Version2.0
2020-02-05T00:49:10Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
29-Sep-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOc1cc(ccc1O)[C@@H]2C(=C(NC(=O)N2)CN3CCN(CC3)c4ccc(cc4)OC)C(=O)OC C67285730
RHF
6-31G(d)
(6D,7F)
CCOc1cc(ccc1O)[C@@H]2C(=C(NC(=O)N2)CN3CCN(CC3)c4ccc(cc4)OC)C(=O)OC
C01[X(C26H32N4O6)]
198
C1
604
CCOc1cc(ccc1O)[C@H]1NC(=O)NC(=C1C(=O)OC)CN1CCN(CC1)c1ccc(cc1)OC
CCOc1cc(ccc1O)[C@H]1NC(=O)NC(=C1C(=O)OC)CN1CCN(CC1)c1ccc(cc1)OC
CCOc1cc(ccc1O)[C@H]2NC(=O)NC(=C2C(=O)OC)CN3CCN(CC3)c4ccc(OC)cc4
InChIKey=JLGPESBTBJMVCT-XMMPIXPASA-N
InChI=1S/C26H32N4O6/c1-4-36-22-15-17(5-10-21(22)31)24-23(25(32)35-3)20(27-26(33)28-24)16-29-11-13-30(14-12-29)18-6-8-19(34-2)9-7-18/h5-10,15,24,31H,4,11-14,16H2,1-3H3,(H2,27,28,33)/t24-/m1/s1
InChI=1/C26H32N4O6/c1-4-36-22-15-17(5-10-21(22)31)24-23(25(32)35-3)20(27-26(33)28-24)16-29-11-13-30(14-12-29)18-6-8-19(34-2)9-7-18/h5-10,15,24,31H,4,11-14,16H2,1-3H3,(H2,27,28,33)/t24-/m1/s1/f/h27-28H
CCOc1cc(ccc1O)[C@@H]2C(=C(NC(=O)N2)CN3CCN(CC3)c4ccc(cc4)OC)C(=O)OC
C01[X(C26H32N4O6)]
198
C01
604
CCOc1cc(ccc1O)[C@H]1NC(=O)NC(=C1C(=O)OC)CN1CCN(CC1)c1ccc(cc1)OC
CCOc1cc(ccc1O)[C@H]1NC(=O)NC(=C1C(=O)OC)CN1CCN(CC1)c1ccc(cc1)OC
CCOc1cc(ccc1O)[C@H]2NC(=O)NC(=C2C(=O)OC)CN3CCN(CC3)c4ccc(OC)cc4
InChIKey=JLGPESBTBJMVCT-XMMPIXPASA-N
InChI=1S/C26H32N4O6/c1-4-36-22-15-17(5-10-21(22)31)24-23(25(32)35-3)20(27-26(33)28-24)16-29-11-13-30(14-12-29)18-6-8-19(34-2)9-7-18/h5-10,15,24,31H,4,11-14,16H2,1-3H3,(H2,27,28,33)/t24-/m1/s1
InChI=1/C26H32N4O6/c1-4-36-22-15-17(5-10-21(22)31)24-23(25(32)35-3)20(27-26(33)28-24)16-29-11-13-30(14-12-29)18-6-8-19(34-2)9-7-18/h5-10,15,24,31H,4,11-14,16H2,1-3H3,(H2,27,28,33)/t24-/m1/s1/f/h27-28H
3827.6675958335
-1670.1697803
1-A
29105.4440
132
472
604
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11.10270
2.7233 -5.5178 2.1521
6.5187
|XX|YY|ZZ|XY|XZ|YZ|
-218.8390 -208.2389 -208.2374 7.0719 6.6524 9.6438
|XX|YY|ZZ|XY|XZ|YZ|
-7.0672 3.5329 3.5343 7.0719 6.6524 9.6438
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
113.8585 -160.3960 11.3358 59.1335 -256.9146 -78.4383 -21.0142 -29.9806 57.1912 -30.5398
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-32278.1660 -5090.7806 -1615.7804 -585.7975 156.6857 274.4665 296.5814 62.9088 -20.3679 -5183.7772 -5753.2935 -1107.8076 188.7344 -153.8838 51.5302
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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
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7.3351 11.1944 14.3614 19.7989 32.0418 43.6529 48.6663 53.6257 57.9475 61.7609 69.2399 85.3889 92.5766 104.6225 110.0788 123.1246 149.5193 153.0128 177.3005 180.3235 196.0280 202.7062 219.3836 239.6782 248.8278 250.7854 276.1334 280.7020 284.8064 295.6912 316.9012 321.4091 347.2389 348.4111 361.6822 375.5547 383.4214 398.3806 422.1397 427.5104 448.1262 457.9336 467.1020 475.5181 489.0712 515.1856 520.1359 529.8151 539.9989 552.0440 570.2737 582.5908 616.6729 619.4804 623.9357 642.7018 665.9544 671.8219 701.3130 704.4176 727.7597 755.8601 796.0848 796.8545 812.6243 838.7741 846.0289 855.7044 877.8985 884.7156 896.2516 901.2043 911.0950 917.5199 923.2423 942.2433 949.9138 952.4760 978.0565 999.4203 1016.1506 1028.2767 1029.6998 1051.2277 1062.2658 1069.7492 1077.5023 1095.5288 1107.9811 1113.3867 1120.8244 1151.3962 1162.3117 1186.4091 1189.7714 1200.8487 1202.5532 1220.6919 1231.8350 1242.1031 1245.7610 1258.6291 1262.9411 1266.5251 1273.6713 1287.3630 1294.5868 1294.8936 1296.0544 1299.3135 1299.4728 1322.7006 1331.7382 1341.3846 1342.1161 1346.8168 1360.6467 1368.2240 1400.0448 1409.1868 1422.1937 1432.3395 1433.1087 1437.0072 1444.1509 1456.1934 1469.9959 1488.5900 1492.2101 1500.9714 1505.3770 1508.8074 1538.8078 1548.0193 1556.2136 1560.8812 1574.6306 1580.8723 1588.1263 1597.7863 1612.8814 1624.3947 1629.8325 1631.2683 1632.1298 1638.1810 1642.0349 1642.5238 1645.6479 1647.3263 1648.8519 1650.7317 1653.7765 1660.4755 1661.3790 1667.7943 1681.0203 1696.9258 1703.1810 1777.0856 1807.4677 1816.9807 1825.7086 1874.2077 1961.0194 1984.7174 3122.2839 3127.0950 3138.0992 3145.5567 3154.2807 3205.1595 3211.1460 3217.6419 3250.7002 3252.6599 3253.1689 3265.8049 3266.1377 3266.7832 3269.6077 3277.1946 3283.1930 3293.4303 3325.5278 3334.4391 3336.3352 3345.2050 3372.7682 3373.4769 3378.5640 3394.2396 3394.6882 3403.3227 3411.8826 3867.0615 3891.7674 4087.3031
5.7972 3.5515 4.5213 6.4529 5.2469 5.2925 4.2869 3.1169 4.6408 4.5622 5.3618 6.5613 4.3554 1.7722 4.1769 3.6597 4.7463 4.4903 2.1771 4.5384 2.0397 3.6246 5.0882 3.1088 3.3847 4.1777 1.6276 1.4623 2.3778 2.0289 4.5609 3.1131 5.1073 5.3995 4.1462 5.0460 3.6517 2.7511 2.4368 1.1266 5.0059 4.3437 3.1523 3.4403 5.3922 3.0331 3.5219 2.9107 1.8825 2.3077 3.7876 3.3956 2.1888 2.8212 3.1281 2.2982 4.2569 4.7300 6.4598 4.4988 5.3399 5.4867 3.8576 3.5181 3.4690 5.8601 5.6828 10.7986 4.5879 5.4248 3.7484 1.1101 4.3762 4.2583 1.2790 1.5962 1.5664 1.6725 2.6355 1.5452 3.6231 2.2626 3.1876 2.6923 1.5157 1.3797 3.2473 1.3529 2.6266 2.2582 2.3865 2.2776 2.9965 4.4770 1.7013 2.1078 2.6143 2.3453 4.7446 2.5654 2.4198 2.1968 2.8790 2.5742 2.3733 2.4798 1.2695 2.6004 1.2785 1.4608 1.3429 1.9365 1.5149 1.0997 1.6280 1.5693 2.6441 1.9520 2.8824 1.4211 2.4405 1.1027 3.1222 2.0215 1.5870 1.3818 1.5735 1.4811 1.6294 3.7525 1.6254 1.3145 1.4304 1.2452 2.3217 1.4866 1.4728 2.8874 1.3798 1.6557 2.3293 1.8339 1.0411 1.1992 1.2713 1.1232 1.5618 1.1832 1.0586 1.1091 1.0589 1.0480 1.1297 1.1081 1.0706 1.1278 1.1321 2.5319 3.0396 6.3204 5.9086 5.8870 5.5847 8.3434 11.2560 6.7510 1.0749 1.0744 1.0744 1.0711 1.0716 1.0346 1.0486 1.0447 1.0850 1.0353 1.1091 1.0917 1.1068 1.0917 1.0866 1.0913 1.1028 1.1056 1.1015 1.0876 1.1088 1.1091 1.0898 1.0895 1.0896 1.0955 1.0959 1.0938 1.0914 1.0777 1.0792 1.0657
0.0002 0.0003 0.0005 0.0015 0.0032 0.0059 0.0060 0.0053 0.0092 0.0103 0.0151 0.0282 0.0220 0.0114 0.0298 0.0327 0.0625 0.0619 0.0403 0.0869 0.0462 0.0878 0.1443 0.1052 0.1235 0.1548 0.0731 0.0679 0.1136 0.1045 0.2699 0.1895 0.3628 0.3862 0.3196 0.4193 0.3163 0.2572 0.2559 0.1213 0.5923 0.5367 0.4052 0.4583 0.7599 0.4743 0.5614 0.4814 0.3234 0.4144 0.7257 0.6790 0.4904 0.6379 0.7175 0.5593 1.1123 1.2578 1.8719 1.3152 1.6663 1.8469 1.4404 1.3162 1.3497 2.4291 2.3965 4.6587 2.0833 2.5017 1.7740 0.5312 2.1403 2.1121 0.6423 0.8349 0.8328 0.8940 1.4854 0.9094 2.2042 1.4096 1.9913 1.7529 1.0077 0.9302 2.2213 0.9566 1.8998 1.6493 1.7664 1.7790 2.3851 3.7128 1.4189 1.7908 2.2275 2.0590 4.2419 2.3320 2.2126 2.0504 2.7056 2.4329 2.2684 2.4214 1.2535 2.5689 1.2653 1.4530 1.3361 1.9962 1.5829 1.1658 1.7278 1.6771 2.8842 2.1529 3.3288 1.6627 2.9083 1.3329 3.7781 2.4595 1.9501 1.7264 2.0033 1.9337 2.1377 4.9810 2.1702 1.7631 1.9956 1.7580 3.3127 2.1339 2.1515 4.2516 2.0503 2.4904 3.5701 2.8511 1.6294 1.8801 1.9953 1.7760 2.4812 1.8807 1.6890 1.7733 1.6962 1.6825 1.8203 1.8001 1.7410 1.8483 1.8849 4.2955 5.1951 11.7602 11.3731 11.4510 10.9676 17.2674 25.5033 15.6682 6.1742 6.1898 6.2337 6.2443 6.2820 6.2619 6.3707 6.3724 6.7551 6.4533 6.9155 6.8600 6.9567 6.8643 6.8439 6.9055 7.0039 7.0658 7.1772 7.1246 7.2717 7.3124 7.3038 7.3051 7.3280 7.4363 7.4411 7.4642 7.4854 9.4951 9.6309 10.4893
0.0586 0.3226 0.5086 0.3148 0.5817 1.6535 0.4870 0.3319 1.8983 0.2915 1.8106 2.8750 4.1094 1.2613 0.6848 0.3814 0.3579 0.2011 3.0151 0.9698 1.7507 0.2812 0.9111 3.3667 0.2163 1.6724 0.7549 1.3251 1.9607 1.5510 9.2275 4.9406 7.5912 3.7050 17.1688 2.9103 3.6918 1.1884 4.1208 119.4045 14.7658 1.2571 3.2726 2.7318 11.2718 7.2585 7.3702 4.8847 9.4108 9.8428 14.0029 28.2808 87.7680 2.1764 32.8116 51.6731 25.6780 7.9519 0.5064 3.8892 30.8493 0.9788 7.7837 5.0681 3.8842 9.6017 83.9126 51.8161 16.6579 3.3959 4.9585 0.8408 12.1355 61.2759 7.2220 31.5524 8.1677 39.1886 2.7517 19.6854 28.1241 33.5500 5.4079 25.1172 8.4592 3.6198 15.3404 0.2369 7.1080 34.6895 19.6723 6.0172 57.2508 72.7132 1.0441 23.4960 18.5186 35.6139 117.5266 4.2299 53.8727 14.4849 46.2694 18.1673 40.6231 13.0460 2.5893 130.5762 2.9325 1.3534 13.9770 22.9747 8.5104 23.6821 141.5973 10.8539 134.3367 115.6350 193.1637 4.7719 311.1761 4.9562 233.5588 239.7598 52.9226 15.3698 10.7840 7.0317 46.1420 237.1219 150.7402 5.9385 87.5597 4.0828 104.1743 66.8657 8.2780 0.8209 48.7225 7.3272 53.6269 125.4154 3.9469 43.7822 21.0412 9.4929 38.9075 31.1117 2.6239 2.2887 5.9603 4.1768 20.2140 39.3902 10.4747 16.3785 29.4892 294.4804 242.1900 19.1052 37.2572 22.3249 18.8944 197.0143 600.4108 783.2713 9.4730 48.4339 63.4634 47.4911 117.6612 52.3982 31.2263 21.6134 31.3202 51.6594 23.4195 55.8204 63.2189 33.0653 12.1254 27.6250 36.7038 54.6556 49.7742 9.2739 31.2260 24.8379 14.4081 10.0955 16.4051 10.3511 11.3256 13.3703 3.0729 58.0041 93.3295 148.9068
1.0516 3.6890 2.1500 0.2538 1.2189 3.8252 1.4006 1.5280 1.0723 0.3629 0.7038 0.2847 0.9164 0.1623 1.0013 0.5891 0.8403 1.1212 0.1044 1.1221 0.1174 0.3842 0.2773 1.5931 1.7077 1.2149 0.3866 0.8099 0.3131 0.1725 1.7470 2.1409 1.4137 1.6608 1.0520 1.6568 0.6858 0.4193 0.5720 1.5010 1.0033 3.3805 1.0755 0.6528 0.5161 1.6356 0.8021 1.4067 2.5160 3.2704 0.8115 1.9961 1.4239 0.7829 2.8997 1.0715 3.2733 0.9399 5.5139 5.2154 1.6352 2.0199 1.0278 1.3659 1.7815 8.7368 3.4640 0.7506 39.2511 6.0152 18.1238 0.8014 10.0155 16.2600 2.2000 4.1665 3.1516 1.3244 3.7879 1.4604 1.7990 3.9041 0.6810 4.5404 2.4478 1.7618 8.9101 0.4223 0.2592 3.8913 4.6634 21.4514 7.1363 3.4140 0.2543 3.0081 3.7818 6.3821 0.4068 6.9275 3.6046 1.4727 3.2292 2.4500 9.6593 6.7117 4.6723 4.2806 5.0730 0.6770 5.1699 9.6574 8.0559 11.3142 5.4659 4.1246 8.8792 6.1888 2.8323 3.8740 10.3307 12.7080 15.6627 4.8468 14.9511 4.6996 5.2150 27.2841 12.7470 7.9925 5.2025 3.6662 2.9361 1.7783 4.1229 1.3058 4.3595 4.1907 5.0184 2.4863 0.8653 13.0497 21.6645 6.2618 3.4029 9.2450 19.1062 21.4950 19.6418 2.7494 8.9666 26.0673 1.0335 5.6773 14.2224 23.8045 5.0297 1.2914 4.1108 3.3416 23.7754 52.1210 88.6185 98.7240 19.0323 12.8741 5.0554 24.5406 196.5111 16.0908 15.8187 107.7377 14.8776 171.1586 41.8186 126.3324 68.0896 43.0343 38.5426 127.6698 41.3798 80.7038 81.7816 36.4326 155.8973 43.4704 42.7199 58.3188 41.6799 37.3852 44.1700 118.3240 131.7432 106.3472 42.9717 68.3320 66.4740 67.1642
0.7345 0.7423 0.7487 0.7461 0.7245 0.7327 0.7023 0.7116 0.5980 0.7041 0.7328 0.7356 0.7378 0.6333 0.5963 0.6593 0.2202 0.6700 0.5034 0.7056 0.5871 0.7489 0.3251 0.3309 0.4929 0.5992 0.3305 0.2850 0.4979 0.6826 0.4557 0.2243 0.1077 0.2370 0.1899 0.6980 0.4271 0.3626 0.5042 0.7490 0.7329 0.7430 0.0250 0.0880 0.1707 0.6807 0.5616 0.6926 0.7439 0.1445 0.1357 0.6058 0.6896 0.7145 0.5595 0.6314 0.7489 0.2655 0.7311 0.6759 0.5569 0.3720 0.2323 0.2930 0.6573 0.2291 0.7017 0.7487 0.1096 0.2133 0.1348 0.2461 0.1160 0.2311 0.7071 0.2999 0.5929 0.4098 0.7189 0.4638 0.4926 0.2855 0.6288 0.4313 0.6809 0.4003 0.1589 0.5223 0.4354 0.5047 0.4489 0.4376 0.5517 0.6981 0.5899 0.1610 0.6343 0.2519 0.7500 0.1656 0.2898 0.4970 0.3355 0.3090 0.5953 0.3187 0.7493 0.1653 0.7475 0.1423 0.2245 0.7197 0.3634 0.5644 0.2296 0.4687 0.2165 0.1678 0.4076 0.4519 0.6493 0.7432 0.1427 0.0883 0.5860 0.6252 0.3599 0.4993 0.4411 0.3331 0.1441 0.7041 0.3572 0.3091 0.4782 0.2766 0.5513 0.2255 0.6957 0.2657 0.6425 0.3671 0.7475 0.6867 0.7491 0.6746 0.6460 0.7319 0.7216 0.7463 0.7398 0.7496 0.6884 0.6313 0.5271 0.7480 0.5668 0.7470 0.1557 0.7473 0.4624 0.5978 0.4614 0.2465 0.2716 0.1699 0.7160 0.2926 0.1772 0.4069 0.2302 0.0269 0.7217 0.0138 0.7400 0.0493 0.7248 0.4027 0.7073 0.3684 0.1853 0.2144 0.7341 0.7480 0.4763 0.2473 0.7424 0.7465 0.6548 0.7246 0.6561 0.2037 0.2025 0.1624 0.1994 0.3036 0.2140 0.2551
0.8469 0.8521 0.8563 0.8546 0.8402 0.8458 0.8251 0.8315 0.7484 0.8264 0.8458 0.8476 0.8491 0.7755 0.7471 0.7947 0.3609 0.8024 0.6697 0.8274 0.7398 0.8564 0.4907 0.4973 0.6603 0.7493 0.4968 0.4436 0.6648 0.8114 0.6261 0.3664 0.1945 0.3832 0.3192 0.8222 0.5986 0.5323 0.6704 0.8565 0.8459 0.8525 0.0488 0.1618 0.2916 0.8100 0.7193 0.8184 0.8532 0.2525 0.2389 0.7545 0.8163 0.8334 0.7175 0.7740 0.8564 0.4196 0.8447 0.8066 0.7154 0.5423 0.3770 0.4532 0.7932 0.3728 0.8247 0.8563 0.1975 0.3516 0.2375 0.3951 0.2078 0.3754 0.8284 0.4614 0.7444 0.5814 0.8364 0.6336 0.6600 0.4441 0.7721 0.6027 0.8102 0.5717 0.2742 0.6862 0.6067 0.6708 0.6196 0.6088 0.7111 0.8222 0.7421 0.2774 0.7762 0.4024 0.8571 0.2842 0.4494 0.6640 0.5025 0.4721 0.7463 0.4834 0.8567 0.2837 0.8555 0.2491 0.3667 0.8370 0.5331 0.7216 0.3735 0.6382 0.3560 0.2874 0.5791 0.6225 0.7874 0.8527 0.2497 0.1623 0.7389 0.7694 0.5293 0.6661 0.6122 0.4997 0.2520 0.8263 0.5264 0.4723 0.6470 0.4333 0.7107 0.3680 0.8205 0.4198 0.7824 0.5371 0.8555 0.8142 0.8566 0.8057 0.7850 0.8452 0.8383 0.8547 0.8505 0.8569 0.8155 0.7740 0.6903 0.8558 0.7235 0.8552 0.2695 0.8554 0.6324 0.7483 0.6315 0.3955 0.4271 0.2904 0.8345 0.4527 0.3010 0.5785 0.3742 0.0524 0.8383 0.0271 0.8506 0.0939 0.8405 0.5741 0.8286 0.5384 0.3126 0.3530 0.8467 0.8559 0.6452 0.3966 0.8522 0.8548 0.7914 0.8403 0.7923 0.3384 0.3368 0.2794 0.3324 0.4658 0.3526 0.4065
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
6 6 8 6 6 6 6 6 6 8 6 1 6 6 7 6 8 7 6 7 6 6 7 6 6 6 6 6 6 6 6 8 6 6 8 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
12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 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
8255.4445 46715.2901 51016.5602
0.99999 0.00388 0.00145 -0.00390 0.99983 0.01789 -0.00139 -0.01790 0.99984
1
0.01049 0.00185 0.00170
0.21861 0.03863 0.03538
10.55 16.11 20.66 28.49 46.10 62.81 70.02 77.16 83.37 88.86 99.62 122.86 133.20 150.53 158.38 177.15 215.12 220.15 255.10 259.45 282.04 291.65 315.64 344.84 358.01 360.82 397.29 403.87 409.77 425.43 455.95 462.44 499.60 501.29 520.38 540.34 551.66 573.18 607.36 615.09 644.75 658.86 672.06 684.16 703.66 741.24 748.36 762.29 776.94 794.27 820.50 838.22 887.25 891.29 897.70 924.70 958.16 966.60 1009.03 1013.50 1047.08 1087.51 1145.39 1146.50 1169.19 1206.81 1217.25 1231.17 1263.10 1272.91 1289.51 1296.63 1310.86 1320.11 1328.34 1355.68 1366.71 1370.40 1407.21 1437.94 1462.01 1479.46 1481.51 1512.48 1528.36 1539.13 1550.29 1576.22 1594.14 1601.92 1612.62 1656.60 1672.31 1706.98 1711.82 1727.75 1730.21 1756.30 1772.34 1787.11 1792.37 1810.89 1817.09 1822.25 1832.53 1852.23 1862.62 1863.06 1864.73 1869.42 1869.65 1903.07 1916.07 1929.95 1931.01 1937.77 1957.67 1968.57 2014.35 2027.51 2046.22 2060.82 2061.92 2067.53 2077.81 2095.14 2115.00 2141.75 2146.96 2159.56 2165.90 2170.84 2214.00 2227.25 2239.04 2245.76 2265.54 2274.52 2284.96 2298.86 2320.58 2337.14 2344.97 2347.03 2348.27 2356.98 2362.52 2363.23 2367.72 2370.14 2372.33 2375.03 2379.42 2389.05 2390.35 2399.58 2418.61 2441.50 2450.50 2556.83 2600.54 2614.23 2626.79 2696.57 2821.47 2855.57 4492.27 4499.19 4515.02 4525.75 4538.31 4611.51 4620.12 4629.47 4677.03 4679.85 4680.58 4698.76 4699.24 4700.17 4704.24 4715.15 4723.78 4738.51 4784.69 4797.51 4800.24 4813.00 4852.66 4853.68 4861.00 4883.55 4884.20 4896.62 4908.94 5563.84 5599.39 5880.72
0.608461
0.640892
0.641836
0.538362
-1669.561319
-1669.528888
-1669.527944
-1669.631418
3.470535D-04
MUNgauss
RevisionA2.0
retrievium
05-Feb-2020
DUDE CCOc1cc(ccc1O)[C@@H]2C(=C(NC(=O)N2)CN3CCN(CC3)c4ccc(cc4)OC)C(=O)OC C67285730
RHF
6-31G(d)
(6D,10F)
C1
496.232185
|X|Y|Z|
155.424665 60.490053 35.910420
69.631881
25
|36.858105|
|12.575668|36.858105|
|8.068520|13.526700|73.516695|
|5.213546|7.950394|24.931210|36.858105|
|4.377407|6.642622|13.905758|13.805332|36.858105|
|3.321346|4.471213|9.180812|7.905596|13.661972|36.858105|
|2.976193|3.780822|8.220695|6.888583|7.963306|13.772190|36.858105|
|3.202168|3.978980|9.435703|7.949162|6.888534|7.911886|13.727989|36.858105|
|4.093856|5.250871|14.630749|13.653516|7.926310|6.834988|7.944758|13.826599|36.858105|
|4.073538|4.705984|12.815507|7.995482|5.237856|4.606360|5.250978|8.073196|14.127059|73.516695|
|2.828174|3.648565|6.830488|5.012544|7.550989|12.464003|7.484889|4.985181|4.414560|5.979562|36.858105|
|2.992385|3.910820|6.923158|4.837898|7.429459|8.975830|5.628625|4.213559|4.014273|5.580461|17.619056|0.500000|
|2.553235|3.183473|5.873038|4.098987|5.510967|7.509031|5.816759|4.212747|3.741891|5.294168|12.521296|0.250464|36.858105|
|2.178667|2.621267|4.877546|3.315593|4.109479|5.426516|4.935221|3.700627|3.193875|4.679218|7.653586|0.164864|14.282859|36.858105|
|2.023900|2.407988|4.538716|3.085073|3.728591|5.011815|4.910752|3.657258|3.062997|4.527873|6.788644|0.145846|8.112203|13.768654|53.358707|
|2.097101|2.512892|4.758424|3.266138|3.995703|5.500187|5.336905|3.883231|3.233107|4.730743|7.598194|0.162936|6.716752|7.786479|18.809906|36.858105|
|1.908000|2.240868|4.245863|2.848416|3.335550|4.311288|4.399111|3.427857|2.875934|4.329798|5.283503|0.123961|4.721404|5.402730|11.538256|15.871637|73.516695|
|2.423373|2.995555|5.647287|3.983521|5.246880|7.697673|6.391280|4.416555|3.763244|5.313912|13.092389|0.257617|7.825031|6.979337|11.305486|14.131845|15.020043|53.358707|
|1.948035|2.279807|4.195131|2.747152|3.232015|3.911860|3.713216|3.020801|2.676236|4.069231|4.833595|0.116219|7.464523|12.527892|10.655818|5.086873|7.277035|6.136188|36.858105|
|1.873291|2.171190|3.886968|2.478597|2.914468|3.352789|3.068806|2.568352|2.357040|3.633420|4.187189|0.108806|6.035825|7.717912|7.590977|4.167478|6.192975|5.285549|13.161707|53.358707|
|1.718696|1.951930|3.485942|2.177794|2.479224|2.761217|2.591828|2.250453|2.091787|3.295474|3.233360|0.085244|4.304467|5.078677|5.533499|3.212215|4.995038|4.102023|7.936847|17.847173|36.858105|
|1.640776|1.842426|3.229808|1.978969|2.241055|2.423976|2.243127|1.978385|1.876615|2.986248|2.822809|0.077290|3.552480|3.896457|4.443139|2.739189|4.343065|3.590678|5.091324|10.620293|12.523847|36.858105|
|1.551430|1.739170|3.042821|1.863655|2.117470|2.301659|2.128199|1.869229|1.767895|2.815056|2.725439|0.075393|3.308808|3.673490|4.408722|2.772682|4.475433|3.589985|4.526405|9.129696|7.846865|13.144649|53.358707|
|1.661849|1.888292|3.296958|2.040546|2.368346|2.609927|2.367032|2.037754|1.917920|3.014695|3.225122|0.090232|3.923433|4.372736|5.252262|3.316745|5.272338|4.302455|5.070360|10.604426|6.720320|7.958426|17.813803|36.858105|
|1.745942|2.010623|3.577264|2.265011|2.661134|3.053287|2.793441|2.342506|2.152896|3.338406|3.895761|0.104018|5.038612|6.318929|7.411828|4.288490|6.592894|5.291034|7.869630|17.834401|7.954463|6.712192|10.632643|12.529023|36.858105|
|1.442671|1.596805|2.770496|1.672800|1.878311|2.003584|1.856034|1.655620|1.583919|2.549177|2.326318|0.065355|2.711645|2.910211|3.590454|2.343380|3.855034|3.077756|3.386139|6.123874|5.092057|7.787087|18.199676|7.866860|5.105747|36.858105|
|1.323473|1.456048|2.537213|1.529182|1.704088|1.821632|1.706345|1.529671|1.459108|2.361865|2.099698|0.058779|2.386092|2.582466|3.304795|2.191212|3.684659|2.843948|2.940886|5.007272|4.013223|5.217264|10.705942|6.015435|4.334067|13.636990|36.858105|
|1.238207|1.349382|2.340894|1.397460|1.543457|1.630325|1.530349|1.386755|1.332954|2.174285|1.851980|0.052204|2.061963|2.190240|2.826513|1.910949|3.242328|2.506792|2.433721|3.990345|3.161320|3.964368|7.015668|4.324091|3.329649|7.886186|13.861994|36.858105|
|1.243761|1.347909|2.320678|1.374060|1.512053|1.577248|1.473124|1.343716|1.303436|2.133413|1.776064|0.050475|1.970580|2.052209|2.615337|1.778515|2.998753|2.369306|2.260921|3.692508|2.939507|3.751814|6.133993|3.810387|2.964847|6.794879|7.932905|13.659564|36.858105|
|1.339089|1.454840|2.491098|1.472923|1.626805|1.687793|1.563523|1.424383|1.387872|2.265047|1.903124|0.054343|2.137787|2.201072|2.745099|1.853642|3.083312|2.494668|2.440719|4.069702|3.287821|4.431685|6.916688|4.165816|3.173549|7.869190|6.898273|7.956216|13.789419|36.858105|
|1.450804|1.593743|2.736230|1.632713|1.822303|1.907555|1.756648|1.583666|1.534752|2.483350|2.181682|0.062075|2.514107|2.609424|3.187414|2.112759|3.466584|2.835089|2.963917|5.191562|4.299350|6.487221|10.470001|5.660757|4.029614|13.789807|8.005272|6.910052|7.929176|13.666464|36.858105|
|1.157790|1.244742|2.140905|1.259641|1.375229|1.425593|1.337477|1.229652|1.197495|1.972621|1.587631|0.045176|1.735239|1.795101|2.311447|1.590640|2.704263|2.125760|1.949287|3.097820|2.435771|2.971714|4.652774|3.022565|2.461734|4.589057|5.296626|8.187879|14.105073|7.863260|5.187908|73.516695|
|1.144874|1.222776|2.092028|1.221731|1.327084|1.362206|1.275861|1.180669|1.158080|1.915650|1.503219|0.042966|1.634000|1.668731|2.137706|1.478726|2.507581|1.995528|1.797561|2.828654|2.219382|2.683051|4.016294|2.647367|2.198208|3.775699|3.990339|5.259108|8.020471|6.724753|4.508751|24.229658|36.858105|
|2.768419|3.462067|6.142032|4.106110|5.392893|6.052434|4.687536|3.761075|3.586940|5.185227|7.570725|0.200456|12.858777|7.629073|6.917618|4.421873|6.150165|6.907419|6.166057|7.876558|4.448669|3.809643|4.589646|3.851875|4.534348|2.796609|2.396096|2.086416|2.036706|2.260983|2.679958|3.180353|1.704882|36.858105|
|3.121720|3.992976|6.693849|4.319582|5.800283|5.706478|4.231701|3.536068|3.557172|5.177762|6.764609|0.212610|8.106187|5.394482|5.556789|3.825439|5.499906|6.236048|4.524995|6.191543|3.701788|3.401385|4.189270|3.514543|3.863478|2.646859|2.275790|2.015242|1.995548|2.226784|2.602135|3.139334|1.700456|15.946867|73.516695|
|2.527447|3.040768|5.459879|3.543665|4.251141|4.659119|4.031585|3.407647|3.239709|4.847323|5.211508|0.134371|8.043235|6.622054|6.117285|3.737762|5.402627|5.410106|6.702154|8.490378|5.230832|4.266138|4.800108|3.786621|4.427392|2.890370|2.443194|2.119113|2.076270|2.325510|2.783384|3.229339|1.733830|14.404853|15.354865|73.516695|
|2.560117|2.999342|5.218009|3.215935|3.684029|3.730336|3.271405|2.926053|2.904166|4.491832|3.961505|0.108326|5.187355|4.465928|4.598573|2.946138|4.428076|4.281782|4.691763|6.564220|4.569239|4.098471|4.499184|3.394697|3.657882|2.816764|2.357290|2.080450|2.085718|2.379302|2.827417|3.258488|1.776411|8.171738|12.972818|23.923189|36.858105|
|17.572702|8.858531|12.910753|4.869390|4.004839|3.127818|2.874569|3.148543|4.028351|7.409194|2.655651|0.076535|2.459801|2.118999|2.665227|2.001119|3.238433|3.099064|1.920234|2.503897|1.705720|1.623467|2.072071|1.614655|1.698266|1.415016|1.296282|1.213058|1.220194|1.315728|1.425602|2.020027|1.125312|2.692894|5.308233|4.482548|2.590355|0.500000|
|17.573081|8.858218|12.924231|4.849358|3.996827|3.116867|2.860237|3.129261|4.001609|7.354148|2.647972|0.077220|2.359838|2.041709|2.626235|2.022263|3.310507|3.167071|1.821990|2.374792|1.600967|1.526854|1.980297|1.559864|1.641753|1.356332|1.253512|1.175573|1.177225|1.259304|1.358341|1.955070|1.086027|2.490987|4.899033|4.046965|2.272781|0.300702|0.500000|
|17.557421|8.880538|10.241607|4.229001|3.828417|2.991337|2.652099|2.774260|3.389407|5.902120|2.648939|0.079196|2.419587|2.072948|2.613767|1.983688|3.216629|3.107885|1.870350|2.485572|1.682778|1.626682|2.099305|1.650231|1.711841|1.445198|1.324767|1.245175|1.257693|1.357312|1.464149|2.086341|1.165769|2.653239|5.402469|4.310917|2.495807|0.300609|0.300615|0.500000|
|8.837685|17.558696|16.546234|7.128880|6.771069|4.600620|3.776753|3.832442|4.819298|7.473959|3.863251|0.116186|3.492870|2.820017|3.431133|2.576766|4.027878|4.171769|2.468704|3.226116|2.130799|2.014122|2.558423|2.037242|2.162791|1.718911|1.551356|1.432715|1.436466|1.563699|1.724568|2.346667|1.298275|4.007749|8.553873|6.237582|3.542380|0.211922|0.173254|0.212267|0.500000|
|8.847622|17.552728|16.546014|7.053790|6.721652|4.560916|3.740708|3.793930|4.767858|7.410477|3.836758|0.118538|3.221470|2.643960|3.347450|2.620803|4.166742|4.339067|2.269013|2.962501|1.936115|1.837796|2.391193|1.930129|2.049095|1.616633|1.479482|1.372022|1.367767|1.471456|1.609245|2.246568|1.239043|3.418563|7.097793|5.198377|2.836964|0.173345|0.212060|0.212634|0.301084|0.500000|
|4.656698|7.370960|12.459124|8.932004|17.767227|8.934624|5.669431|4.964064|5.639001|7.507753|7.076978|0.230174|5.349451|3.925607|4.755826|3.716471|5.540474|6.658145|3.142563|4.005870|2.500413|2.306710|2.975528|2.462826|2.709846|1.951637|1.760090|1.598262|1.575674|1.705393|1.910657|2.545337|1.386367|5.646475|12.165685|7.625184|3.838232|0.114483|0.114487|0.117577|0.225100|0.224801|0.500000|
|2.549033|3.123860|6.520960|4.960704|5.647232|8.907822|17.723250|8.956724|5.664887|7.552642|6.907322|0.140762|5.811288|5.474379|8.075486|6.462057|9.441853|9.362841|4.049353|4.390433|2.704239|2.300992|2.992309|2.449481|2.959098|1.901483|1.759085|1.568428|1.496193|1.578212|1.777090|2.410035|1.285042|4.389506|6.791951|6.907781|3.101216|0.068794|0.068473|0.064198|0.087293|0.086570|0.124317|0.500000|
|2.816465|3.333676|7.647457|5.664076|4.961476|5.625974|8.860851|17.733250|9.010628|13.157373|4.059183|0.096553|3.599490|3.328660|4.594194|3.544741|5.763620|5.189745|2.806600|3.237089|2.117236|1.858321|2.394882|1.898990|2.180577|1.564062|1.455397|1.322790|1.278693|1.348455|1.492478|2.087202|1.126488|3.219457|5.333719|5.365019|2.624078|0.078026|0.077542|0.068424|0.089087|0.088293|0.107735|0.214815|0.500000|
|4.927528|5.501961|15.941828|7.991072|5.072419|4.199561|4.449922|6.065165|10.113616|35.677426|3.155193|0.084076|2.803959|2.458236|3.206363|2.456685|3.999713|3.781957|2.156442|2.663784|1.783780|1.634156|2.096409|1.646540|1.802485|1.403422|1.298657|1.200458|1.183691|1.259524|1.376403|1.950120|1.069554|2.815101|5.117707|4.670869|2.487313|0.142155|0.141219|0.107001|0.130715|0.129868|0.118591|0.101308|0.151359|0.500000|
|1.834002|2.142822|4.029115|2.682077|3.133419|4.009227|4.065167|3.196922|2.700798|4.094185|5.013921|0.115092|5.870465|9.209375|26.076545|9.518508|14.061482|8.188075|7.473353|7.354173|4.106597|3.264603|4.482386|3.852386|5.516058|2.673352|2.500795|2.126143|1.942120|2.016226|2.334784|3.050712|1.575349|4.180385|6.119432|6.955260|3.047599|0.049551|0.048796|0.048525|0.062054|0.060564|0.082116|0.136076|0.084409|0.059280|0.500000|
|2.446141|3.010361|5.689104|3.971994|5.085698|6.901232|5.942257|4.340173|3.760892|5.358765|9.038738|0.217089|5.679123|5.115330|8.173472|9.666226|13.950483|26.030841|3.651565|4.416976|2.610695|2.336770|3.206055|2.788752|3.300451|2.061581|1.927133|1.720073|1.631036|1.707011|1.914374|2.624824|1.391053|4.166427|7.042565|5.964140|2.765399|0.063145|0.066205|0.063922|0.083426|0.090822|0.131806|0.171318|0.104729|0.078057|0.133859|0.500000|
|1.782709|2.060066|3.820320|2.486952|2.859062|3.455071|3.421072|2.827724|2.475443|3.817433|4.131551|0.099514|5.620214|8.935041|10.635570|5.005179|7.551400|5.640286|17.418730|12.291610|6.868561|4.567708|5.810427|4.653817|7.160950|3.241315|2.913257|2.407667|2.200022|2.327545|2.783927|3.390076|1.744856|4.607361|6.437651|8.715244|3.743140|0.048877|0.046774|0.047498|0.061057|0.057080|0.076413|0.106872|0.074724|0.055919|0.249983|0.095412|0.500000|
|2.000267|2.332856|4.323554|2.823519|3.256569|3.862754|3.737763|3.115818|2.773919|4.240832|4.445449|0.107149|6.716912|8.954785|8.182576|4.279027|6.261200|5.392258|17.679553|12.568177|7.544291|4.832413|5.486549|4.226960|5.713204|3.114845|2.692455|2.267402|2.140725|2.331208|2.809371|3.304576|1.732877|6.294407|8.076160|14.287658|5.452799|0.055407|0.051672|0.053111|0.070757|0.063415|0.087068|0.111234|0.080754|0.062354|0.158225|0.091311|0.303056|0.500000|
|1.589657|1.791308|3.227009|2.014408|2.262853|2.535265|2.438179|2.133002|1.965069|3.121782|2.924388|0.076284|3.750682|4.566036|5.332154|3.090128|4.926833|3.834448|7.035376|12.250720|17.424309|8.887048|9.579429|5.835466|7.044164|4.800219|4.037812|3.164605|2.866968|3.101279|3.922165|4.256227|2.157170|3.695691|5.550280|7.508205|3.713832|0.043892|0.041450|0.043121|0.053695|0.049389|0.062668|0.071776|0.056521|0.046740|0.115266|0.068431|0.200824|0.183538|0.500000|
|1.785468|2.024883|3.629342|2.262646|2.550123|2.811158|2.655429|2.332525|2.178863|3.442423|3.190683|0.083580|4.278181|4.842535|5.163417|3.027179|4.687276|3.936575|7.334425|12.520478|17.567277|8.903972|7.714269|5.008382|5.728046|4.177413|3.366386|2.770381|2.647295|2.986676|3.788433|3.975895|2.078039|4.667172|6.817134|10.742509|5.440859|0.049656|0.045944|0.048406|0.061886|0.055101|0.071051|0.076188|0.060977|0.051781|0.104373|0.069841|0.170342|0.234947|0.300532|0.500000|
|1.535895|1.704286|2.992750|1.817291|2.024090|2.167976|2.034933|1.823398|1.736619|2.795288|2.460207|0.067206|3.016394|3.281936|3.845544|2.405000|3.874121|3.148114|4.202502|7.685947|8.892823|17.583645|12.516253|5.725073|4.999053|7.264555|5.117828|4.024591|3.875204|4.595408|6.496740|5.472727|2.789588|3.235321|5.213481|6.523317|3.657965|0.042461|0.039787|0.042345|0.051567|0.046976|0.057584|0.057942|0.047990|0.042562|0.079345|0.057632|0.109095|0.115502|0.217799|0.213041|0.500000|
|1.754809|1.975589|3.420348|2.082719|2.372048|2.522620|2.291277|2.025239|1.946122|3.089059|2.935444|0.081932|3.698110|3.845188|4.285308|2.691355|4.222440|3.631843|4.743323|9.569741|8.932819|17.444721|12.222484|7.068131|5.854258|6.687194|4.528100|3.644385|3.623635|4.475824|6.570887|5.162756|2.692810|4.206978|6.849428|8.403476|4.791140|0.048190|0.045007|0.048597|0.060689|0.054670|0.068837|0.064228|0.052350|0.047252|0.085022|0.065773|0.113124|0.128282|0.174496|0.219347|0.300568|0.500000|
|1.565859|1.767996|3.086630|1.901802|2.192456|2.409637|2.201845|1.906295|1.794612|2.836640|2.956565|0.083232|3.427210|3.800437|4.844166|3.170712|5.191488|4.077269|4.188714|7.688046|5.013934|5.726865|12.474925|17.599040|8.913563|7.365831|6.667253|4.750421|3.983195|4.112126|5.220647|5.643477|2.718265|3.280910|5.438709|5.628347|2.865381|0.042105|0.041113|0.043276|0.052436|0.050550|0.063255|0.063527|0.049609|0.043062|0.100362|0.074797|0.111960|0.097989|0.131000|0.109826|0.127998|0.143482|0.500000|
|1.777924|2.030041|3.494366|2.151535|2.523803|2.735134|2.421587|2.085057|1.988121|3.112843|3.410088|0.098557|4.120973|4.299155|5.018644|3.257927|5.104054|4.408515|4.689700|9.462249|5.821414|7.070185|12.264361|17.444172|8.876876|6.804942|5.091957|3.961643|3.703678|4.218129|5.726013|5.280408|2.667556|4.237426|7.122294|7.187293|3.699405|0.047762|0.046068|0.049356|0.061373|0.057893|0.074355|0.068379|0.053411|0.047525|0.098438|0.079616|0.114220|0.111942|0.133474|0.130539|0.143776|0.208675|0.301345|0.500000|
|1.838290|2.141031|3.809814|2.437625|2.922804|3.416045|3.063159|2.514675|2.299417|3.523852|4.605194|0.123623|5.801753|7.214604|8.861079|5.265627|7.861688|6.483283|7.204366|12.472540|5.721769|5.012071|7.701777|8.929436|17.582691|4.200703|3.710039|2.976905|2.684436|2.847617|3.487330|4.044654|2.051412|4.833307|7.394827|7.757571|3.531355|0.049220|0.048144|0.049969|0.063633|0.061342|0.082966|0.090333|0.064380|0.052760|0.173779|0.109997|0.179620|0.144874|0.143063|0.128037|0.109721|0.131493|0.213634|0.218796|0.500000|
|1.613532|1.840725|3.306798|2.089789|2.411218|2.776481|2.620155|2.219412|2.021276|3.163929|3.431690|0.090037|4.252106|5.495576|7.139294|4.114403|6.609266|4.846453|7.013475|12.274284|7.047233|5.809321|9.506691|8.888184|17.410984|4.797910|4.376372|3.337812|2.886317|2.993071|3.693512|4.295733|2.133344|3.752605|5.736122|6.657421|3.146864|0.043743|0.042450|0.043816|0.054437|0.051992|0.067211|0.078482|0.058265|0.047248|0.161333|0.085362|0.212142|0.145113|0.207268|0.143375|0.130102|0.133653|0.218801|0.173968|0.300517|0.500000|
|1.304009|1.438373|2.525016|1.531194|1.707048|1.844931|1.741791|1.554998|1.470884|2.377667|2.134777|0.059164|2.422104|2.677443|3.496391|2.307526|3.918886|2.941009|3.062080|5.126358|4.033338|4.852491|9.945339|6.032966|4.622663|8.929589|17.718990|8.960302|5.643105|4.965462|5.684104|7.607713|3.332886|2.374179|3.961243|4.284471|2.278541|0.035455|0.034433|0.036091|0.042364|0.040648|0.048613|0.050353|0.041252|0.036158|0.074800|0.055286|0.086488|0.076663|0.117504|0.092538|0.129887|0.113746|0.197338|0.133501|0.109343|0.138008|0.500000|
|1.167790|1.268160|2.206582|1.315859|1.446296|1.528831|1.444459|1.313642|1.260973|2.064391|1.726875|0.048545|1.899571|2.022778|2.652872|1.809568|3.106427|2.362259|2.224336|3.554367|2.777639|3.320633|5.687789|3.680955|2.973408|5.613448|8.912207|17.734032|8.948473|5.670132|4.972632|13.478674|4.872763|1.900702|3.265252|3.415488|1.876521|0.031767|0.030932|0.032591|0.037189|0.035867|0.041442|0.041238|0.034953|0.031638|0.055781|0.045328|0.061906|0.057576|0.078537|0.068272|0.093628|0.084877|0.114418|0.093491|0.075158|0.084541|0.214537|0.500000|
|1.334152|1.440044|2.451791|1.438411|1.580038|1.621925|1.500411|1.376533|1.351249|2.214749|1.809846|0.051928|2.017447|2.047439|2.546458|1.731828|2.878466|2.353377|2.244827|3.676270|2.950949|3.859729|5.632201|3.532158|2.796515|5.638566|4.968683|5.639137|8.884672|17.757496|8.944432|12.459641|7.437781|2.161608|3.833312|3.958576|2.322783|0.036473|0.034790|0.037742|0.043069|0.040373|0.046181|0.041799|0.036179|0.034350|0.051604|0.044941|0.059109|0.060324|0.076720|0.076536|0.111877|0.112465|0.095608|0.102189|0.070862|0.072835|0.107798|0.124239|0.500000|
|1.546656|1.702200|2.906485|1.730043|1.934787|2.009484|1.836433|1.657176|1.615386|2.608924|2.290700|0.065471|2.668877|2.720234|3.249346|2.146417|3.480618|2.916830|3.091198|5.456621|4.555493|7.072213|9.497371|5.400637|4.002480|8.919974|5.663432|4.972657|5.664351|8.965701|17.731225|7.459240|3.920497|2.936104|5.107082|5.495357|3.232454|0.042312|0.039959|0.043449|0.051639|0.047527|0.056679|0.051205|0.043171|0.040275|0.065253|0.054493|0.078739|0.082795|0.110209|0.115258|0.193504|0.230590|0.130298|0.162534|0.096823|0.098839|0.124448|0.107884|0.218695|0.500000|
|1.192929|1.274342|2.167041|1.262215|1.374827|1.404113|1.306306|1.207794|1.189462|1.964437|1.552878|0.044729|1.681276|1.700594|2.170078|1.508570|2.549228|2.052398|1.814581|2.864394|2.216810|2.683990|4.005940|2.701425|2.226350|3.728147|3.798203|4.766883|7.047293|6.728556|4.575646|16.443663|17.554367|1.764968|3.160469|3.167111|1.833500|0.032482|0.031380|0.033875|0.037650|0.035966|0.040138|0.036390|0.031889|0.030542|0.044117|0.039798|0.048515|0.048525|0.059043|0.057765|0.076102|0.076410|0.076892|0.077355|0.058237|0.059208|0.088198|0.119979|0.223420|0.113443|0.500000|
|1.079417|1.147964|1.966758|1.145885|1.238989|1.270199|1.194641|1.109875|1.089327|1.808631|1.394115|0.039798|1.502931|1.534826|1.982364|1.379560|2.353791|1.860039|1.642429|2.548688|1.985410|2.344044|3.490938|2.339172|1.981610|3.172000|3.414540|4.413727|5.881025|4.902263|3.613999|17.004999|17.642972|1.558654|2.766000|2.809523|1.614057|0.029472|0.028539|0.030534|0.033708|0.032334|0.035871|0.033440|0.029498|0.028061|0.040658|0.036195|0.044538|0.044029|0.054027|0.051875|0.067513|0.065028|0.067184|0.065165|0.051796|0.053848|0.082145|0.121254|0.145579|0.089155|0.299982|0.500000|
|1.146802|1.222563|2.093733|1.221208|1.322374|1.355237|1.272195|1.180597|1.159180|1.920989|1.487689|0.042371|1.627140|1.661248|2.114502|1.454206|2.457605|1.962515|1.804298|2.836471|2.263175|2.752061|4.003033|2.581856|2.164835|3.725666|3.797355|4.761334|7.038462|6.730264|4.570581|16.443234|17.553735|1.710855|3.025912|3.127573|1.819825|0.031436|0.030155|0.032417|0.036155|0.034246|0.038307|0.035559|0.031320|0.029801|0.043271|0.037902|0.048562|0.048754|0.061069|0.059467|0.081248|0.076925|0.072141|0.072181|0.055692|0.058320|0.088276|0.119934|0.223970|0.113270|0.298987|0.299999|0.500000|
|2.312649|2.642534|4.671303|2.855945|3.164243|3.245926|2.973297|2.709479|2.662423|4.203430|3.389254|0.090913|4.362225|4.040129|4.271487|2.704307|4.133511|3.817989|4.531296|6.274488|4.752899|4.189858|4.451576|3.219139|3.461382|2.793147|2.341513|2.068403|2.074183|2.364633|2.804561|3.243432|1.768927|5.955371|9.259208|16.934806|17.653843|0.065787|0.057629|0.062501|0.084765|0.069135|0.089364|0.079784|0.069002|0.064364|0.080681|0.068992|0.103315|0.153563|0.108744|0.169065|0.107806|0.132598|0.075698|0.094501|0.090247|0.084958|0.062904|0.051860|0.064164|0.088939|0.050275|0.044666|0.050779|0.500000|
|2.928564|3.453384|5.940758|3.593510|4.034839|3.870359|3.365362|3.091614|3.172724|4.919078|3.884239|0.107593|4.724799|3.929165|4.201845|2.781983|4.210653|4.135346|3.897336|5.272633|3.639680|3.336244|3.817312|2.905293|3.106803|2.454444|2.096211|1.879309|1.893290|2.140736|2.483546|2.997962|1.647738|7.215756|13.031975|16.441725|17.640657|0.083303|0.070815|0.078982|0.117208|0.088362|0.117750|0.086029|0.076178|0.076642|0.076958|0.075475|0.089426|0.123057|0.085629|0.116158|0.084446|0.106053|0.069954|0.087971|0.085388|0.075594|0.056393|0.047500|0.058637|0.077985|0.047387|0.041872|0.046810|0.298817|0.500000|
|2.452239|2.844599|4.820318|2.920800|3.373025|3.382617|2.927049|2.613174|2.609267|4.065971|3.723287|0.105817|4.751740|4.135659|4.337745|2.815070|4.265314|4.101742|4.367247|6.664661|4.679971|4.535821|4.945550|3.730728|3.821000|3.127149|2.558935|2.258350|2.291899|2.667830|3.214978|3.550790|1.942773|7.234790|12.844377|16.439876|17.634871|0.068099|0.060577|0.067653|0.093032|0.076162|0.100696|0.077509|0.065309|0.063033|0.080435|0.074132|0.097748|0.132366|0.103295|0.148269|0.110542|0.158008|0.086404|0.117402|0.101768|0.089373|0.067593|0.055963|0.072722|0.105149|0.056174|0.048629|0.055287|0.298550|0.300165|0.500000|
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