019|2.996129|1.666280|1.517987|2.484941|6.860856|10.308409|10.918953|4.870560|4.018588|11.579953|15.853208|73.516695|
|3.166497|3.220242|7.330047|3.966052|5.710793|5.017483|4.176688|3.883483|3.128494|2.806067|2.931848|3.517416|4.219459|4.473474|2.428572|2.438009|2.246423|2.081576|2.081323|2.229708|2.587116|1.738268|1.800494|3.220648|1.854887|1.684151|2.705888|4.380448|6.453948|8.020896|3.651883|3.481066|10.717901|12.592943|14.212797|36.858105|
|17.575374|8.857824|12.873155|4.913407|7.464806|3.956670|3.478433|3.916645|4.134573|4.117558|3.886633|3.701117|3.719929|6.234023|3.036941|3.116098|2.612152|2.248585|2.227353|2.516456|2.681578|1.745054|1.682541|2.911530|1.924810|1.860467|2.956428|3.138000|4.791887|5.548456|2.566658|2.494875|5.731977|3.358831|5.024034|3.283245|0.500000|
|17.569814|8.848717|12.856979|4.895033|7.450313|3.921593|3.206660|3.311852|3.324868|3.141898|2.971472|2.956749|3.112346|4.776276|2.410853|2.471667|2.161329|1.905777|1.883473|2.078677|2.327430|1.536344|1.499466|2.623862|1.688186|1.631092|2.615354|3.296009|4.926704|6.228052|2.888709|2.929864|5.793579|3.444632|5.132449|3.415436|0.300370|0.500000|
|17.560280|8.909142|10.205043|4.278197|7.102319|3.334276|2.915407|3.106440|3.343836|3.279640|3.001821|2.823132|2.868980|4.963399|2.450293|2.491517|2.153225|1.894975|1.883109|2.097642|2.302644|1.521767|1.465810|2.539719|1.661729|1.630892|2.629480|2.839245|4.412738|5.157641|2.467980|2.452489|4.582791|2.774964|4.300444|2.689160|0.300827|0.300898|0.500000|
|8.811923|17.637337|16.539302|7.303325|12.920789|4.734777|4.198877|4.501911|5.263232|4.676333|3.807546|3.481912|3.717561|5.854322|2.731910|2.614234|2.210176|1.986091|2.045277|2.352674|2.376048|1.588591|1.545348|2.635430|1.668324|1.610923|2.623308|3.778567|5.850642|6.381960|2.926148|2.713912|5.731864|3.244102|5.096678|2.891244|0.211518|0.172954|0.211494|0.500000|
|8.801113|17.632680|16.528141|7.258413|12.883976|4.679530|3.749207|3.648746|3.840159|3.375370|2.939044|2.843966|3.114007|4.603449|2.251203|2.199028|1.917433|1.738767|1.770509|1.984886|2.119974|1.426887|1.400436|2.417095|1.507531|1.455441|2.376909|4.066644|6.105574|7.483944|3.432577|3.301523|5.795008|3.321345|5.210793|2.979524|0.172939|0.210981|0.211291|0.301978|0.500000|
|3.153369|3.953400|8.852315|7.029774|12.286858|8.897790|17.634435|8.880434|7.111610|4.718309|3.967959|4.200695|5.661553|5.534079|2.681053|2.399871|2.097627|2.005385|2.171495|2.509955|2.412345|1.667986|1.696248|2.859429|1.641365|1.525073|2.526511|7.181369|13.371705|8.643838|3.876478|3.059190|7.639952|4.603817|8.377390|3.431598|0.088067|0.082002|0.077136|0.114406|0.102119|0.500000|
|2.928414|3.432133|7.926718|5.565038|8.541178|8.947857|17.621204|8.868112|5.656218|4.206782|3.964194|4.699254|7.086326|5.503010|2.777330|2.512972|2.226960|2.141677|2.309150|2.629855|2.584635|1.785156|1.848598|3.141105|1.758422|1.605089|2.644314|7.028402|12.278472|8.718730|3.881872|3.096065|9.522856|6.438670|12.601966|4.403879|0.083712|0.078661|0.070839|0.094800|0.087724|0.304383|0.500000|
|3.776335|4.804413|9.465615|6.255870|11.554552|5.447924|6.974407|8.899154|17.703360|8.976854|5.657961|4.959286|5.675149|7.610039|3.343131|2.898427|2.419927|2.263305|2.472163|2.987268|2.653697|1.807292|1.784704|2.965341|1.790793|1.689581|2.787107|4.163921|7.069404|6.079312|2.820617|2.431330|5.823159|3.425198|5.734294|2.856510|0.109258|0.091014|0.094033|0.161119|0.115363|0.213184|0.143564|0.500000|
|3.488545|3.839816|6.885181|3.836902|6.678768|3.493999|4.073904|5.606732|8.885882|17.732453|8.961346|5.663146|4.976594|13.467420|4.907218|3.965404|3.104626|2.843107|3.163325|4.088025|3.207713|2.143740|2.046903|3.333813|2.124147|2.028180|3.326853|2.809635|4.753136|4.410229|2.122463|1.919316|4.354327|2.716969|4.481843|2.452334|0.108501|0.082825|0.090717|0.127931|0.090709|0.111690|0.096836|0.215233|0.500000|
|2.885662|2.912575|5.922602|3.216204|5.029127|3.514025|4.081720|5.617016|4.963735|5.644141|8.902063|17.761414|8.915142|12.511839|7.393779|6.210299|4.950792|4.526600|4.986329|6.264287|4.818794|3.066125|3.088486|5.074864|3.091927|2.667027|4.190035|2.793225|4.627985|4.446646|2.129057|1.946218|5.171119|3.573165|5.758699|3.455862|0.092433|0.075509|0.071432|0.082984|0.070139|0.096945|0.111762|0.107692|0.124391|0.500000|
|3.041384|3.269873|7.325672|4.281291|6.362595|5.500723|6.981539|8.933472|5.674658|4.974708|5.669495|8.969559|17.707195|7.453321|3.901367|3.518226|3.055165|2.892012|3.112716|3.601264|3.382057|2.270312|2.361654|4.005684|2.270883|2.013005|3.244757|4.095307|6.652828|6.155574|2.828148|2.480733|8.367090|5.933410|9.576702|4.982698|0.092919|0.081510|0.073009|0.090265|0.079758|0.143547|0.212141|0.124379|0.107919|0.217020|0.500000|
|3.011432|2.767785|5.061879|2.569379|4.153283|2.528557|2.658927|3.311590|3.452278|4.278338|5.634034|5.131614|3.850330|12.971616|8.969883|17.718688|8.929233|5.600419|4.976659|5.686215|5.677085|3.251884|2.898399|4.840469|3.897829|3.673871|5.382054|2.100105|3.460970|3.518915|1.724633|1.639633|3.679688|2.485222|3.965569|2.535450|0.100797|0.077323|0.078471|0.079668|0.066496|0.067323|0.069742|0.082596|0.112688|0.155657|0.096041|0.500000|
|2.241137|2.081145|3.832444|1.995975|3.265127|2.018764|2.114421|2.492354|2.498541|2.890805|3.573337|3.581092|2.898915|7.540470|5.683334|9.045686|17.789264|8.832293|5.649060|4.982206|9.626977|4.605895|3.811763|6.557534|7.442170|6.567149|8.194819|1.742770|2.913104|2.953561|1.481509|1.422484|2.959702|2.094567|3.418843|2.194638|0.071339|0.059692|0.059204|0.058788|0.051760|0.054061|0.057382|0.061585|0.076794|0.115549|0.077134|0.219037|0.500000|
|1.810520|1.800582|3.381621|1.869438|3.135999|1.948497|2.182236|2.573822|2.580799|2.974501|3.650724|3.664549|2.987257|7.531232|5.683650|4.983377|5.649616|8.829387|17.790427|9.052376|9.629318|7.444299|6.562206|8.196916|4.606433|3.817117|6.562447|1.714340|2.970736|2.812873|1.429194|1.335372|2.723767|1.956190|3.348802|1.940123|0.055521|0.047769|0.047695|0.052047|0.045528|0.057140|0.060832|0.063648|0.078876|0.116854|0.079459|0.108043|0.123461|0.500000|
|2.154498|2.194390|4.139495|2.313312|3.893630|2.390361|2.788301|3.496335|3.667802|4.551499|5.927082|5.354407|4.044419|12.909919|8.959181|5.685460|4.975479|5.600432|8.936885|17.719230|5.678973|3.899899|3.674135|5.385905|3.252422|2.901234|4.842029|2.047289|3.550550|3.284231|1.641768|1.509116|3.249402|2.259285|3.848670|2.161841|0.066619|0.055580|0.056314|0.064970|0.054655|0.073315|0.075908|0.087565|0.119428|0.157865|0.100152|0.124877|0.108024|0.219277|0.500000|
|1.490192|1.446404|2.676205|1.459106|2.452461|1.508056|1.614604|1.816380|1.802694|1.995497|2.309374|2.350104|2.047581|4.585261|3.156066|3.347092|4.275139|5.766980|4.902376|3.623651|12.612945|17.643426|8.959390|13.271520|7.618511|6.146224|13.041047|1.360475|2.347003|2.293724|1.185310|1.132257|2.146145|1.568870|2.682661|1.609987|0.045162|0.040101|0.039798|0.041041|0.037145|0.042418|0.045156|0.045799|0.053815|0.073338|0.056249|0.080469|0.114505|0.147780|0.089752|0.500000|
|1.579470|1.550115|2.873788|1.577825|2.660506|1.630812|1.777948|2.031677|2.036754|2.292528|2.686966|2.691882|2.297364|5.451901|3.853044|3.840034|4.752560|7.169710|7.243785|4.842399|12.414956|17.580418|8.889023|10.258927|5.773696|4.847013|9.354022|1.460658|2.530493|2.435334|1.252427|1.185244|2.294090|1.662172|2.849448|1.677156|0.048015|0.042081|0.042084|0.044431|0.039623|0.046862|0.049594|0.051410|0.061955|0.083942|0.062193|0.088669|0.116218|0.254824|0.120351|0.305885|0.500000|
|1.435755|1.420032|2.669110|1.481218|2.491706|1.561812|1.701042|1.895106|1.845395|2.002896|2.309201|2.421016|2.152326|4.406094|2.957016|2.927310|3.443527|4.548361|4.646903|3.561380|7.609500|8.906509|17.485849|16.455745|4.433686|3.550357|6.671519|1.419770|2.475637|2.371103|1.229986|1.163755|2.210998|1.640087|2.853099|1.664839|0.043165|0.038734|0.038008|0.040259|0.036607|0.044729|0.048447|0.046795|0.053199|0.075837|0.060187|0.070424|0.088163|0.158210|0.093636|0.212877|0.221230|0.500000|
|1.639680|1.622056|3.086061|1.708079|2.841375|1.818896|2.000040|2.271149|2.181299|2.384888|2.846905|3.076184|2.665224|5.407372|3.775446|3.707706|4.421567|6.184616|6.511612|4.696088|9.485867|8.823992|17.539599|16.479899|5.020766|3.729548|6.422717|1.627447|2.819695|2.699564|1.384293|1.302711|2.599897|1.929964|3.333493|1.962166|0.049793|0.044155|0.042963|0.045941|0.041420|0.051855|0.057153|0.054284|0.062109|0.100483|0.074904|0.086394|0.108271|0.218897|0.119062|0.174456|0.207699|0.300622|0.500000|
|1.477277|1.447965|2.750744|1.515639|2.517727|1.617535|1.732895|1.908638|1.813272|1.932737|2.238021|2.435930|2.203352|4.150325|2.760329|2.856227|3.391477|4.132302|3.843612|3.108351|6.897312|5.940768|9.812172|35.783539|4.688004|3.500703|6.078510|1.471898|2.544147|2.481051|1.286158|1.225582|2.343890|1.772675|3.070454|1.847032|0.044452|0.040376|0.038812|0.040469|0.037332|0.044914|0.049828|0.045788|0.050527|0.077894|0.063354|0.070440|0.090898|0.114864|0.079743|0.153006|0.130934|0.223568|0.233554|0.500000|
|1.603100|1.528463|2.836388|1.523450|2.530072|1.575968|1.656225|1.859762|1.822145|2.003198|2.338131|2.430613|2.121613|4.581422|3.156377|3.623186|4.903158|5.767515|4.274020|3.346990|12.612589|7.611385|6.133405|13.006140|17.641785|8.958103|13.286172|1.414174|2.410394|2.408690|1.239293|1.194447|2.290660|1.683710|2.840454|1.770997|0.048930|0.043568|0.042634|0.042844|0.039115|0.042972|0.046270|0.046063|0.053428|0.077133|0.058938|0.089703|0.147727|0.114451|0.080460|0.235728|0.151210|0.134248|0.141524|0.153743|0.500000|
|1.863315|1.751960|3.257984|1.724525|2.833156|1.777443|1.856293|2.117315|2.071277|2.302649|2.750447|2.876650|2.453765|5.443656|3.854642|4.842762|7.249199|7.174539|4.751746|3.839946|12.419155|5.770152|4.836437|9.338724|17.578984|8.888329|10.260636|1.569820|2.646265|2.676445|1.361611|1.313556|2.617358|1.908011|3.165436|2.027621|0.057785|0.050581|0.049250|0.048954|0.044349|0.047635|0.051451|0.051757|0.060886|0.093141|0.067757|0.120251|0.254610|0.116149|0.088637|0.151249|0.127869|0.106630|0.127679|0.122699|0.305844|0.500000|
|1.652673|1.544281|2.804887|1.483668|2.473711|1.500120|1.550308|1.740566|1.740810|1.930622|2.212311|2.220653|1.941459|4.420323|2.958529|3.563490|4.651807|4.552024|3.445747|2.929273|7.609695|4.434610|3.547010|6.659000|8.903369|17.483850|16.458371|1.344520|2.276864|2.312000|1.189245|1.156918|2.175003|1.572082|2.623305|1.656562|0.050606|0.044815|0.044599|0.043316|0.039523|0.040437|0.042602|0.044443|0.052485|0.068323|0.052988|0.093715|0.158547|0.088248|0.070494|0.134320|0.106756|0.085744|0.089567|0.089322|0.212575|0.221348|0.500000|
|1.800038|1.687463|3.050685|1.612597|2.694490|1.618439|1.691925|1.936230|1.969147|2.240326|2.606139|2.543961|2.162721|5.439137|3.775097|4.693427|6.510449|6.193734|4.429635|3.712115|9.499089|5.034563|3.733473|6.424250|8.825897|17.540737|16.479866|1.434885|2.430912|2.445790|1.249522|1.206372|2.324483|1.656469|2.756975|1.719475|0.055675|0.048092|0.048632|0.047908|0.042830|0.044208|0.046101|0.049956|0.061462|0.078176|0.057896|0.119056|0.219044|0.108600|0.086574|0.141974|0.128193|0.089725|0.096870|0.086047|0.174479|0.207529|0.300579|0.500000|
|1.487009|1.412268|2.545950|1.364355|2.306241|1.372724|1.436484|1.610308|1.636333|1.825978|2.059295|2.016158|1.766800|4.176389|2.762739|3.110724|3.847734|4.139930|3.399845|2.862043|6.908487|4.705111|3.508059|6.079742|5.943022|9.810496|35.785227|1.239441|2.121412|2.117291|1.095747|1.059824|1.950477|1.402200|2.367739|1.446806|0.045094|0.039928|0.040462|0.040107|0.036352|0.037976|0.039416|0.042169|0.050513|0.060841|0.047726|0.079838|0.115042|0.091258|0.070656|0.154391|0.123364|0.089610|0.086174|0.081271|0.152942|0.130932|0.222710|0.234281|0.500000|
|2.468911|2.830318|5.993491|3.947876|6.675402|4.738081|3.838758|2.984340|2.608162|2.213757|2.094909|2.269248|2.703455|3.247597|1.700876|1.636803|1.510149|1.445113|1.492450|1.613478|1.818715|1.267069|1.304265|2.283676|1.286699|1.204056|2.000705|7.333711|12.881529|16.560165|17.630207|8.810167|5.967985|4.622197|9.504997|3.683478|0.065079|0.071430|0.061629|0.072561|0.081693|0.104752|0.110735|0.074021|0.056433|0.058767|0.079302|0.046583|0.040540|0.039785|0.045381|0.033008|0.034860|0.034597|0.038936|0.036316|0.034433|0.037633|0.032717|0.034262|0.030170|0.500000|
|2.659826|3.169457|6.494198|4.422790|8.081907|4.711927|3.767435|2.957926|2.697279|2.271037|2.090719|2.199280|2.583860|3.251045|1.677112|1.608044|1.471002|1.400918|1.449826|1.579789|1.755724|1.221262|1.244043|2.165175|1.240918|1.172222|1.951244|7.274349|12.929191|16.529306|17.623409|8.810142|5.462090|3.804706|7.191467|3.095763|0.068325|0.076013|0.067101|0.081429|0.095485|0.108364|0.101554|0.079325|0.058796|0.056161|0.072999|0.046054|0.039464|0.038551|0.044569|0.031863|0.033792|0.033046|0.037002|0.034206|0.033054|0.036165|0.031821|0.033562|0.029565|0.301962|0.500000|
|2.985413|3.374937|6.697971|4.012404|6.850034|3.969274|3.055695|2.593149|2.396549|2.092020|1.964601|2.063080|2.356436|3.106657|1.618277|1.589699|1.460362|1.371714|1.393260|1.503807|1.727520|1.190112|1.204364|2.118545|1.239336|1.177631|1.946591|4.897682|7.459458|12.877823|8.849374|17.569918|5.272913|3.673812|6.348920|3.277989|0.074461|0.090491|0.075249|0.081925|0.104858|0.082961|0.081275|0.068843|0.054516|0.053486|0.066658|0.046239|0.039746|0.036766|0.041709|0.031227|0.032687|0.031810|0.035562|0.033362|0.032987|0.036406|0.032266|0.033732|0.029561|0.172950|0.211048|0.500000|
|2.718535|2.969171|6.142762|3.642709|5.922176|3.981016|3.091731|2.609279|2.331761|2.045618|1.966894|2.119381|2.444826|3.101867|1.638781|1.616613|1.497968|1.412609|1.430479|1.532182|1.786867|1.232078|1.258528|2.228801|1.284521|1.209489|1.995057|4.912624|7.449860|12.875019|8.854284|17.572143|5.717625|4.391131|7.777054|4.000646|0.070223|0.082893|0.067667|0.072817|0.087186|0.081268|0.085738|0.065242|0.052580|0.055697|0.071327|0.046746|0.040827|0.037821|0.042357|0.032294|0.033643|0.033181|0.037262|0.035306|0.034347|0.037891|0.033189|0.034429|0.030156|0.211444|0.172990|0.300651|0.500000|
|2.369968|2.630834|5.217233|3.184415|5.510864|3.353726|2.741744|2.312181|2.117648|1.861035|1.766651|1.870257|2.133449|2.809689|1.480250|1.449330|1.346536|1.279815|1.303747|1.395898|1.624462|1.129107|1.151829|2.030943|1.164283|1.102661|1.833306|4.282433|7.102114|10.210468|8.899453|17.555455|4.460536|3.320637|6.111135|2.981417|0.060894|0.070453|0.060525|0.066202|0.079018|0.075149|0.075757|0.060475|0.048506|0.049005|0.061316|0.041680|0.036608|0.034696|0.038894|0.029682|0.030998|0.030576|0.033990|0.032152|0.031201|0.034068|0.030208|0.031391|0.027801|0.211263|0.211546|0.300735|0.300760|0.500000|
|5.047570|5.535733|16.033512|7.622395|9.190402|9.097109|6.090456|5.771268|4.609801|3.881220|3.805377|4.370974|5.510985|5.514735|2.802074|2.751402|2.402807|2.174429|2.207737|2.467831|2.625535|1.746848|1.762217|3.075317|1.856719|1.718075|2.757515|5.869281|7.832899|10.162827|4.041057|3.679449|26.123888|9.367322|10.870929|7.513075|0.145060|0.146609|0.108970|0.130428|0.131554|0.131912|0.149935|0.116432|0.092011|0.108358|0.156034|0.081837|0.064272|0.056264|0.066922|0.044734|0.047614|0.045312|0.053334|0.048140|0.048290|0.055917|0.046514|0.049807|0.041310|0.103883|0.098967|0.102992|0.108423|0.084696|0.500000|
|3.462872|3.398175|7.677749|3.942864|5.635564|4.724619|4.057813|4.049665|3.297253|3.031263|3.247339|3.951885|4.594139|4.959026|2.707339|2.765392|2.526845|2.297677|2.270673|2.437916|2.829581|1.872146|1.924504|3.446989|2.036885|1.842785|2.926852|3.887569|5.785156|6.970200|3.176895|3.052119|9.959590|8.782836|10.563197|17.572468|0.103077|0.103578|0.080769|0.084773|0.085032|0.092230|0.114912|0.081958|0.073100|0.109403|0.148263|0.080934|0.068862|0.058022|0.064683|0.048006|0.049950|0.048954|0.058329|0.054564|0.053564|0.062587|0.050386|0.052483|0.043384|0.087224|0.076995|0.082215|0.094981|0.073335|0.223966|0.500000|
|2.695772|2.737399|6.007973|3.329661|4.967373|4.176818|3.726124|3.484089|2.826153|2.570601|2.722022|3.288758|3.874735|4.209240|2.328434|2.336425|2.193776|2.063821|2.063150|2.179086|2.593543|1.756481|1.844330|3.325265|1.860539|1.674265|2.699506|3.819306|5.905067|6.863990|3.296948|3.140357|7.887331|8.967824|13.348382|17.634365|0.077852|0.079703|0.065046|0.069733|0.071041|0.086717|0.113408|0.071714|0.062749|0.092153|0.130645|0.066442|0.059547|0.053897|0.058774|0.045214|0.046845|0.047434|0.055943|0.053479|0.049799|0.056436|0.045767|0.047060|0.039936|0.095459|0.078460|0.080867|0.099893|0.076823|0.149517|0.298896|0.500000|
|3.183627|3.198019|7.117176|3.790040|5.532542|4.540269|3.644775|3.349739|2.805720|2.529637|2.598026|3.004692|3.499501|4.036120|2.186221|2.212616|2.050159|1.896200|1.883939|2.006851|2.377052|1.601130|1.648445|2.960209|1.720518|1.580022|2.545585|4.202119|6.148556|8.297233|3.860439|3.889667|9.053733|8.944350|11.559806|17.548470|0.089359|0.098442|0.075468|0.078246|0.084082|0.086136|0.104124|0.072805|0.062561|0.081677|0.109425|0.064444|0.056199|0.048926|0.054058|0.041523|0.042948|0.042531|0.049398|0.047042|0.045753|0.052113|0.043452|0.044814|0.037990|0.106340|0.089204|0.101876|0.129984|0.091431|0.185081|0.300903|0.300848|0.500000|
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