Version2.0
2020-07-27T16:15:40Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
14-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@H]1CC[C@@]2([C@@]1(C[C@H]([C@@H]3[C@@H]2CC[C@@]4([C@@]35COC(O[C@@H]5C[C@@H](C4)OC(=O)C)(C)C)O)O)C)O C36372223
RHF
6-31G(d)
(6D,7F)
CCOC(=O)[C@H]1CC[C@@]2([C@@]1(C[C@H]([C@@H]3[C@@H]2CC[C@@]4([C@@]35COC(O[C@@H]5C[C@@H](C4)OC(=O)C)(C)C)O)O)C)O
C01[X(C27H42O9)]
228
C1
624
CCOC(=O)[C@H]1CC[C@@]2([C@]1(C)C[C@@H](O)[C@@H]1[C@@H]2CC[C@@]2([C@]31COC(O[C@@H]3C[C@@H](C2)OC(=O)C)(C)C)O)O
CCOC(=O)[C@H]1CC[C@@]2([C@]1(C)C[C@@H](O)[C@@H]1[C@@H]2CC[C@@]2([C@]31COC(O[C@@H]3C[C@@H](C2)OC(=O)C)(C)C)O)O
CCOC(=O)[C@H]1CC[C@@]2(O)[C@H]3CC[C@@]4(O)C[C@H](C[C@H]5OC(C)(C)OC[C@@]45[C@@H]3[C@H](O)C[C@]12C)OC(C)=O
InChIKey=LGDAHNTXQYCQII-YEQAZBKVSA-N
InChI=1S/C27H42O9/c1-6-33-22(30)18-8-10-27(32)17-7-9-25(31)12-16(35-15(2)28)11-20-26(25,14-34-23(3,4)36-20)21(17)19(29)13-24(18,27)5/h16-21,29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19+,20+,21-,24+,25+,26+,27+/m0/s1
InChI=1/C27H42O9/c1-6-33-22(30)18-8-10-27(32)17-7-9-25(31)12-16(35-15(2)28)11-20-26(25,14-34-23(3,4)36-20)21(17)19(29)13-24(18,27)5/h16-21,29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19+,20+,21-,24+,25+,26+,27+/m0/s1
CCOC(=O)[C@H]1CC[C@@]2([C@@]1(C[C@H]([C@@H]3[C@@H]2CC[C@@]4([C@@]35COC(O[C@@H]5C[C@@H](C4)OC(=O)C)(C)C)O)O)C)O
C01[X(C27H42O9)]
228
C01
624
CCOC(=O)[C@H]1CC[C@@]2([C@]1(C)C[C@@H](O)[C@@H]1[C@@H]2CC[C@@]2([C@]31COC(O[C@@H]3C[C@@H](C2)OC(=O)C)(C)C)O)O
CCOC(=O)[C@H]1CC[C@@]2([C@]1(C)C[C@@H](O)[C@@H]1[C@@H]2CC[C@@]2([C@]31COC(O[C@@H]3C[C@@H](C2)OC(=O)C)(C)C)O)O
CCOC(=O)[C@H]1CC[C@@]2(O)[C@H]3CC[C@@]4(O)C[C@H](C[C@H]5OC(C)(C)OC[C@@]45[C@@H]3[C@H](O)C[C@]12C)OC(C)=O
InChIKey=LGDAHNTXQYCQII-YEQAZBKVSA-N
InChI=1S/C27H42O9/c1-6-33-22(30)18-8-10-27(32)17-7-9-25(31)12-16(35-15(2)28)11-20-26(25,14-34-23(3,4)36-20)21(17)19(29)13-24(18,27)5/h16-21,29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19+,20+,21-,24+,25+,26+,27+/m0/s1
InChI=1/C27H42O9/c1-6-33-22(30)18-8-10-27(32)17-7-9-25(31)12-16(35-15(2)28)11-20-26(25,14-34-23(3,4)36-20)21(17)19(29)13-24(18,27)5/h16-21,29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19+,20+,21-,24+,25+,26+,27+/m0/s1
4590.7994720752
-1720.650618
1-A
21160.8831
138
486
624
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15.50438
1.4097 -0.8197 -3.2742
3.6578
|XX|YY|ZZ|XY|XZ|YZ|
-197.2721 -216.7721 -217.5112 -2.4592 -15.7251 7.2316
|XX|YY|ZZ|XY|XZ|YZ|
13.2464 -6.2536 -6.9927 -2.4592 -15.7251 7.2316
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-48.3605 -16.0091 40.0757 69.1090 4.0876 -87.1646 -54.1821 7.2492 -4.1719 4.7425
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228
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18.9674 30.6274 35.2765 46.7908 58.0766 62.3725 75.6045 84.1734 88.2066 102.5260 108.8822 136.9737 139.0387 143.9240 150.2547 158.4818 165.5396 181.5745 186.7328 193.5113 201.3430 223.1320 233.4329 242.7629 262.0812 267.5357 274.1610 277.6813 280.6362 286.9387 304.9491 311.4233 320.1846 329.0536 341.0318 350.9681 351.7123 369.4484 378.0927 385.2051 391.5989 396.0041 413.4784 422.4217 433.2262 447.6356 453.5035 471.5310 485.2874 503.1188 506.4730 528.8826 532.0609 552.6425 566.4081 579.6903 584.5033 597.0482 612.0692 630.2581 656.5832 669.6022 673.2941 681.7443 702.3497 719.9516 731.4289 770.8078 794.7962 806.7864 826.6124 834.5292 871.6838 881.4622 896.3544 907.3264 923.9121 927.9301 949.3288 963.7116 966.5449 977.5670 981.7871 997.9538 1008.8658 1013.0913 1022.4833 1040.6029 1048.5769 1055.9855 1057.7375 1074.9838 1079.4781 1082.9669 1092.9963 1108.9782 1113.4340 1115.4055 1127.3661 1134.2890 1145.0965 1159.9570 1170.1766 1174.6728 1176.6436 1181.1742 1183.3090 1191.6238 1205.9409 1212.7558 1230.6670 1233.4560 1240.5726 1247.4919 1247.6800 1257.2012 1270.4324 1282.2559 1290.9423 1299.0651 1303.4279 1304.7892 1315.4044 1323.5298 1338.3447 1348.2049 1356.7748 1364.5740 1382.3418 1391.7951 1399.7527 1407.5147 1410.9259 1415.2712 1425.0224 1428.6252 1436.2949 1441.6517 1444.8676 1447.3271 1450.0429 1462.4576 1464.9394 1469.7282 1481.9263 1512.2864 1513.3507 1515.7261 1523.5445 1527.8364 1530.7097 1547.1960 1547.8826 1551.3726 1558.9957 1561.6273 1563.2073 1565.4824 1575.9184 1578.7693 1579.0100 1586.1360 1588.4642 1598.5846 1613.3563 1616.1179 1620.8238 1624.1218 1630.3465 1630.6142 1633.5854 1635.0334 1637.7434 1640.8317 1642.9736 1647.7076 1652.4235 1659.2180 1660.7938 1664.2110 1665.6920 1673.3365 1674.0395 1687.5441 1982.6333 2011.3995 3191.4297 3206.0464 3208.3777 3214.1609 3219.2614 3227.5709 3229.8115 3235.0328 3235.0985 3236.6020 3240.5032 3246.2768 3254.9796 3257.1125 3258.3545 3259.1718 3261.3311 3268.2960 3273.8087 3279.3804 3281.3288 3281.9161 3291.6624 3293.1663 3293.9911 3301.8997 3302.1702 3304.9684 3306.8031 3311.7206 3314.9034 3318.4549 3323.6873 3325.3948 3334.9662 3339.8062 3347.6415 3352.9570 3364.3496 4034.1960 4088.4108 4105.9920
4.1187 4.9754 5.1925 5.1096 2.9015 3.8913 3.4804 2.9861 3.4032 1.2127 3.1286 3.6870 2.4790 3.5137 3.1716 2.7696 2.8096 3.3633 2.6634 2.2056 2.6299 3.1960 3.4903 1.3047 2.9474 2.9481 1.6620 2.6579 3.3842 1.7330 3.0325 2.6054 3.2857 2.8887 1.3614 3.4853 2.1933 3.1837 2.2583 1.4414 3.3520 3.9243 3.0111 3.0087 2.9592 3.0454 2.5592 3.7269 3.3045 3.1278 3.0839 2.6159 3.9604 4.3927 4.3099 3.2907 3.6530 3.1331 4.2708 4.1887 3.7159 1.8950 1.8477 2.6229 3.4879 3.4399 4.0454 3.4607 3.9718 3.9165 2.1994 2.3872 3.5178 1.1521 2.0718 2.5223 2.4683 2.7685 2.1534 2.3726 2.5099 2.4386 2.5356 2.1145 3.0283 1.5375 3.1814 2.8081 2.4392 2.7986 2.1253 2.1999 2.2175 2.2409 2.5481 2.2740 1.3923 2.1421 2.1519 2.4566 2.5784 2.6388 2.9450 2.8930 2.5222 1.8721 2.9963 2.3042 2.3924 2.5921 3.0227 2.5840 2.7756 2.3118 2.2633 2.3521 1.4611 2.2255 1.8124 1.5538 2.2029 1.7111 2.1498 1.8972 2.5793 2.5315 2.5492 1.5156 1.3429 2.2104 1.3432 3.1543 1.5702 1.5369 1.0914 2.9236 1.4455 1.3545 1.4125 1.3326 1.3072 1.3906 1.5068 1.4842 1.5944 1.4297 1.5168 1.5349 1.4458 1.4373 1.4948 1.5634 1.4269 1.3343 1.3494 1.4596 1.3893 1.5132 1.2962 1.4820 1.2601 1.4562 1.3541 1.2270 1.0558 1.2818 1.0466 1.0553 1.0412 1.0496 1.0893 1.0892 1.0935 1.0776 1.0544 1.0920 1.0693 1.0610 1.0958 1.0933 1.0964 1.0910 1.0621 1.0872 12.4204 11.4570 1.0679 1.0701 1.0750 1.0363 1.0682 1.0378 1.0379 1.0604 1.0642 1.0508 1.0635 1.0715 1.0679 1.0621 1.0878 1.0894 1.0692 1.0986 1.0862 1.1046 1.1016 1.1033 1.1040 1.1016 1.0935 1.1027 1.1037 1.1022 1.1008 1.1098 1.1017 1.0980 1.0907 1.0904 1.0917 1.1046 1.0852 1.0891 1.0841 1.0666 1.0667 1.0669
0.0009 0.0027 0.0038 0.0066 0.0058 0.0089 0.0117 0.0125 0.0156 0.0075 0.0219 0.0408 0.0282 0.0429 0.0422 0.0410 0.0454 0.0653 0.0547 0.0487 0.0628 0.0938 0.1121 0.0453 0.1193 0.1243 0.0736 0.1208 0.1570 0.0841 0.1662 0.1489 0.1985 0.1843 0.0933 0.2529 0.1599 0.2560 0.1902 0.1260 0.3029 0.3626 0.3033 0.3163 0.3272 0.3595 0.3101 0.4882 0.4585 0.4665 0.4661 0.4311 0.6606 0.7904 0.8147 0.6515 0.7353 0.6580 0.9427 0.9803 0.9438 0.5006 0.4935 0.7182 1.0137 1.0505 1.2751 1.2115 1.4783 1.5020 0.8854 0.9795 1.5749 0.5274 0.9807 1.2234 1.2414 1.4045 1.1434 1.2983 1.3815 1.3731 1.4400 1.2408 1.8160 0.9297 1.9597 1.7916 1.5802 1.8387 1.4010 1.4978 1.5224 1.5485 1.7935 1.6477 1.0170 1.5702 1.6114 1.8622 1.9919 2.0919 2.3760 2.3520 2.0574 1.5389 2.4719 1.9277 2.0499 2.2462 2.6973 2.3163 2.5168 2.1197 2.0758 2.1904 1.3894 2.1558 1.7796 1.5449 2.2051 1.7164 2.1917 1.9581 2.7220 2.7110 2.7648 1.6628 1.5120 2.5227 1.5505 3.6818 1.8417 1.8138 1.3058 3.5156 1.7570 1.6587 1.7374 1.6447 1.6195 1.7524 1.9053 1.8889 2.0629 1.9264 2.0467 2.0777 1.9773 1.9768 2.0635 2.2051 2.0142 1.8921 1.9323 2.0973 2.0002 2.1849 1.8967 2.1764 1.8510 2.1585 2.0131 1.8474 1.6192 1.9725 1.6199 1.6400 1.6306 1.6443 1.7127 1.7155 1.7280 1.7094 1.6770 1.7468 1.7202 1.7209 1.7808 1.7841 1.7923 1.7998 1.7537 1.8242 28.7655 27.3097 6.4087 6.4804 6.5198 6.3080 6.5225 6.3695 6.3790 6.5385 6.5623 6.4853 6.5799 6.6528 6.6663 6.6387 6.8046 6.8180 6.7005 6.9141 6.8590 6.9992 6.9881 7.0015 7.0479 7.0387 6.9907 7.0831 7.0910 7.0933 7.0924 7.1716 7.1327 7.1241 7.0987 7.1042 7.1536 7.2591 7.1655 7.2141 7.2299 10.2277 10.5047 10.5976
0.7733 0.3081 0.1864 2.4193 1.7228 0.8822 0.6134 0.4390 0.3113 0.1881 0.4447 0.6475 2.4525 1.3986 1.6558 2.7309 0.3052 0.5070 0.3257 2.0262 1.7338 7.6844 4.7576 1.1285 3.5917 1.3168 2.8810 3.9587 1.9854 1.2273 3.4555 1.4697 1.3172 2.4427 96.4093 19.2183 27.2037 3.1237 13.2374 144.8956 6.8294 2.3223 0.1199 8.3225 5.3460 1.2360 0.3118 7.3814 2.5174 7.7394 7.5036 5.8611 0.7323 19.5054 1.3297 1.7003 24.5040 10.7938 5.4356 17.5532 17.4111 81.9997 37.7784 13.6521 14.3743 4.8585 8.3194 8.1326 5.0418 11.2021 10.4608 0.0101 3.7505 0.2474 4.0222 7.8446 11.4669 8.9885 5.0431 19.7610 16.1993 3.2944 18.6036 6.2764 16.0097 3.1293 7.8233 3.0980 6.5531 8.1715 17.9942 4.0548 20.7344 24.2347 14.1855 26.2335 1.3999 2.0787 2.3422 20.6707 40.6750 4.2479 7.0372 149.0363 16.5310 7.9919 91.9759 33.5743 43.1628 19.8337 10.8016 29.2892 59.5384 11.2504 46.7066 5.3763 17.0285 86.2565 19.4302 5.5702 5.1303 32.2208 69.3817 19.5738 21.5586 124.6826 31.6183 50.5459 44.5185 403.7855 20.3386 230.5323 88.5797 124.2595 2.6251 561.4857 52.4120 7.9792 36.1661 10.3898 27.8343 8.8236 21.7884 31.1590 41.5758 14.9679 9.3864 103.9152 18.7021 24.6303 3.9532 15.4793 40.0632 37.7509 21.3844 47.2004 82.4402 66.9040 28.6700 12.5523 19.8129 1.4796 21.5287 5.6907 12.5908 8.3609 6.9641 0.1392 4.1556 0.6489 0.7906 2.0203 0.5113 1.4337 1.5697 3.2023 1.4877 3.4832 1.6073 2.4063 7.9905 2.5587 1.4846 5.3573 243.5009 301.5959 24.0953 63.9692 22.1356 27.0524 35.7267 8.5993 5.1479 21.5041 15.4072 14.8788 32.8696 33.3320 33.9445 12.3661 28.5326 53.7943 12.8338 12.3441 47.6651 7.2592 33.7650 21.7488 9.5703 10.3806 66.6478 36.2691 33.8743 16.0235 48.0422 61.5602 60.6752 19.6748 30.7571 2.4353 23.5388 13.7203 5.6328 18.0309 6.6135 197.1401 39.2067 54.7322
0.1000 0.0530 0.1017 0.5820 0.3357 0.1337 0.2832 0.1655 0.1001 0.0227 0.0652 0.4198 0.0914 0.3482 0.8842 0.1639 1.4064 0.6181 0.1907 0.1364 1.4701 0.2726 0.5819 0.0918 0.4705 0.2750 0.2588 0.5257 0.2855 0.0315 0.5999 0.4134 2.8155 0.4208 2.3779 0.4180 0.6306 0.8854 1.8609 1.4511 1.0094 1.7170 0.7112 0.1082 0.4817 1.8558 0.6720 0.7854 1.0080 0.9531 1.3966 0.3793 1.0502 1.4421 1.2068 1.1019 1.8757 5.3613 0.8621 3.4469 8.7901 0.8821 2.1998 10.3792 0.8463 1.7403 1.1924 9.4133 2.0865 1.3343 3.0933 1.1353 1.4281 0.3209 0.9831 1.1106 2.6224 0.6484 0.3903 6.3215 17.7418 2.0074 1.9264 4.5445 5.0997 6.9385 6.4462 16.7483 2.3187 6.2222 2.4496 0.7429 4.1003 1.8343 5.1787 2.7451 5.3273 4.3555 7.2261 8.4294 10.7280 4.9567 2.0324 4.8448 1.0852 1.6625 3.2461 1.4479 8.9518 0.4616 1.1933 1.0838 0.9519 6.1207 8.1257 5.7969 2.6283 4.8497 8.4886 1.0749 18.1121 2.1688 3.1742 1.7267 2.8632 3.3608 5.7860 2.5531 7.9818 7.3071 7.7107 5.9705 3.1775 1.9063 13.1326 2.0924 3.1475 3.9478 5.5562 3.5451 4.6364 0.7133 2.5710 0.9000 3.6928 4.6859 1.2006 3.1767 9.6438 3.5496 4.8250 4.0332 0.4997 0.7954 4.0180 3.2986 1.0052 2.9285 2.8522 3.6107 2.8189 5.0095 0.8212 1.8845 13.4404 4.0697 18.9266 4.2081 22.5347 16.2273 17.7865 2.1795 12.6033 31.2904 18.8032 9.3137 13.8340 5.6046 3.3961 1.3726 8.1944 3.4766 5.6686 7.4504 2.3380 3.6252 18.8381 87.2134 81.9332 113.7574 48.6579 4.6157 103.3115 160.2894 42.3858 52.3800 24.7861 53.8845 102.9212 87.4630 40.7847 123.7408 110.3172 29.2483 83.2721 47.1551 84.1137 90.2531 21.5819 54.6886 23.9969 117.5367 88.5851 44.4097 31.2712 9.8032 41.7092 59.9029 47.5906 95.8434 25.5781 86.8050 60.2105 21.5586 7.5160 35.1354 75.2558 81.5468
0.7465 0.4443 0.7351 0.7500 0.7377 0.6714 0.5966 0.7497 0.7316 0.7449 0.7430 0.1674 0.2439 0.4114 0.3799 0.3733 0.1681 0.1276 0.6340 0.5447 0.1699 0.2525 0.4121 0.6736 0.3270 0.4700 0.6560 0.5861 0.3460 0.6127 0.7444 0.6553 0.1577 0.0857 0.7234 0.7499 0.6728 0.5914 0.6996 0.7277 0.7477 0.4362 0.4998 0.4589 0.1830 0.5648 0.2997 0.3565 0.4581 0.2489 0.4810 0.3608 0.2732 0.3199 0.3302 0.5929 0.5275 0.1587 0.4541 0.2859 0.0577 0.6206 0.3054 0.0174 0.5604 0.6176 0.5530 0.0305 0.7134 0.2360 0.0314 0.1363 0.2411 0.4655 0.6923 0.5971 0.4283 0.7333 0.5091 0.7320 0.2090 0.4833 0.7492 0.6449 0.3100 0.7065 0.3660 0.3910 0.7410 0.3813 0.5647 0.6103 0.4309 0.3857 0.6184 0.6234 0.7494 0.6951 0.6830 0.5696 0.5955 0.6001 0.5861 0.6651 0.5593 0.7304 0.2619 0.7487 0.7419 0.7500 0.5718 0.5195 0.5702 0.4949 0.2036 0.5781 0.5626 0.6873 0.7498 0.7500 0.5538 0.6435 0.7202 0.7497 0.4577 0.4561 0.7452 0.4563 0.6329 0.7498 0.6063 0.4804 0.6175 0.7099 0.7477 0.5031 0.4193 0.7125 0.7494 0.7185 0.7389 0.7208 0.5555 0.7418 0.5621 0.7468 0.7478 0.6052 0.7067 0.7223 0.4840 0.7485 0.5235 0.6732 0.5894 0.7393 0.7444 0.4160 0.7407 0.6938 0.7144 0.6845 0.6016 0.4794 0.7476 0.5848 0.7480 0.7293 0.7493 0.7407 0.7492 0.7074 0.6839 0.6936 0.7182 0.7018 0.7322 0.6951 0.7447 0.7439 0.6813 0.7498 0.6396 0.7482 0.5235 0.7181 0.2964 0.3251 0.1836 0.0354 0.2368 0.2041 0.0048 0.0300 0.3159 0.2278 0.3606 0.1089 0.0432 0.1797 0.7176 0.0815 0.1519 0.6600 0.2225 0.6987 0.6508 0.7004 0.7495 0.7456 0.7455 0.7231 0.5283 0.6576 0.5369 0.7363 0.7250 0.7348 0.7418 0.1032 0.7020 0.6262 0.0991 0.2191 0.5018 0.2170 0.3009 0.3169
0.8548 0.6153 0.8473 0.8571 0.8490 0.8034 0.7473 0.8569 0.8450 0.8538 0.8526 0.2869 0.3922 0.5830 0.5506 0.5436 0.2879 0.2263 0.7760 0.7053 0.2905 0.4031 0.5837 0.8050 0.4928 0.6394 0.7923 0.7390 0.5141 0.7598 0.8535 0.7918 0.2725 0.1579 0.8395 0.8571 0.8044 0.7433 0.8232 0.8424 0.8556 0.6075 0.6665 0.6291 0.3094 0.7218 0.4612 0.5257 0.6283 0.3986 0.6495 0.5303 0.4292 0.4847 0.4965 0.7444 0.6907 0.2739 0.6246 0.4447 0.1091 0.7659 0.4679 0.0342 0.7183 0.7636 0.7122 0.0592 0.8327 0.3818 0.0608 0.2399 0.3885 0.6353 0.8182 0.7478 0.5997 0.8462 0.6747 0.8453 0.3457 0.6516 0.8566 0.7841 0.4733 0.8280 0.5359 0.5622 0.8512 0.5521 0.7218 0.7580 0.6023 0.5567 0.7642 0.7680 0.8567 0.8201 0.8116 0.7258 0.7465 0.7501 0.7390 0.7989 0.7174 0.8442 0.4151 0.8563 0.8518 0.8571 0.7276 0.6838 0.7263 0.6621 0.3383 0.7326 0.7201 0.8147 0.8570 0.8571 0.7128 0.7831 0.8373 0.8570 0.6280 0.6265 0.8540 0.6267 0.7752 0.8570 0.7549 0.6490 0.7635 0.8303 0.8557 0.6694 0.5909 0.8321 0.8568 0.8362 0.8499 0.8378 0.7142 0.8518 0.7197 0.8551 0.8557 0.7540 0.8282 0.8387 0.6523 0.8562 0.6872 0.8047 0.7416 0.8501 0.8535 0.5876 0.8511 0.8193 0.8334 0.8127 0.7513 0.6481 0.8556 0.7380 0.8558 0.8434 0.8567 0.8511 0.8566 0.8286 0.8123 0.8191 0.8360 0.8248 0.8454 0.8201 0.8537 0.8531 0.8104 0.8570 0.7802 0.8560 0.6872 0.8359 0.4573 0.4907 0.3102 0.0685 0.3829 0.3390 0.0095 0.0582 0.4802 0.3711 0.5300 0.1965 0.0828 0.3047 0.8356 0.1506 0.2637 0.7952 0.3640 0.8227 0.7885 0.8238 0.8568 0.8543 0.8542 0.8393 0.6913 0.7935 0.6987 0.8481 0.8406 0.8471 0.8518 0.1872 0.8249 0.7701 0.1803 0.3594 0.6683 0.3566 0.4626 0.4813
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 71 72 73 74 75 76 77 78
6 6 8 6 8 6 1 6 6 6 6 6 6 1 6 1 6 1 6 6 6 6 6 8 6 8 6 1 6 6 1 6 8 6 8 6 6 6 8 8 6 8 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 1 1
12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 15.99491 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 1.00783 1.00783
6859.1405 32402.3153 35379.0743
0.99999 0.00310 -0.00208 -0.00306 0.99989 0.01446 0.00213 -0.01445 0.99989
1
0.01263 0.00267 0.00245
0.26311 0.05570 0.05101
27.29 44.07 50.76 67.32 83.56 89.74 108.78 121.11 126.91 147.51 156.66 197.07 200.05 207.07 216.18 228.02 238.17 261.25 268.67 278.42 289.69 321.04 335.86 349.28 377.08 384.92 394.46 399.52 403.77 412.84 438.75 448.07 460.67 473.43 490.67 504.96 506.04 531.55 543.99 554.22 563.42 569.76 594.90 607.77 623.32 644.05 652.49 678.43 698.22 723.88 728.70 760.94 765.52 795.13 814.93 834.05 840.97 859.02 880.63 906.80 944.68 963.41 968.72 980.88 1010.52 1035.85 1052.36 1109.02 1143.53 1160.79 1189.31 1200.70 1254.16 1268.23 1289.65 1305.44 1329.30 1335.08 1365.87 1386.57 1390.64 1406.50 1412.57 1435.83 1451.53 1457.61 1471.13 1497.20 1508.67 1519.33 1521.85 1546.66 1553.13 1558.15 1572.58 1595.57 1601.98 1604.82 1622.03 1631.99 1647.54 1668.92 1683.62 1690.09 1692.93 1699.45 1702.52 1714.48 1735.08 1744.89 1770.66 1774.67 1784.91 1794.86 1795.13 1808.83 1827.87 1844.88 1857.38 1869.06 1875.34 1877.30 1892.57 1904.26 1925.58 1939.77 1952.10 1963.32 1988.88 2002.48 2013.93 2025.10 2030.01 2036.26 2050.29 2055.47 2066.51 2074.22 2078.84 2082.38 2086.29 2104.15 2107.72 2114.61 2132.16 2175.84 2177.37 2180.79 2192.04 2198.22 2202.35 2226.07 2227.06 2232.08 2243.05 2246.83 2249.11 2252.38 2267.40 2271.50 2271.84 2282.10 2285.45 2300.01 2321.26 2325.23 2332.00 2336.75 2345.71 2346.09 2350.37 2352.45 2356.35 2360.79 2363.87 2370.68 2377.47 2387.24 2389.51 2394.43 2396.56 2407.56 2408.57 2428.00 2852.57 2893.96 4591.76 4612.79 4616.14 4624.46 4631.80 4643.75 4646.98 4654.49 4654.59 4656.75 4662.36 4670.67 4683.19 4686.26 4688.05 4689.22 4692.33 4702.35 4710.28 4718.30 4721.10 4721.95 4735.97 4738.13 4739.32 4750.70 4751.09 4755.11 4757.75 4764.83 4769.41 4774.52 4782.04 4784.50 4798.27 4805.24 4816.51 4824.16 4840.55 5804.31 5882.31 5907.61
0.732269
0.765442
0.766386
0.669120
-1719.918350
-1719.885176
-1719.884232
-1719.981498
3.262318D-04
MUNgauss
RevisionA2.0
retrievium
27-Jul-2020
DUDE CCOC(=O)[C@H]1CC[C@@]2([C@@]1(C[C@H]([C@@H]3[C@@H]2CC[C@@]4([C@@]35COC(O[C@@H]5C[C@@H](C4)OC(=O)C)(C)C)O)O)C)O C36372223
RHF
6-31G(d)
(6D,10F)
C1
510.282883
|X|Y|Z|
54.456128 35.982960 130.002414
63.391596
21
|36.858105|
|12.580585|36.858105|
|8.045274|13.390390|73.516695|
|5.270071|8.099769|25.540933|36.858105|
|4.625689|7.214674|15.325668|15.978227|73.516695|
|4.055602|5.168746|14.383823|12.621064|14.095233|36.858105|
|3.870001|4.763770|12.433891|9.236978|11.774567|17.588240|0.500000|
|3.945365|4.519900|12.007913|7.322773|9.219283|12.243624|0.246243|36.858105|
|2.996888|3.356879|7.885627|5.016640|7.255282|7.687325|0.176333|12.279045|36.858105|
|2.742372|3.171495|7.274436|5.036828|7.718883|8.068379|0.198527|7.862367|12.457751|36.858105|
|3.133005|3.870348|9.103036|7.357833|11.514917|12.313834|0.246140|7.774450|7.921275|12.279964|36.858105|
|2.760095|3.402571|7.392178|5.751640|10.518697|7.270230|0.193777|4.936979|5.012064|7.516605|12.296668|36.858105|
|2.266098|2.669415|5.587020|3.950268|7.116275|4.866600|0.134594|3.916165|4.391098|6.714389|7.284883|12.264424|36.858105|
|2.113296|2.486537|5.041395|3.510281|6.588050|4.021488|0.111235|3.276436|3.555328|4.905654|5.518817|8.854944|17.675333|0.500000|
|2.143103|2.478230|5.185984|3.560719|6.253630|4.428845|0.115382|3.934760|4.873121|7.401251|6.773758|7.528864|12.420684|0.245647|36.858105|
|2.231049|2.613915|5.437784|3.791804|6.818663|4.547702|0.112807|3.996193|4.807323|6.715055|7.201394|7.511672|9.277118|0.215709|17.710763|0.500000|
|2.257649|2.564526|5.529427|3.703843|6.108059|4.978413|0.128794|4.879032|7.104852|12.239007|7.290477|6.265333|7.556906|0.152907|12.264991|0.247762|36.858105|
|2.119876|2.370197|5.060433|3.303942|5.435301|4.372694|0.120405|4.335139|5.999804|9.154279|5.718373|5.366601|6.797304|0.141562|8.908973|0.176086|17.742175|0.500000|
|2.075405|2.306900|4.859964|3.126245|5.185984|3.934314|0.099610|4.191562|6.169030|7.173348|5.149505|4.352486|4.928470|0.113608|7.578207|0.192732|12.453091|0.252950|36.858105|
|1.781958|1.958186|4.010885|2.538632|4.313230|3.052081|0.080142|3.154409|4.169786|4.805643|3.812194|3.566667|4.311131|0.105564|6.350541|0.154274|7.558868|0.202678|12.304643|36.858105|
|1.707831|1.891826|3.839683|2.459066|4.263186|2.921347|0.078650|2.863813|3.579377|4.421133|3.693414|3.779388|5.049793|0.127694|7.376275|0.161778|6.900242|0.202170|7.307885|12.349958|36.858105|
|1.821341|2.060696|4.177432|2.753380|4.897480|3.236706|0.086064|3.009624|3.643238|4.755683|4.337327|4.766521|7.057731|0.186576|11.988089|0.250375|7.257284|0.184373|6.486470|7.449517|12.252251|36.858105|
|1.765446|1.997321|3.979956|2.604002|4.714362|2.940565|0.076146|2.764633|3.269745|3.958225|3.855521|4.063560|5.165213|0.145585|7.603510|0.228835|5.369227|0.129168|5.602575|6.242124|7.460952|12.345078|36.858105|
|1.823920|2.094738|4.119876|2.734565|5.120105|2.983733|0.076875|2.701903|3.049761|3.685974|3.916283|4.350697|5.296035|0.163153|6.643956|0.225864|4.530099|0.108676|4.363731|4.391389|5.036715|7.902872|13.588063|73.516695|
|1.714932|1.964888|3.813308|2.514868|4.768366|2.700931|0.071551|2.407124|2.645171|3.201259|3.421239|4.043749|5.054478|0.173334|5.432004|0.162746|3.800661|0.096342|3.511090|3.627798|4.398978|6.558738|7.981815|24.210954|36.858105|
|1.712701|1.956109|3.836242|2.533194|4.735188|2.787588|0.075772|2.465387|2.728299|3.412473|3.537454|4.384691|6.152529|0.227703|6.129213|0.160895|4.142429|0.109562|3.620904|3.814807|5.022086|7.778112|6.969083|14.614950|13.555939|73.516695|
|1.686683|1.904177|3.788145|2.477626|4.493048|2.821317|0.077241|2.564454|2.943115|3.740331|3.594636|4.259477|6.373745|0.200096|7.223582|0.165907|4.924482|0.136359|4.297130|4.865490|7.507655|12.305700|7.777099|12.113901|7.692108|23.847998|36.858105|
|1.718733|1.939246|3.877396|2.536978|4.569549|2.922052|0.082038|2.625826|2.986972|3.872059|3.673349|4.503039|7.086296|0.219416|6.874525|0.149176|4.956157|0.145612|4.062940|4.443334|6.605703|8.858473|5.633250|9.214736|5.801028|17.056968|17.676679|0.500000|
|1.487457|1.652340|3.241329|2.068806|3.735305|2.314168|0.063562|2.163196|2.464861|2.965148|2.812127|3.170447|4.223382|0.127514|4.739916|0.116534|3.767022|0.107140|3.579955|4.342043|6.499580|7.325518|6.105627|9.228732|5.913152|14.043148|12.369047|0.247369|36.858105|
|1.431682|1.570668|3.095379|1.947973|3.452490|2.206040|0.060792|2.122319|2.463607|2.901480|2.632406|2.842852|3.668664|0.103537|4.260233|0.102966|3.744250|0.111002|3.730908|4.923283|7.610242|6.295087|5.130656|7.256896|4.187891|8.948072|7.408227|0.181702|12.527067|36.858105|
|1.434034|1.567995|3.099555|1.943791|3.421928|2.217448|0.062017|2.133603|2.469521|2.922648|2.612970|2.836838|3.670127|0.101995|4.085072|0.096348|3.717597|0.115163|3.577589|4.570441|6.836775|5.528996|4.278974|6.305324|3.665364|8.047811|6.535516|0.185575|8.842206|17.705330|0.500000|
|1.503388|1.647076|3.276486|2.061199|3.611097|2.367437|0.064157|2.331225|2.797643|3.259955|2.862264|2.958895|3.755235|0.101223|4.793845|0.116293|4.437601|0.129313|4.845054|7.533065|12.401818|7.379811|6.146711|7.765099|4.048012|8.021618|6.423329|0.152472|7.621215|12.532833|0.246118|36.858105|
|1.296775|1.410583|2.747159|1.706857|3.033941|1.898836|0.052247|1.843340|2.105870|2.399297|2.211714|2.355798|2.894100|0.082385|3.271077|0.082689|2.961976|0.086347|3.038292|3.891839|5.101983|4.424223|4.081294|6.056955|3.528647|7.045303|5.009360|0.125366|7.891948|13.303995|0.258954|8.050181|73.516695|
|1.220078|1.321393|2.556665|1.578462|2.811022|1.741289|0.048387|1.683972|1.892087|2.141517|1.992953|2.140244|2.589075|0.074313|2.800486|0.071046|2.560721|0.075303|2.566493|3.134076|3.938826|3.560795|3.265812|5.109360|3.061167|6.171580|4.161913|0.110446|6.079906|8.015246|0.211107|5.321024|25.524504|36.858105|
|1.232728|1.336150|2.586165|1.598043|2.846733|1.764847|0.049559|1.692860|1.887750|2.155532|2.009740|2.189581|2.665151|0.076878|2.791902|0.069940|2.548108|0.076001|2.479081|2.950226|3.740200|3.455183|3.056356|4.889260|2.983860|6.230699|4.191875|0.117560|5.837919|7.060107|0.219740|4.650695|15.240185|16.031836|73.516695|
|1.121308|1.206654|2.315999|1.417156|2.526448|1.545730|0.042785|1.506241|1.677673|1.859532|1.745401|1.849554|2.172280|0.062214|2.344397|0.060878|2.177428|0.063148|2.222533|2.666472|3.147025|2.881993|2.773346|4.420553|2.619677|5.044391|3.222770|0.084908|4.326595|5.160066|0.133975|4.103999|14.480535|12.656101|14.164173|36.858105|
|1.516464|1.709409|3.268714|2.102089|3.956292|2.227262|0.059339|2.037310|2.227250|2.591130|2.701156|3.051853|3.633659|0.117168|3.929264|0.114698|3.034420|0.078946|2.947900|3.168855|3.767146|4.887622|6.130200|14.042360|12.431113|13.845197|5.762288|0.125485|5.687720|4.079776|0.096482|3.828326|6.608818|3.245475|5.468296|2.859548|36.858105|
|1.813161|2.109013|4.030244|2.685471|5.279691|2.776918|0.073473|2.401955|2.538975|3.038593|3.451870|4.225008|4.789784|0.170156|4.587435|0.142481|3.359156|0.084770|3.029041|2.970874|3.407665|4.689334|5.246769|14.488520|12.528253|14.507748|5.216130|0.126415|4.159205|3.195204|0.081379|3.097373|4.942616|2.511100|4.439575|2.201998|7.633776|36.858105|
|1.720531|1.897255|3.873699|2.469014|4.232196|2.981504|0.083060|2.908197|3.599719|4.554199|3.668936|3.839720|5.225353|0.128176|6.550719|0.136466|6.741816|0.244373|6.007970|7.826056|13.429472|8.064944|5.085084|7.097138|3.743172|8.049426|6.662801|0.199378|5.730416|6.894725|0.214272|8.073894|8.285391|3.881745|6.963883|3.040501|3.207385|3.068737|73.516695|
|2.147085|2.468578|5.157202|3.495006|6.085851|4.361709|0.130407|3.664830|4.107627|6.067286|5.633911|7.743177|13.382073|0.260463|7.899710|0.161953|6.686768|0.205497|4.441524|4.081652|4.903402|5.839882|4.144848|7.121892|3.992206|8.989986|5.764696|0.205472|4.103237|3.749483|0.110611|3.713132|5.213474|2.681097|5.041354|2.218946|3.108231|3.727396|10.490575|73.516695|
|3.070264|3.799404|8.430398|6.441682|11.076040|7.608538|0.154010|6.279486|6.510600|7.390783|12.265054|7.417778|5.496460|0.130075|5.942537|0.209994|5.934053|0.126257|5.068699|3.741926|3.492107|4.158182|4.116270|7.675944|3.555625|6.081124|3.372376|0.090899|2.701301|2.511054|0.067420|2.780236|3.820587|1.918683|3.382375|1.704171|2.828481|3.627566|5.769870|7.418880|36.858105|
|2.692501|3.053157|6.955353|4.614274|7.019443|7.162000|0.223934|6.771954|8.252627|13.398280|7.907745|6.549623|6.086147|0.126505|5.699608|0.135832|7.952389|0.234549|5.215089|4.047578|3.949728|4.078183|3.302137|5.515066|2.842822|5.583084|3.473586|0.105134|2.808716|2.783964|0.080533|3.015740|4.105907|2.105025|3.838481|1.820250|2.345792|2.723647|7.946150|12.081874|5.017574|73.516695|
|17.552705|8.890356|10.215677|4.270914|7.123282|3.360743|0.089845|3.237919|2.574229|2.395749|2.723036|2.465482|2.057500|0.054024|1.946572|0.056386|2.022129|0.052938|1.874471|1.632161|1.573000|1.678786|1.639741|3.028194|1.613047|2.850868|1.569269|0.044305|1.394404|1.339113|0.037197|1.398937|2.170281|1.152854|2.070213|1.064444|1.438719|1.715372|2.808779|3.466554|2.709021|4.181061|0.500000|
|17.571944|8.850407|12.887695|4.896693|7.475019|3.967686|0.102228|4.131129|3.133240|2.768557|3.099665|2.657815|2.209079|0.056909|2.134511|0.061952|2.281123|0.059217|2.133783|1.820085|1.720349|1.819607|1.774245|3.231488|1.691333|2.988276|1.666767|0.046909|1.475479|1.429240|0.039662|1.514179|2.305397|1.215606|2.173749|1.119769|1.501007|1.770225|3.062117|3.710451|3.110106|4.752196|0.300639|0.500000|
|17.573121|8.850706|12.890092|4.898136|7.473625|3.997589|0.110985|3.923042|2.974156|2.729442|3.045767|2.710025|2.243263|0.057847|2.104119|0.059944|2.236695|0.059146|2.039467|1.759057|1.692290|1.790413|1.713683|3.123787|1.662544|2.985782|1.666064|0.047551|1.471841|1.423546|0.039867|1.489552|2.290113|1.216477|2.193984|1.116199|1.471287|1.746410|3.067655|3.854537|2.875397|4.912709|0.300625|0.301004|0.500000|
|8.812584|17.615217|16.525937|7.252223|12.970542|4.714149|0.115837|4.166190|3.222250|3.052603|3.778111|3.322376|2.623265|0.068597|2.472073|0.073834|2.520728|0.063908|2.302203|1.955857|1.883615|2.068133|2.041954|3.847620|2.016067|3.510458|1.904361|0.053274|1.654787|1.565022|0.043065|1.646243|2.506589|1.316459|2.354963|1.205890|1.757416|2.182232|3.309698|4.223149|3.962882|5.060920|0.211570|0.211097|0.172991|0.500000|
|8.812664|17.613906|16.527776|7.255755|12.961672|4.763758|0.128977|3.953799|3.050650|3.000498|3.681959|3.425264|2.680593|0.070247|2.425340|0.070517|2.461353|0.063816|2.185506|1.881027|1.847093|2.025717|1.951527|3.670295|1.968021|3.506326|1.903253|0.054213|1.649639|1.557549|0.043326|1.614852|2.487022|1.317526|2.380550|1.201432|1.710440|2.138256|3.316526|4.437860|3.510274|5.254651|0.211579|0.172986|0.211095|0.302682|0.500000|
|4.035845|4.358590|11.264578|6.105495|7.909970|8.739826|0.230488|17.618389|8.690674|6.204744|5.771880|4.195050|3.457524|0.081544|3.399617|0.093345|4.178442|0.109365|3.631465|2.853008|2.618851|2.692849|2.450753|4.239063|2.166913|3.990771|2.348121|0.067606|2.011492|1.993211|0.056274|2.167196|3.099126|1.607928|2.889429|1.442366|1.859591|2.160194|4.841559|6.047684|4.662331|11.350624|0.091163|0.117011|0.117059|0.107193|0.107222|0.500000|
|4.366675|4.925745|12.872784|7.077954|9.091234|8.665581|0.177137|17.590284|8.702362|5.843469|6.209036|4.195320|3.383968|0.081197|3.467083|0.101059|4.121095|0.100944|3.788977|2.899907|2.605109|2.741141|2.606754|4.572828|2.277480|4.060363|2.345113|0.065700|2.006537|1.965267|0.054374|2.164003|3.074087|1.580150|2.806383|1.427228|1.951279|2.290594|4.596509|5.525352|6.063718|8.766615|0.098346|0.133733|0.115794|0.130085|0.113469|0.304673|0.500000|
|2.749946|2.970208|6.753986|4.077458|6.024354|5.756906|0.147609|8.649064|17.596222|8.810842|5.680313|4.131149|3.841461|0.087898|4.247313|0.112041|6.249492|0.164049|5.780323|4.122065|3.487299|3.368451|2.983812|4.855777|2.408214|4.469744|2.762756|0.078630|2.368080|2.425264|0.068381|2.763235|3.706216|1.881723|3.342649|1.671626|2.066360|2.285277|6.425355|6.783887|4.771590|13.839648|0.066156|0.080117|0.077263|0.078381|0.075712|0.223506|0.185577|0.500000|
|2.855231|3.181759|7.201565|4.525505|6.810560|6.110403|0.137094|8.717762|17.587284|8.761392|6.757594|4.462904|4.012324|0.092953|4.718780|0.136498|6.569349|0.146960|6.758059|4.379913|3.586699|3.648749|3.433568|5.647391|2.681750|4.786965|2.886470|0.079226|2.445155|2.445496|0.066915|2.832004|3.749947|1.878239|3.291625|1.678346|2.276238|2.556110|6.099225|6.429771|6.939868|10.357160|0.068969|0.084336|0.077028|0.087538|0.079479|0.177635|0.226064|0.302120|0.500000|
|2.757763|3.469068|7.218287|5.655959|11.684304|6.076177|0.155532|4.260265|4.183131|5.552675|8.809392|17.588480|8.810482|0.231602|6.236307|0.193630|4.953679|0.118193|3.794962|3.200454|3.391981|4.362537|3.999569|8.175534|4.332148|7.922708|4.029774|0.114271|3.046169|2.670398|0.072856|2.752102|4.003121|2.052306|3.713858|1.791118|3.223295|4.903876|5.922093|10.283105|7.353367|8.545606|0.069387|0.073259|0.073860|0.096840|0.098229|0.101004|0.106558|0.096787|0.108938|0.500000|
|2.859850|3.525170|7.648667|5.843754|10.528183|7.177646|0.225262|4.735062|4.518057|6.305465|8.758805|17.544654|8.867512|0.199345|5.609658|0.147917|5.096121|0.131791|3.676450|3.109479|3.312450|3.965026|3.369941|6.333350|3.456512|6.808079|3.742611|0.113986|2.884487|2.617813|0.073988|2.667824|3.900780|2.029290|3.738001|1.758612|2.708473|3.654789|6.234299|13.610964|5.552972|11.693719|0.070821|0.075016|0.079543|0.092637|0.101533|0.117997|0.110198|0.107714|0.108459|0.305915|0.500000|
|2.103734|2.297693|4.867122|3.044675|4.934048|3.851647|0.097976|4.415438|6.874926|6.717160|4.661203|3.807215|4.079438|0.095199|5.494829|0.142628|8.803660|0.212835|17.574257|8.825345|5.566056|4.792875|4.269576|6.235867|2.927595|5.364857|3.506400|0.094561|3.038732|3.233595|0.088005|4.092575|4.831920|2.340771|4.034160|2.058045|2.526796|2.597345|9.004942|6.873035|4.526800|9.167647|0.052535|0.060729|0.057737|0.063232|0.059890|0.108336|0.111236|0.197216|0.214021|0.092410|0.092786|0.500000|
|2.123115|2.376914|4.968104|3.211225|5.399275|3.912354|0.095750|4.140054|5.799015|6.304299|5.173171|4.273496|4.603756|0.109729|6.947717|0.208832|8.776796|0.175838|17.536937|8.754524|5.934169|5.973891|6.020981|8.517341|3.657639|6.358584|4.028567|0.102642|3.374676|3.395807|0.088304|4.321490|5.052389|2.404690|4.094934|2.116295|3.068773|3.185019|8.380543|6.962249|5.792369|7.936392|0.053415|0.060984|0.057156|0.067032|0.062065|0.097074|0.108474|0.141896|0.195282|0.108036|0.098204|0.304943|0.500000|
|1.706156|1.849193|3.778158|2.347718|3.949189|2.817772|0.075232|2.980663|3.915252|4.307521|3.364361|3.135649|3.694768|0.090936|4.933607|0.119975|6.134928|0.183494|8.776559|17.512793|8.945635|5.514599|4.657161|6.273341|3.052776|5.780744|4.093595|0.108433|3.840439|4.599214|0.124259|6.784323|6.692325|3.092075|5.191883|2.653253|2.740172|2.564649|13.295163|6.574791|3.228828|6.847710|0.043439|0.048522|0.047131|0.050931|0.049337|0.076802|0.076005|0.113294|0.112004|0.077903|0.078342|0.230913|0.178187|0.500000|
|1.695033|1.855944|3.748942|2.353970|4.043594|2.749076|0.071465|2.845014|3.635405|3.998445|3.375732|3.162883|3.705807|0.094226|5.236166|0.138683|5.640377|0.145156|8.756421|17.545502|8.824799|6.391885|6.503302|7.939817|3.603139|6.419114|4.411303|0.107982|4.146862|4.651024|0.114606|7.246136|6.924101|3.089848|5.036896|2.697970|3.262375|2.925032|10.154062|6.081597|3.490548|5.982361|0.043410|0.048278|0.046168|0.052012|0.049412|0.071394|0.074610|0.098701|0.109767|0.081448|0.076688|0.193499|0.227783|0.305718|0.500000|
|1.605698|1.794690|3.532180|2.268245|4.102467|2.524313|0.066156|2.408745|2.812881|3.287379|3.168548|3.326224|4.118148|0.118137|5.471830|0.155978|4.297629|0.109152|4.646178|5.638170|6.844791|8.687241|17.585276|16.553445|7.081813|11.009668|7.010919|0.141035|6.783504|5.766706|0.125339|6.938768|8.515222|3.678472|5.900187|3.143433|6.686410|4.635028|8.334934|6.274069|3.350453|5.056441|0.041702|0.044873|0.043396|0.050940|0.048820|0.060310|0.063603|0.072964|0.081956|0.091356|0.079454|0.103651|0.135408|0.122953|0.174767|0.500000|
|1.835953|2.072431|4.153247|2.705753|4.841297|3.068491|0.077720|2.962071|3.580148|4.185995|4.029052|3.957858|4.678853|0.125190|7.053421|0.232272|5.646114|0.129350|6.629781|6.885272|6.669413|8.700701|17.636067|17.065510|5.842982|9.070774|5.563255|0.124279|4.633727|4.257864|0.102017|5.374876|6.281705|2.873184|4.771215|2.505208|4.799715|4.433948|8.212686|6.714171|4.552773|5.958740|0.047197|0.051754|0.049230|0.059216|0.055534|0.071936|0.078614|0.089790|0.108598|0.107820|0.090563|0.136941|0.223621|0.137918|0.215225|0.303731|0.500000|
|1.443069|1.601626|3.117541|1.982785|3.603817|2.186178|0.059330|2.054074|2.327248|2.740247|2.645001|2.931924|3.741609|0.113521|4.277196|0.111326|3.424623|0.094352|3.383260|4.081974|5.606656|6.432539|6.534139|10.021849|6.467403|12.970350|8.786627|0.174845|17.642198|9.050300|0.176169|6.868102|13.436791|5.670096|8.978888|4.380025|7.201142|4.336689|8.220100|6.206555|2.625363|4.526065|0.037728|0.039875|0.039439|0.044913|0.044295|0.052815|0.053618|0.061758|0.065194|0.080084|0.073507|0.079987|0.091654|0.099261|0.114371|0.229459|0.135806|0.500000|
|1.428088|1.582961|3.081012|1.956924|3.552092|2.163867|0.060142|2.007101|2.241710|2.676036|2.576403|2.951989|3.850382|0.119112|4.007601|0.099616|3.259267|0.093768|3.037176|3.535993|4.907023|5.443111|4.665614|7.689196|5.216327|12.675510|8.909296|0.223543|17.586202|8.859872|0.216829|5.536983|12.370801|6.378936|12.040162|4.462839|5.203529|3.950415|8.469043|6.872410|2.448492|4.620405|0.037341|0.039145|0.039378|0.043904|0.044230|0.052339|0.051740|0.060055|0.061194|0.079407|0.076453|0.073425|0.079757|0.089692|0.093551|0.139263|0.103467|0.304568|0.500000|
|1.446818|1.568780|3.118517|1.936353|3.359458|2.226035|0.060628|2.236068|2.690440|3.043822|2.625470|2.656441|3.257981|0.086483|4.027369|0.098703|4.020648|0.120480|4.519594|7.050070|8.864285|5.432847|4.682407|6.287611|3.289989|6.422129|4.806381|0.122631|5.534351|8.877446|0.216241|17.510055|12.866200|5.124051|7.927112|4.107163|3.155653|2.636417|12.873606|5.896199|2.536937|5.101021|0.037403|0.040625|0.039976|0.043391|0.042606|0.058433|0.057762|0.075547|0.075551|0.068279|0.067614|0.112130|0.110023|0.207638|0.188481|0.142355|0.121802|0.141074|0.124020|0.500000|
|1.467697|1.607880|3.174544|1.992627|3.516416|2.253825|0.060330|2.223994|2.644352|3.014971|2.719068|2.783820|3.429252|0.094044|4.391320|0.113045|3.992461|0.110616|4.541643|6.757218|8.702971|6.618961|6.769581|8.297581|4.203578|7.760178|5.692733|0.129261|6.845142|8.880914|0.174287|17.579669|13.269676|4.914556|7.347643|4.062146|4.167306|3.162890|10.187168|5.791784|2.734945|4.852095|0.038080|0.041182|0.040145|0.045009|0.043671|0.057065|0.058205|0.071754|0.075932|0.073516|0.069171|0.106683|0.119670|0.162293|0.212625|0.244838|0.166715|0.201843|0.139836|0.304387|0.500000|
|1.113302|1.200668|2.295762|1.406874|2.522163|1.524064|0.041952|1.480320|1.642662|1.817577|1.725969|1.830941|2.139342|0.061838|2.315794|0.061005|2.122716|0.060633|2.176860|2.590687|3.031606|2.858415|2.846182|4.590373|2.739658|5.148864|3.200614|0.082389|4.313083|4.785558|0.118354|3.916878|12.951314|8.942438|11.002106|17.573694|3.100322|2.291634|5.058484|3.812233|1.705411|3.129585|0.029419|0.030888|0.030669|0.033481|0.033204|0.039194|0.039161|0.045133|0.045934|0.049742|0.048096|0.055679|0.058420|0.070381|0.074030|0.091328|0.071163|0.128809|0.122740|0.105421|0.112835|0.500000|
|1.074246|1.152731|2.204008|1.343365|2.396560|1.458422|0.040585|1.418338|1.565325|1.729274|1.630899|1.733959|2.018032|0.057912|2.135913|0.055510|1.993567|0.058013|2.010732|2.360717|2.753679|2.558423|2.443528|3.973031|2.374803|4.592609|2.878812|0.077581|3.716829|4.241740|0.115849|3.420233|10.406936|8.958225|13.305408|17.643391|2.572916|2.040899|4.852875|3.699724|1.583943|3.040781|0.028391|0.029733|0.029773|0.031932|0.031981|0.037931|0.037335|0.043416|0.043278|0.046701|0.046232|0.052139|0.053175|0.065598|0.065687|0.075306|0.061693|0.102526|0.110305|0.095495|0.092694|0.298578|0.500000|
|1.107349|1.186568|2.280970|1.389525|2.463356|1.519942|0.041967|1.497007|1.676741|1.838953|1.709599|1.785945|2.080250|0.058773|2.274259|0.059154|2.155568|0.062615|2.240965|2.719592|3.124059|2.774981|2.683169|4.214215|2.435787|4.631342|2.982032|0.078552|3.856525|4.800910|0.125258|4.128144|13.024726|8.933826|10.956883|17.577348|2.623819|2.056637|5.333947|3.778007|1.674599|3.192925|0.029174|0.030831|0.030628|0.032934|0.032687|0.039884|0.039486|0.046709|0.046785|0.047846|0.047105|0.058196|0.059134|0.076507|0.077169|0.084399|0.068606|0.108481|0.105944|0.120688|0.114407|0.302453|0.298372|0.500000|
|1.505232|1.696707|3.212856|2.056381|3.900659|2.141905|0.056588|1.965107|2.124209|2.423272|2.565895|2.845138|3.234664|0.102330|3.482678|0.104972|2.769133|0.071272|2.730122|2.868890|3.250242|4.079259|5.246515|12.399276|8.869552|10.116736|4.445274|0.101697|4.328243|3.366725|0.081217|3.272969|5.599023|2.790515|4.693019|2.537777|17.578475|7.251072|4.950908|4.896786|2.760228|3.873639|0.039856|0.041450|0.040321|0.048889|0.047073|0.049721|0.052917|0.054524|0.060885|0.085004|0.070242|0.065808|0.080582|0.069372|0.083247|0.155505|0.123350|0.145646|0.111664|0.077104|0.100000|0.076744|0.064020|0.065565|0.500000|
|1.447269|1.625477|3.089572|1.975299|3.723051|2.081712|0.056199|1.896896|2.050945|2.381819|2.479607|2.841425|3.375501|0.110331|3.480971|0.098635|2.743691|0.072901|2.622586|2.819440|3.380679|4.221386|4.765282|10.153279|8.831228|12.923044|5.332316|0.122461|5.555438|3.929359|0.095048|3.492308|6.514028|3.334219|5.730685|2.940042|17.583748|6.750585|5.341832|5.306926|2.536495|3.924722|0.038278|0.039600|0.039177|0.046184|0.045519|0.048588|0.050309|0.053276|0.057547|0.083093|0.071722|0.063431|0.074441|0.069273|0.079337|0.142297|0.107101|0.187355|0.155293|0.081428|0.102510|0.088936|0.074588|0.073385|0.300259|0.500000|
|1.457488|1.628468|3.127366|1.993995|3.697190|2.137036|0.056925|1.992299|2.211710|2.550018|2.582116|2.840614|3.407551|0.105664|3.850708|0.110239|3.053507|0.080122|3.065666|3.436987|4.124273|5.100914|6.658918|12.754134|8.681625|11.800454|5.815755|0.123528|6.459043|4.705137|0.106215|4.455022|7.826513|3.687984|5.982786|3.254562|17.629820|5.520533|6.030104|5.309026|2.700154|4.099963|0.038348|0.040301|0.039374|0.046376|0.044985|0.050662|0.053017|0.057572|0.063181|0.081295|0.070195|0.072873|0.088221|0.082427|0.100697|0.235516|0.143026|0.262468|0.154477|0.100103|0.141710|0.099769|0.079299|0.083094|0.303548|0.301458|0.500000|
|2.008688|2.378796|4.591870|3.142576|6.297988|3.245276|0.085514|2.713035|2.833882|3.472612|4.141423|5.400409|5.901149|0.219104|5.224877|0.166001|3.733665|0.092771|3.229624|3.049239|3.453500|4.806648|5.033470|13.120556|8.879707|13.177812|5.099684|0.129857|3.856109|3.058459|0.079617|3.012665|4.650618|2.369298|4.233652|2.067149|5.538037|17.612745|5.649166|7.631724|4.291299|5.490587|0.052432|0.054153|0.053674|0.068245|0.067298|0.067112|0.071254|0.069723|0.078347|0.186880|0.125923|0.076784|0.094091|0.073018|0.081634|0.117702|0.122186|0.106951|0.101368|0.071899|0.083666|0.058926|0.053464|0.054052|0.145377|0.139500|0.123250|0.500000|
|1.709544|1.973962|3.731653|2.453535|4.819552|2.515883|0.067833|2.180921|2.279387|2.702428|3.026978|3.725864|4.210109|0.150234|3.871971|0.114267|2.947998|0.076463|2.653480|2.640530|3.055662|4.013470|4.255189|10.308774|8.866525|13.083883|4.754066|0.120103|3.989025|3.046969|0.078656|2.852333|4.795838|2.497692|4.477755|2.197184|6.964429|17.581149|5.040899|6.183139|3.083857|4.441160|0.045204|0.046101|0.045993|0.056368|0.056172|0.055300|0.057674|0.057747|0.063071|0.117856|0.093603|0.064309|0.076051|0.064641|0.071898|0.109504|0.100759|0.114378|0.110843|0.068211|0.080097|0.063618|0.057197|0.056386|0.180816|0.201284|0.140156|0.300403|0.500000|
|1.795073|2.084327|3.932973|2.594826|5.135987|2.627572|0.068582|2.302922|2.414892|2.804876|3.203839|3.721527|3.979626|0.131408|3.969538|0.127192|3.050138|0.076320|2.843117|2.768046|3.058387|4.027825|4.783155|13.077260|8.860909|10.308240|4.209620|0.102455|3.556196|2.844951|0.072148|2.821954|4.517306|2.295899|4.008878|2.057180|6.986327|17.587730|4.839944|5.621876|3.525390|4.422332|0.047448|0.048884|0.047621|0.060734|0.058374|0.057383|0.062060|0.060271|0.068613|0.120908|0.089837|0.068476|0.084978|0.066646|0.077325|0.120173|0.118432|0.105832|0.093253|0.067666|0.081741|0.059947|0.052985|0.053799|0.219731|0.165303|0.144255|0.300922|0.299794|0.500000|
|1.648164|1.795415|3.653460|2.289219|3.890964|2.749363|0.076873|2.754747|3.411917|4.091212|3.264454|3.314305|4.221377|0.104701|5.090100|0.113010|5.662919|0.204976|5.497969|7.389887|9.754365|5.930882|4.255916|6.042131|3.189552|6.623079|5.103176|0.150131|4.812484|6.220655|0.200696|7.503347|8.065107|3.838006|6.840507|3.052618|2.828764|2.669999|35.708443|8.509677|2.917974|7.304512|0.042090|0.046030|0.046091|0.048811|0.048882|0.072780|0.068414|0.098300|0.090581|0.080648|0.085732|0.138354|0.119609|0.232323|0.152856|0.112939|0.111493|0.111948|0.114928|0.220908|0.149120|0.078069|0.076324|0.085533|0.069314|0.074178|0.083785|0.076295|0.069198|0.066956|0.500000|
|2.128055|2.450224|5.040699|3.394466|6.018293|4.063547|0.125089|3.348525|3.571056|4.925319|4.914827|7.016945|9.766427|0.240121|5.899382|0.133111|5.057254|0.151400|3.645044|3.404286|4.030790|4.742668|3.597303|6.412784|3.742494|8.434893|5.052861|0.180843|3.761359|3.384504|0.100414|3.245198|4.835810|2.545902|4.856259|2.122603|2.960903|3.640272|8.437234|35.741599|3.726665|10.059486|0.053999|0.056816|0.059995|0.065129|0.070015|0.087926|0.079821|0.092729|0.087815|0.155053|0.218628|0.090397|0.091818|0.087170|0.081640|0.087150|0.090895|0.089659|0.102452|0.081329|0.080257|0.057047|0.055929|0.056075|0.073284|0.080738|0.077906|0.116921|0.097348|0.085422|0.111533|0.500000|
|3.392437|4.155017|9.394926|6.698930|10.658778|7.478840|0.146543|7.244276|6.938707|6.390720|8.680682|5.462622|4.265800|0.103130|4.616111|0.152032|4.985555|0.110722|4.608323|3.411857|3.082601|3.481360|3.488961|6.351007|2.993291|5.113267|2.868666|0.077622|2.379836|2.257858|0.060855|2.512970|3.492902|1.763932|3.100842|1.584371|2.477009|3.042723|5.132029|6.213531|17.570869|8.101731|0.081986|0.098347|0.086744|0.122245|0.101917|0.143017|0.221392|0.139255|0.222751|0.149051|0.125782|0.121906|0.147098|0.083986|0.089720|0.081643|0.108798|0.064616|0.060296|0.064938|0.069020|0.044002|0.041026|0.043533|0.067859|0.062180|0.066448|0.096768|0.073443|0.083699|0.073855|0.088039|0.500000|
|3.098632|3.953418|8.313512|6.487427|12.966654|6.407776|0.137680|4.995087|4.820733|5.450964|8.746139|7.134910|5.141226|0.130431|5.145009|0.183010|4.689107|0.105401|4.071047|3.232076|3.129185|3.810708|3.891096|7.762854|3.683907|6.133023|3.245826|0.087122|2.611165|2.375651|0.063531|2.569587|3.653053|1.849395|3.267599|1.650798|2.914019|3.989580|5.177329|6.860466|17.620584|7.399845|0.077186|0.085586|0.079395|0.118435|0.103529|0.109676|0.138081|0.105295|0.139160|0.235663|0.151691|0.101217|0.127618|0.078080|0.085405|0.089080|0.115988|0.071211|0.066580|0.064775|0.070878|0.046179|0.042779|0.044780|0.080278|0.072775|0.075567|0.134913|0.093409|0.109861|0.072690|0.099115|0.304132|0.500000|
|2.637078|3.139280|6.686664|4.724539|8.257618|5.559673|0.123285|5.111151|5.999369|6.919465|8.580439|6.290620|5.514113|0.132114|6.929743|0.276353|6.689136|0.135256|6.214256|4.443723|4.032398|4.898760|5.101902|9.250376|3.985491|6.639234|3.738111|0.097398|2.980968|2.772170|0.073106|3.154884|4.190155|2.068522|3.603807|1.832962|3.145572|3.876096|6.326681|7.335343|17.635762|8.227085|0.065719|0.074810|0.069142|0.091054|0.081390|0.110739|0.137666|0.127658|0.191906|0.172019|0.131196|0.144696|0.219228|0.102274|0.117068|0.111279|0.166921|0.081392|0.073424|0.078929|0.087466|0.051145|0.046892|0.050161|0.085086|0.076543|0.084510|0.123775|0.089419|0.105228|0.088144|0.100133|0.305515|0.302821|0.500000|
|2.474144|2.815745|6.204836|4.151618|6.632297|5.908048|0.188403|5.184167|6.026428|9.754317|7.005743|7.085961|7.406552|0.148370|6.271549|0.140653|7.833508|0.253625|4.936773|4.077435|4.249495|4.474276|3.463313|5.798231|3.059388|6.223752|3.929792|0.123824|3.102821|3.042547|0.089315|3.216327|4.408875|2.268189|4.185687|1.934198|2.495754|2.911366|8.973342|17.503505|4.586907|35.595612|0.060906|0.067464|0.070472|0.073412|0.077309|0.136649|0.112319|0.159156|0.131232|0.140365|0.204812|0.129197|0.116688|0.106996|0.093389|0.082802|0.094602|0.076573|0.080254|0.083948|0.079543|0.051774|0.050536|0.052609|0.063541|0.065751|0.067874|0.092036|0.074744|0.072431|0.124939|0.213886|0.111897|0.109966|0.120276|0.500000|
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