Version2.3
2021-04-02T13:11:41Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
30-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE COc1ccc2=[NH+][C@@H]3[C@@H](NCCC3=c2c1)[C@@H]4C(=N[C@@H](N(C4=O)c5ccccc5OC)O)O C64097904
RHF
6-31G(d)
(6D,7F)
COc1ccc2=[NH+][C@@H]3[C@@H](NCCC3=c2c1)[C@@H]4C(=N[C@@H](N(C4=O)c5ccccc5OC)O)O
C01[X(C23H25N4O5)]
165
C1
530
COc1ccc2=[NH+][C@H]3C(=c2c1)CCN[C@H]3[C@@H]1C(=N[C@@H](N(C1=O)c1ccccc1OC)O)O
COc1ccc2=[NH+][C@H]3C(=c2c1)CCN[C@H]3[C@@H]1C(=N[C@@H](N(C1=O)c1ccccc1OC)O)O
COC1=CC2=C3CCN[C@H]([C@H]3[NH+]=C2C=C1)[C@@H]4C(=N[C@H](O)N(C4=O)c5ccccc5OC)O
InChIKey=STWHJHBYQKZPJP-NVJIOZQYSA-O
InChI=1S/C23H24N4O5/c1-31-12-7-8-15-14(11-12)13-9-10-24-20(19(13)25-15)18-21(28)26-23(30)27(22(18)29)16-5-3-4-6-17(16)32-2/h3-8,11,18-20,23-24,30H,9-10H2,1-2H3,(H,26,28)/p+1/t18-,19+,20+,23+/m1/s1
InChI=1/C23H24N4O5/c1-31-12-7-8-15-14(11-12)13-9-10-24-20(19(13)25-15)18-21(28)26-23(30)27(22(18)29)16-5-3-4-6-17(16)32-2/h3-8,11,18-20,23-24,30H,9-10H2,1-2H3,(H,26,28)/p+1/t18-,19+,20+,23+/m1/s1/fC23H25N4O5/h25,28H/q+1
COc1ccc2=[NH+][C@@H]3[C@@H](NCCC3=c2c1)[C@@H]4C(=N[C@@H](N(C4=O)c5ccccc5OC)O)O
C01[X(C23H25N4O5)]
165
C01
530
COc1ccc2=[NH+][C@H]3C(=c2c1)CCN[C@H]3[C@@H]1C(=N[C@@H](N(C1=O)c1ccccc1OC)O)O
CO[C]1[CH]=[CH][C]2[C](=C3CCN[C@H]([C@H]3[NH]2)[C@@H]2C(=N[C@@H](N(C2=O)[C]2[CH][CH][CH][CH][C]2OC)O)O)C=1
CO[C]1[CH][CH][CH][CH][C]1N2[C@@H](O)N=C(O)[C@@H]([C@@H]3NCCC4=C5C=C(OC)C=C[C]5N[C@H]34)C2=O
InChIKey=CBMWVTWNSJYFSD-NVJIOZQYSA-N
InChI=1S/C23H25N4O5/c1-31-12-7-8-15-14(11-12)13-9-10-24-20(19(13)25-15)18-21(28)26-23(30)27(22(18)29)16-5-3-4-6-17(16)32-2/h3-8,11,18-20,23-25,30H,9-10H2,1-2H3,(H,26,28)/t18-,19+,20+,23+/m1/s1
InChI=1/C23H25N4O5/c1-31-12-7-8-15-14(11-12)13-9-10-24-20(19(13)25-15)18-21(28)26-23(30)27(22(18)29)16-5-3-4-6-17(16)32-2/h3-8,11,18-20,23-25,30H,9-10H2,1-2H3,(H,26,28)/t18-,19+,20+,23+/m1/s1/f/h28H
3476.0945157200
-1477.4199057
1-A
12823.2706
115
415
530
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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8.95601
3.3604 2.2001 2.4269
4.6928
|XX|YY|ZZ|XY|XZ|YZ|
-104.9184 -139.0469 -170.3518 1.7167 -3.4487 -4.4394
|XX|YY|ZZ|XY|XZ|YZ|
33.1873 -0.9411 -32.2461 1.7167 -3.4487 -4.4394
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
178.1343 56.9106 13.7831 -40.5791 -37.3783 -55.1876 -36.3046 5.6975 -6.8521 11.8429
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-7852.8980 -4275.0950 -1483.4936 -189.5728 -340.3798 -22.2148 -120.7093 -70.4296 -54.8382 -2078.7324 -1752.5517 -1056.1521 158.6138 2.3181 1.9291
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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
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15.0842 30.8675 46.9664 63.0049 73.4612 77.9664 85.5812 102.9320 104.8560 115.0694 143.8626 148.8910 157.6334 165.0670 168.5144 173.8190 186.8089 212.7386 234.9063 259.7058 267.1101 280.9854 291.8554 297.4421 339.1141 353.8543 383.9022 387.2483 399.4484 407.5392 445.4508 454.4734 471.0701 488.8215 515.7266 530.2248 534.0967 541.1406 551.9031 572.3611 580.3191 598.3090 621.3500 630.5123 633.4720 636.2513 647.2363 660.2646 711.4419 715.0115 720.0891 770.8759 780.5674 803.5857 808.3199 814.1504 841.5541 851.4970 859.7621 867.6096 880.2298 885.5081 902.2770 917.4232 935.4510 944.6885 959.9659 991.4442 1001.4953 1046.9632 1058.3007 1065.7330 1074.5798 1084.9723 1094.0049 1127.3623 1131.1405 1134.4733 1145.3190 1148.4657 1165.7842 1179.0088 1196.6630 1206.9618 1213.8707 1215.0354 1223.7092 1248.9876 1265.3254 1274.6078 1282.1257 1290.0275 1294.0462 1315.7892 1318.0774 1325.3960 1326.9706 1342.5035 1352.1904 1359.9273 1363.3655 1384.0105 1386.7552 1407.6548 1418.3802 1419.0982 1425.3582 1442.3553 1449.8514 1463.5949 1475.6874 1479.0469 1485.3420 1530.0316 1538.4635 1546.7927 1558.3901 1580.0999 1587.0832 1608.0890 1616.6368 1619.0940 1630.1205 1631.3160 1641.8804 1644.4379 1647.7183 1648.2246 1653.4055 1654.1299 1673.3722 1684.0030 1699.7458 1767.0957 1787.6659 1805.9185 1807.3902 1868.1771 1943.7710 1960.4966 3211.5068 3221.9954 3222.2476 3243.5760 3243.9598 3288.3440 3292.5092 3295.5546 3299.3278 3305.9868 3315.0261 3322.0797 3345.9425 3360.0409 3374.1898 3381.0539 3392.5240 3403.4943 3404.6685 3422.1263 3425.1643 3715.3348 3818.9442 4029.1993 4077.6763
5.8522 5.3202 5.1833 4.6451 4.2571 4.3425 5.1065 3.1709 3.6971 3.2886 4.1881 2.0342 4.3478 5.5501 3.1497 3.3091 3.4985 5.0505 2.5904 1.7783 3.9154 3.4651 3.1216 3.7761 6.2171 4.1602 4.3402 1.4747 2.4949 6.0026 3.8222 4.4051 5.4952 2.9742 4.9561 3.9000 5.0217 4.2793 3.5612 4.1806 4.6083 4.4499 3.9618 1.7181 3.7215 4.0502 3.5212 6.0413 3.5335 3.3442 2.7749 4.2779 5.3821 4.3949 3.3059 3.1721 2.4755 2.2593 2.1714 1.6267 2.8712 3.8618 4.2366 3.0784 1.6637 1.5670 2.5563 1.4702 3.3947 3.7720 3.8567 3.2176 3.0697 1.3994 2.4535 1.5215 3.4664 1.3314 5.2652 2.2902 4.1084 2.9336 2.5248 3.2127 2.7347 2.6121 2.0014 2.4833 1.5368 2.3487 2.7206 1.2977 1.2683 1.5219 1.4473 1.6640 1.4038 1.8187 1.6037 1.5389 1.4368 1.4292 2.1040 2.6399 1.8100 1.4311 1.9488 1.5308 1.6470 1.6101 1.7994 1.8676 1.7889 1.8107 1.6820 1.4362 1.3615 3.3283 2.8027 1.6345 1.7589 1.2996 1.3821 1.2722 1.3249 1.2329 1.0467 1.4208 1.0523 1.0638 1.1160 2.7381 3.9558 5.0122 6.5598 5.9305 5.7798 6.5581 9.3823 11.0601 1.0723 1.0352 1.0640 1.0679 1.0440 1.0978 1.1086 1.0983 1.0886 1.0892 1.0867 1.1078 1.1085 1.1030 1.0887 1.0918 1.0950 1.0989 1.0907 1.0993 1.0932 1.0854 1.0764 1.0653 1.0664
0.0008 0.0030 0.0067 0.0109 0.0135 0.0156 0.0220 0.0198 0.0239 0.0257 0.0511 0.0266 0.0637 0.0891 0.0527 0.0589 0.0719 0.1347 0.0842 0.0707 0.1646 0.1612 0.1567 0.1968 0.4212 0.3069 0.3769 0.1303 0.2345 0.5874 0.4469 0.5361 0.7185 0.4187 0.7767 0.6460 0.8440 0.7383 0.6391 0.8069 0.9144 0.9385 0.9012 0.4024 0.8799 0.9660 0.8691 1.5517 1.0537 1.0073 0.8478 1.4978 1.9321 1.6721 1.2727 1.2388 1.0330 0.9651 0.9457 0.7215 1.3107 1.7841 2.0321 1.5266 0.8578 0.8239 1.3879 0.8515 2.0061 2.4360 2.5450 2.1532 2.0884 0.9706 1.7301 1.1393 2.6131 1.0096 4.0693 1.7798 3.2897 2.4026 2.1302 2.7575 2.3741 2.2720 1.7658 2.2824 1.4497 2.2482 2.6350 1.2724 1.2513 1.5524 1.4814 1.7222 1.4564 1.9312 1.7276 1.6768 1.5735 1.6129 2.3840 3.0819 2.1455 1.6981 2.3327 1.8763 2.0398 2.0321 2.3087 2.4072 2.3253 2.4974 2.3455 2.0246 1.9482 4.8960 4.1594 2.4903 2.7085 2.0073 2.1639 1.9947 2.1044 1.9644 1.6744 2.2742 1.6950 1.7149 1.8412 4.5750 6.7337 9.2214 12.3514 11.3956 11.1242 13.4853 20.8857 25.0462 6.5162 6.3319 6.5090 6.6194 6.4728 6.9941 7.0809 7.0278 6.9818 7.0140 7.0360 7.2031 7.3119 7.3371 7.3027 7.3538 7.4252 7.4998 7.4492 7.5853 7.5566 8.8275 9.2495 10.1892 10.4473
0.4583 0.5207 0.9769 0.8374 1.0668 3.1482 0.8298 0.8863 2.0234 2.7793 4.2736 0.2591 5.4782 1.6825 4.6106 3.0162 3.1481 8.7177 2.0653 1.5778 3.6270 0.7185 2.5958 2.6236 7.5626 0.3306 3.3361 94.3848 32.8618 6.9513 3.0666 16.6572 9.8778 27.6308 9.3611 5.9637 9.0314 21.6877 10.6076 20.7422 5.8014 10.4443 9.1185 88.4584 12.9908 57.7095 5.5244 12.6923 8.0198 12.5916 55.3277 41.3525 7.0672 22.4769 27.9084 14.7972 8.1579 15.1194 55.5982 15.4350 56.4920 30.5874 48.5771 25.8022 51.2656 57.2624 10.0767 3.1796 13.6453 40.1979 2.7432 11.7241 6.2510 1.2723 4.3752 12.9585 68.6216 0.2234 51.7347 24.7577 54.4744 35.3180 33.5353 17.3272 101.7793 50.4691 111.4595 9.7720 45.1413 30.1100 95.1635 11.3186 3.7499 10.5629 14.8067 17.8435 15.3561 63.5914 38.9452 15.8519 45.0329 98.4128 119.2227 254.9011 78.0594 71.3084 58.3999 6.0120 8.6498 44.4667 2.4530 117.3654 18.2990 45.7966 32.0988 74.7524 47.2890 171.6004 174.5536 46.2609 24.2126 17.8145 23.6169 4.4617 73.7518 21.0099 9.3315 72.1642 21.8192 2.6739 5.9250 257.2078 321.3335 4.9572 10.2487 300.9333 69.8162 34.7229 241.1358 613.5898 30.7039 25.5416 11.2601 13.2745 36.2786 20.5409 37.2592 24.6053 0.1676 40.0900 3.7594 38.6021 16.9051 20.6045 1.2853 4.7266 13.2084 10.9286 0.1392 0.1050 5.2929 745.7440 21.8602 172.5037 121.5427
2.1623 3.9363 0.6473 1.3307 3.7424 3.1734 0.5252 1.1943 1.5970 0.3529 2.0194 1.3679 0.9963 1.2631 0.6374 0.4775 1.0668 1.4269 1.5483 1.7023 1.7383 0.4406 2.0553 1.4889 1.1016 1.2000 4.8241 1.1489 3.3549 3.5037 2.2892 2.6288 1.6847 7.1518 0.9169 4.2777 3.0472 2.4046 4.4120 2.1932 3.1265 3.6000 0.4375 1.6002 0.6809 2.8263 1.8191 2.6337 2.3129 2.8685 6.6697 0.9937 8.4227 5.3520 1.7769 1.8406 0.7564 1.6452 3.5331 1.2047 1.7567 7.2955 10.6382 4.6033 1.5780 7.7563 4.9752 2.0967 3.5479 1.0340 7.8613 4.5351 8.9028 0.7036 8.7216 1.2893 8.7151 2.6373 9.0890 15.2112 2.1328 11.4890 3.7723 5.5296 6.7550 11.2664 0.8988 3.6215 7.1278 3.4048 2.8613 7.0607 4.1090 3.7749 20.6563 3.9216 6.7637 8.2430 7.9938 13.3746 33.3154 10.3343 9.2724 11.1705 6.2200 49.1463 6.6774 8.0955 2.1102 10.2752 51.0561 4.7406 7.3607 5.6157 12.8809 4.9510 9.5621 5.3482 78.2413 12.6235 1.7052 25.3536 5.1718 7.5098 6.4360 9.3857 23.2339 10.1698 9.7929 14.8352 12.0442 12.6261 441.7301 35.7760 11.5762 12.5534 23.0243 131.5595 30.5825 3.7086 85.6653 71.8719 113.9646 57.7068 162.1309 67.8870 29.1608 186.5349 85.7544 89.3752 10.4994 60.5755 36.1398 149.2805 26.8211 90.1602 56.4320 255.5972 80.0275 120.6424 54.2019 153.4269 117.2631 108.0229 118.9927
0.7367 0.7284 0.7340 0.7308 0.7478 0.7325 0.6873 0.6970 0.7167 0.5974 0.6283 0.7498 0.3774 0.6965 0.7378 0.6859 0.7447 0.7181 0.6899 0.7451 0.5812 0.1515 0.5934 0.4628 0.5478 0.6740 0.3753 0.7367 0.4758 0.1402 0.1446 0.4805 0.7410 0.2876 0.7156 0.3480 0.7194 0.3927 0.2222 0.4733 0.2005 0.2346 0.7500 0.6980 0.1583 0.2051 0.7316 0.7311 0.2947 0.4792 0.6885 0.2454 0.0936 0.1299 0.5694 0.7462 0.7387 0.3735 0.6755 0.3451 0.2971 0.5322 0.0947 0.5977 0.5247 0.7398 0.2501 0.7483 0.4201 0.3003 0.6315 0.3946 0.2149 0.4354 0.4755 0.6914 0.5619 0.7492 0.3749 0.0641 0.4873 0.5628 0.2961 0.7386 0.6539 0.3988 0.6998 0.3528 0.6370 0.6128 0.1936 0.5807 0.7497 0.2656 0.4964 0.2986 0.4179 0.2566 0.6337 0.6041 0.5752 0.1815 0.6983 0.2396 0.1783 0.2025 0.4304 0.7473 0.7118 0.7494 0.2032 0.7500 0.4771 0.7300 0.6459 0.4140 0.6823 0.3162 0.4097 0.7406 0.7482 0.5404 0.6815 0.5810 0.4084 0.7008 0.7463 0.7194 0.3630 0.7440 0.6752 0.1318 0.1584 0.5031 0.6110 0.3516 0.7466 0.3155 0.2172 0.7292 0.1384 0.0867 0.1592 0.6750 0.0460 0.4182 0.7479 0.3467 0.2974 0.2408 0.4402 0.7157 0.7442 0.4603 0.6420 0.6814 0.7076 0.1264 0.5418 0.1786 0.2586 0.3465 0.2882 0.3164 0.3037
0.8484 0.8428 0.8466 0.8445 0.8557 0.8456 0.8147 0.8215 0.8350 0.7480 0.7717 0.8570 0.5480 0.8211 0.8491 0.8137 0.8537 0.8359 0.8165 0.8539 0.7351 0.2631 0.7449 0.6327 0.7078 0.8052 0.5458 0.8484 0.6448 0.2459 0.2526 0.6491 0.8512 0.4467 0.8343 0.5163 0.8368 0.5639 0.3637 0.6425 0.3341 0.3800 0.8571 0.8221 0.2733 0.3403 0.8450 0.8447 0.4553 0.6479 0.8155 0.3941 0.1712 0.2300 0.7256 0.8546 0.8497 0.5439 0.8063 0.5132 0.4581 0.6947 0.1731 0.7482 0.6883 0.8504 0.4001 0.8560 0.5917 0.4619 0.7741 0.5659 0.3537 0.6066 0.6446 0.8176 0.7195 0.8567 0.5454 0.1204 0.6553 0.7202 0.4569 0.8496 0.7908 0.5702 0.8234 0.5216 0.7782 0.7599 0.3244 0.7347 0.8569 0.4197 0.6634 0.4599 0.5895 0.4084 0.7758 0.7532 0.7303 0.3072 0.8223 0.3866 0.3026 0.3368 0.6018 0.8554 0.8316 0.8568 0.3377 0.8571 0.6460 0.8439 0.7849 0.5856 0.8111 0.4805 0.5813 0.8510 0.8560 0.7017 0.8106 0.7350 0.5800 0.8241 0.8547 0.8368 0.5326 0.8532 0.8061 0.2328 0.2735 0.6694 0.7586 0.5203 0.8549 0.4797 0.3569 0.8434 0.2431 0.1595 0.2746 0.8060 0.0880 0.5897 0.8557 0.5149 0.4585 0.3882 0.6113 0.8343 0.8533 0.6304 0.7820 0.8105 0.8288 0.2244 0.7028 0.3031 0.4109 0.5147 0.4474 0.4807 0.4659
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
6 8 6 6 6 6 7 1 6 1 6 1 7 6 6 6 6 6 6 1 6 7 6 1 7 6 8 6 6 6 6 6 6 8 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 1.00783 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 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
9003.3360 15902.8999 20936.4402
0.99986 0.01492 -0.00772 -0.01490 0.99988 0.00284 0.00776 -0.00273 0.99997
1
0.00962 0.00545 0.00414
0.20045 0.11349 0.08620
21.70 44.41 67.57 90.65 105.69 112.18 123.13 148.10 150.86 165.56 206.99 214.22 226.80 237.49 242.45 250.09 268.78 306.08 337.98 373.66 384.31 404.28 419.91 427.95 487.91 509.12 552.35 557.16 574.72 586.36 640.90 653.89 677.76 703.31 742.02 762.88 768.45 778.58 794.07 823.50 834.95 860.83 893.98 907.17 911.42 915.42 931.23 949.97 1023.61 1028.74 1036.05 1109.12 1123.06 1156.18 1162.99 1171.38 1210.81 1225.11 1237.01 1248.30 1266.45 1274.05 1298.18 1319.97 1345.91 1359.20 1381.18 1426.47 1440.93 1506.35 1522.66 1533.35 1546.08 1561.03 1574.03 1622.02 1627.46 1632.25 1647.86 1652.39 1677.30 1696.33 1721.73 1736.55 1746.49 1748.16 1760.64 1797.01 1820.52 1833.88 1844.69 1856.06 1861.84 1893.13 1896.42 1906.95 1909.21 1931.56 1945.50 1956.63 1961.58 1991.28 1995.23 2025.30 2040.73 2041.77 2050.77 2075.23 2086.01 2105.79 2123.19 2128.02 2137.08 2201.37 2213.51 2225.49 2242.18 2273.41 2283.46 2313.68 2325.98 2329.52 2345.38 2347.10 2362.30 2365.98 2370.70 2371.43 2378.88 2379.92 2407.61 2422.90 2445.56 2542.46 2572.05 2598.31 2600.43 2687.89 2796.65 2820.72 4620.64 4635.73 4636.10 4666.78 4667.33 4731.19 4737.19 4741.57 4747.00 4756.58 4769.58 4779.73 4814.06 4834.35 4854.71 4864.58 4881.09 4896.87 4898.56 4923.68 4928.05 5345.54 5494.61 5797.12 5866.87
0.503263
0.529086
0.530030
0.446895
-1476.916643
-1476.890820
-1476.889876
-1476.973011
2.788362D-04
MUNgauss
RevisionA2.1
retrievium
02-Apr-2021
DUDE COc1ccc2=[NH+][C@@H]3[C@@H](NCCC3=c2c1)[C@@H]4C(=N[C@@H](N(C4=O)c5ccccc5OC)O)O C64097904
RHF
6-31G(d)
(6D,10F)
C1
437.182495
|X|Y|Z|
62.676675 87.434230 35.357757
57.866078
25
|36.858105|
|13.524123|73.516695|
|8.044428|25.437539|36.858105|
|5.226035|14.620254|13.013598|36.858105|
|3.948018|9.447398|7.692164|14.196865|36.858105|
|3.744484|8.229444|6.803533|8.079413|13.346865|36.858105|
|3.009942|6.258210|4.659139|5.282721|7.740721|14.608838|53.358707|
|2.672186|5.548907|3.957017|4.674144|6.855722|9.308174|25.784044|0.500000|
|2.885321|5.690291|4.108564|4.166901|5.209201|8.435097|17.948199|0.243230|36.858105|
|2.646710|5.141835|3.599874|3.640112|4.426337|6.427170|12.499764|0.201477|17.552543|0.500000|
|2.492307|4.794085|3.296088|3.324552|3.970544|5.465183|10.035611|0.180348|12.269857|0.250639|36.858105|
|2.221370|4.281865|2.887775|2.987992|3.596000|4.686777|8.870301|0.179568|8.898593|0.227510|17.630937|0.500000|
|2.409815|4.476097|3.000052|2.889731|3.266119|4.293915|6.980848|0.124920|8.101573|0.208282|13.147195|0.257835|53.358707|
|2.716348|4.908148|3.275668|2.993559|3.237822|4.203424|6.156018|0.106825|6.568568|0.162219|7.691652|0.157096|17.825949|36.858105|
|3.284568|5.924693|4.088115|3.561972|3.788041|5.115710|6.984373|0.114225|7.426338|0.184928|6.328805|0.134222|10.603769|12.383942|36.858105|
|3.556864|6.873671|5.150129|4.663344|5.302945|8.493395|11.276260|0.161768|12.715065|0.250042|7.548699|0.154693|9.443300|7.713834|12.759114|36.858105|
|4.445699|9.236859|7.975199|6.882367|7.628288|13.160952|11.437477|0.163855|8.199445|0.175448|5.428416|0.121642|6.452420|5.175382|7.321117|14.130213|36.858105|
|6.698824|14.140053|14.200380|7.804967|6.568335|7.595579|7.175256|0.117291|5.068252|0.120471|3.920846|0.091892|4.970139|4.171033|5.686221|7.423983|13.164887|36.858105|
|2.500148|4.833067|3.282039|3.345461|3.930959|5.036598|8.212968|0.157245|7.146532|0.150011|12.113921|0.245933|10.212907|6.140983|5.007400|5.832005|4.895904|3.776188|36.858105|
|2.779520|5.324903|3.631101|3.566586|4.033650|5.133439|7.521016|0.136676|6.458433|0.134909|8.649803|0.173208|9.218931|6.731609|5.545645|6.295531|5.411223|4.279419|17.641764|0.500000|
|2.123802|4.016754|2.622491|2.654029|3.012588|3.607787|5.692781|0.114454|4.842742|0.115078|7.638763|0.198723|8.680296|5.174448|3.970580|4.157413|3.562683|2.946552|12.636228|0.248605|36.858105|
|1.899393|3.606895|2.323679|2.399884|2.735271|3.167098|5.038895|0.106310|4.058196|0.100873|5.832496|0.174955|6.661121|3.961615|3.224669|3.413032|3.021202|2.543146|7.782406|0.162967|15.249562|53.358707|
|1.881179|3.637213|2.355519|2.512693|2.943479|3.353957|5.504912|0.123711|4.134195|0.103507|5.516379|0.179291|5.807437|3.442689|2.989984|3.322635|3.028592|2.525083|6.801293|0.140590|8.245984|18.072297|36.858105|
|1.737242|3.349650|2.134866|2.285134|2.634362|2.899385|4.594609|0.103346|3.368766|0.085890|4.206084|0.131891|4.703260|2.906764|2.566276|2.814201|2.626413|2.250607|5.062578|0.114020|6.105092|12.718087|17.657117|0.500000|
|2.110150|4.173711|2.752145|3.026026|3.666919|4.153915|6.874117|0.161070|4.716679|0.112049|5.834031|0.175039|5.688444|3.497367|3.180892|3.746430|3.550848|2.910678|7.833724|0.162221|7.046419|10.723182|13.162617|0.259080|53.358707|
|2.462796|4.915728|3.338980|3.638418|4.474015|5.360960|8.755374|0.189085|5.983819|0.129813|7.370579|0.188638|6.681934|4.236798|3.890426|4.808154|4.576423|3.612023|12.528536|0.251778|7.765866|9.210860|7.746145|0.163608|19.133593|36.858105|
|2.762599|5.687634|3.936151|4.477721|5.648862|6.378470|9.239842|0.195064|5.566957|0.120157|5.746201|0.142786|5.643523|3.841157|3.773565|4.854668|5.113184|4.106559|8.033353|0.211979|5.423473|6.532015|5.341998|0.125669|11.517937|15.905499|73.516695|
|2.008701|4.023603|2.615888|2.977888|3.626369|3.818184|6.080069|0.149856|3.874233|0.095497|4.270573|0.127937|4.441682|2.831595|2.687711|3.176449|3.154631|2.665604|5.072363|0.118022|4.622012|7.009786|7.710583|0.206453|18.144515|7.942728|12.414708|36.858105|
|1.863709|3.704152|2.347831|2.649256|3.088617|3.128949|4.697581|0.109722|3.074565|0.076873|3.363401|0.098080|3.710027|2.444026|2.316567|2.659308|2.677699|2.353674|4.039225|0.099596|3.916914|6.014006|5.933456|0.185349|10.625790|5.680871|9.625126|13.754314|36.858105|
|1.748775|3.484954|2.174138|2.481613|2.853127|2.786301|4.088556|0.095365|2.643840|0.067512|2.781615|0.080987|3.153527|2.106955|2.036912|2.326670|2.381231|2.137151|3.173360|0.080450|3.056038|4.584599|4.258960|0.131189|6.986913|4.167121|7.469266|7.922531|13.768922|36.858105|
|1.755193|3.529770|2.207119|2.569321|2.999175|2.872936|4.235478|0.101195|2.666187|0.069107|2.709284|0.079583|3.066323|2.041147|2.011421|2.324381|2.401175|2.148788|2.953459|0.074802|2.767435|4.073159|3.769917|0.110626|6.174322|3.813207|6.965899|6.876048|7.965479|13.757885|36.858105|
|1.877202|3.809283|2.429538|2.872632|3.493619|3.384561|5.171840|0.130259|3.139536|0.081701|3.119508|0.093147|3.440479|2.250714|2.240678|2.647797|2.730304|2.381329|3.291884|0.081735|2.982394|4.337722|4.115675|0.114362|6.991320|4.318359|7.843815|7.934131|6.890445|7.932175|13.759467|36.858105|
|2.016809|4.089414|2.670997|3.129430|3.935304|4.043130|6.581881|0.175592|3.937875|0.100024|4.013286|0.122342|4.201091|2.673979|2.626576|3.165683|3.196573|2.685030|4.284539|0.101845|3.763971|5.490285|5.571035|0.145472|10.616324|6.057874|10.403513|13.706379|7.940851|6.860855|7.941286|13.760161|36.858105|
|2.132376|4.335687|2.893209|3.389193|4.439303|4.832784|8.710384|0.266283|4.940847|0.128107|4.751836|0.149605|4.808131|2.978038|2.981754|3.704666|3.676342|2.965423|4.584567|0.107078|3.837092|5.387621|5.229615|0.126706|9.324715|6.025256|10.134595|7.994747|5.225506|4.596066|5.214851|7.966560|13.920369|73.516695|
|1.905059|3.803420|2.488259|2.831584|3.536407|3.856579|6.756243|0.181275|4.257267|0.119867|4.147959|0.137080|4.459811|2.725133|2.713594|3.234674|3.121086|2.569336|3.766700|0.088870|3.357129|4.827161|4.568005|0.113995|6.924653|4.415163|7.232840|5.598314|4.155550|3.846690|4.426293|6.312200|8.054939|23.839672|36.858105|
|1.808091|3.490495|2.263954|2.417042|2.855815|3.295435|5.620677|0.128918|4.304425|0.114098|5.630947|0.210589|5.997185|3.388291|2.983434|3.308690|2.958298|2.438936|5.637410|0.118877|6.214322|11.151732|13.644946|0.260689|11.261578|5.912612|7.875021|6.243828|4.718455|3.735746|3.552321|4.072456|5.473102|10.207882|5.637056|73.516695|
|2.092391|3.865114|2.482751|2.435984|2.674392|3.167427|4.775328|0.093230|4.158224|0.101578|6.021375|0.149579|8.455191|5.634898|4.026827|3.883813|3.298275|2.823422|8.020458|0.212433|14.365279|11.550458|5.363219|0.124684|6.473548|5.307604|7.535545|3.519788|3.142519|2.559290|2.334210|2.474892|2.989172|5.433982|2.753917|8.002462|73.516695|
|17.678987|16.964076|5.907398|4.424692|3.413753|3.167422|3.559087|0.065831|2.493692|0.064253|2.193620|0.055079|2.889264|2.359594|2.771795|2.966218|3.583237|4.899335|2.214812|0.067658|1.915653|2.359667|1.722525|0.044608|2.615301|2.205484|4.379270|1.850948|1.738719|1.649012|1.656888|1.755523|1.860791|3.461324|1.752052|2.943344|3.359641|0.500000|
|17.579121|16.449337|7.085601|4.733368|3.742563|3.677816|4.077756|0.073627|2.936163|0.073785|2.593111|0.063461|3.444530|2.918327|3.486787|3.679467|4.493151|6.693038|2.649964|0.083665|2.254821|2.714439|1.948109|0.049897|2.965489|2.569692|5.108397|2.046439|1.905116|1.769795|1.754224|1.864911|2.020705|3.770685|1.886466|3.293169|4.000475|0.299582|0.500000|
|17.578824|16.447553|7.079901|4.726977|3.741493|3.679939|4.083338|0.073390|2.934580|0.076192|2.499526|0.061962|3.344848|2.786687|3.465492|3.672879|4.493162|6.692547|2.439471|0.074608|2.078351|2.529606|1.837110|0.046953|2.775668|2.365101|4.630199|1.931573|1.778384|1.667886|1.682727|1.812904|1.953210|3.721161|1.894290|3.178463|3.654186|0.299588|0.298103|0.500000|
|4.951793|13.886373|8.827248|17.736040|9.064962|5.683520|5.717798|0.108730|3.402959|0.084754|2.831264|0.072184|3.393136|2.567969|2.972292|3.692608|4.961818|5.656707|2.886344|0.084701|2.364360|2.959970|2.288074|0.058777|3.717854|3.179516|6.881343|2.760858|2.520168|2.416950|2.520006|2.768040|2.914824|5.462610|2.602918|3.906610|3.877965|0.124279|0.121619|0.121273|0.500000|
|3.311693|7.634923|5.507619|8.987268|17.766011|8.734330|9.288152|0.194826|4.561280|0.111208|3.657635|0.095766|4.055212|2.871192|3.227971|4.306758|5.485770|4.795685|3.665928|0.101023|2.886697|3.669488|2.990401|0.075316|5.148874|4.397288|9.853119|3.960638|3.365169|3.182275|3.455133|4.125605|4.521179|8.958938|3.903919|5.181712|4.490185|0.082416|0.087405|0.087287|0.214969|0.500000|
|2.162155|3.986534|2.613152|2.536745|2.836711|3.564304|5.705757|0.107178|5.860899|0.156824|9.313597|0.229249|25.969175|9.323417|5.740253|5.102936|3.821483|3.090543|6.725405|0.164514|6.944199|7.373651|4.436941|0.100322|5.524386|4.510409|6.634118|3.153832|2.676375|2.268470|2.182872|2.417731|2.931081|5.819229|3.100763|8.184798|12.874665|0.053589|0.063188|0.060971|0.061923|0.073330|0.500000|
|2.788143|5.021231|3.324522|3.022682|3.223236|4.076462|5.769151|0.101672|5.628446|0.132255|6.824017|0.140725|12.158291|17.528592|8.804095|6.657141|4.980222|4.180876|6.756361|0.235322|5.737391|5.705519|3.531227|0.083393|4.938038|4.518441|7.329718|2.905455|2.545478|2.173435|2.072624|2.253244|2.673121|5.143315|2.593976|5.888798|11.907434|0.067346|0.085120|0.077767|0.072374|0.079386|0.209908|0.500000|
|2.488252|4.403312|2.853446|2.598979|2.760041|3.436550|4.975623|0.089008|4.960674|0.132340|5.653641|0.128701|12.582860|17.617045|8.857297|5.621532|4.132452|3.542278|4.716721|0.139581|4.381389|4.782674|3.034845|0.072763|4.077261|3.469125|5.629649|2.480298|2.180419|1.903223|1.845339|2.016102|2.353392|4.613847|2.434803|5.382493|8.913569|0.060798|0.074140|0.071609|0.063098|0.068950|0.231610|0.303404|0.500000|
|3.715044|6.422063|4.328589|3.563784|3.599106|4.589007|5.852095|0.098086|5.478319|0.136847|4.838840|0.107301|7.661341|8.754819|17.596541|8.897921|6.785709|6.211493|4.274165|0.137285|3.499961|3.914375|2.659325|0.064651|3.867745|3.457471|6.148258|2.446933|2.155137|1.912239|1.881027|2.066460|2.379749|4.693022|2.396306|4.632096|6.480544|0.085677|0.112799|0.109923|0.083235|0.084514|0.126807|0.218312|0.205387|0.500000|
|3.024728|5.414428|3.647516|3.229211|3.432752|4.497132|6.298742|0.105656|6.530269|0.189082|5.438256|0.124509|9.359988|8.856353|17.536403|9.053141|5.957139|4.844330|4.148629|0.120614|3.455540|3.965392|2.741772|0.065970|3.897370|3.360486|5.763381|2.467894|2.132701|1.899667|1.896434|2.120799|2.458073|5.019343|2.649572|5.011472|6.200641|0.071913|0.086970|0.090815|0.076086|0.082786|0.147434|0.174281|0.221807|0.301592|0.500000|
|7.291657|12.406650|8.985001|5.548630|4.796928|5.483676|5.826160|0.097970|4.425054|0.108753|3.605105|0.084611|4.833470|4.272143|5.975011|6.568997|8.721088|17.784813|3.460316|0.110197|2.791647|3.266876|2.335161|0.058127|3.567695|3.194883|6.238462|2.383166|2.132168|1.938966|1.935090|2.119030|2.373402|4.615560|2.299306|4.014946|4.904118|0.143534|0.218457|0.218846|0.123938|0.104923|0.084285|0.119347|0.103600|0.204463|0.141872|0.500000|
|1.827742|3.589941|2.257223|2.491323|2.836617|2.904864|4.294907|0.096866|2.908420|0.072409|3.266842|0.093714|3.678936|2.451817|2.283387|2.569600|2.565170|2.280029|4.077295|0.102190|4.157076|6.481355|5.994514|0.197807|9.810358|5.490222|9.086008|8.961742|17.721947|8.906515|5.653091|4.961742|5.656382|7.517343|3.492358|7.924182|5.988740|0.047433|0.052428|0.048309|0.065796|0.083577|0.074701|0.072122|0.061049|0.059458|0.058005|0.058045|0.500000|
|1.644975|3.251140|1.998355|2.253205|2.526257|2.452399|3.532319|0.080412|2.326420|0.059731|2.450525|0.070661|2.844094|1.926122|1.858787|2.090355|2.141824|1.956595|2.795806|0.072249|2.747413|4.107973|3.643136|0.113940|5.670530|3.521568|6.342263|5.642832|8.926000|17.738457|8.904124|5.641796|4.947344|6.489457|3.175245|5.683666|4.193769|0.043410|0.046348|0.043471|0.061629|0.077235|0.057209|0.055481|0.048782|0.048939|0.048243|0.049777|0.214671|0.500000|
|1.654222|3.316047|2.044073|2.372683|2.712006|2.558841|3.703076|0.086771|2.352974|0.061710|2.362952|0.068992|2.731413|1.838035|1.824112|2.086822|2.167244|1.972099|2.537009|0.065251|2.394191|3.493593|3.122712|0.091607|4.916461|3.152173|5.806010|4.954583|5.656616|8.914506|17.729821|8.941826|5.654209|7.495384|3.786483|5.325732|3.668674|0.043737|0.045698|0.044074|0.065696|0.086675|0.054105|0.051724|0.046571|0.047734|0.048109|0.049614|0.124148|0.214367|0.500000|
|1.849386|3.762484|2.388835|2.845566|3.454602|3.290506|4.985369|0.125076|3.004521|0.079911|2.893212|0.086314|3.243275|2.132052|2.156814|2.548679|2.646231|2.323238|2.943414|0.073941|2.653580|3.801606|3.484461|0.095444|5.674104|3.687328|6.763676|5.649557|4.962533|5.641780|8.905274|17.733505|8.944139|12.917877|6.486045|6.374690|3.989899|0.048201|0.050512|0.049904|0.076872|0.115239|0.062987|0.058636|0.053377|0.055314|0.057409|0.057394|0.107701|0.124013|0.215274|0.500000|
|1.774433|3.494559|2.263243|2.518912|3.060648|3.369565|5.802140|0.146604|3.920163|0.110404|4.108024|0.141181|4.485850|2.695062|2.601841|3.008569|2.838596|2.359144|3.782425|0.087726|3.550756|5.331754|5.241351|0.132317|7.256770|4.334492|6.781474|5.694810|4.282611|3.879483|4.278488|5.668607|7.242484|16.442382|17.646331|12.713044|5.128469|0.045459|0.049224|0.048997|0.064558|0.091637|0.089170|0.071501|0.067537|0.063823|0.070540|0.059523|0.101384|0.089559|0.101306|0.151642|0.500000|
|1.809626|3.619436|2.332593|2.679501|3.288812|3.419346|5.636702|0.144991|3.529215|0.099601|3.378915|0.107191|3.774480|2.376748|2.395030|2.819842|2.787797|2.361247|3.146860|0.076536|2.847419|4.091953|3.765873|0.098200|5.675986|3.677588|6.267707|4.835901|3.858458|3.804366|4.643993|6.746066|7.065173|16.365536|17.614952|7.843505|4.257569|0.046648|0.049427|0.049915|0.069864|0.103201|0.073284|0.063260|0.059716|0.059747|0.065335|0.058859|0.089592|0.088053|0.114319|0.220511|0.298421|0.500000|
|1.971836|3.923309|2.587013|2.907989|3.638331|4.109003|7.434980|0.193823|4.791021|0.143240|4.431977|0.147514|4.819493|2.910150|2.949313|3.537294|3.349277|2.712107|3.749898|0.089136|3.283631|4.577365|4.098788|0.100079|6.069629|4.142852|6.818899|4.531893|3.475678|3.203178|3.585659|4.781359|5.864648|16.801613|17.628760|9.080899|4.873453|0.050088|0.053995|0.055081|0.073290|0.108609|0.091523|0.075175|0.072244|0.071300|0.081517|0.067473|0.084064|0.075508|0.087705|0.138980|0.299470|0.300545|0.500000|
|1.677180|3.203481|2.052717|2.165253|2.507739|2.860797|4.736699|0.105719|3.702909|0.100568|4.776628|0.171496|5.527845|3.161132|2.749911|2.952399|2.632582|2.211359|4.725030|0.104105|5.580489|10.348489|9.889981|0.233568|8.282679|4.693758|6.537443|4.941238|4.070361|3.335757|3.158565|3.507945|4.408050|8.075453|4.691410|35.638183|7.684493|0.042868|0.047791|0.046213|0.055104|0.070748|0.122634|0.085660|0.080564|0.067260|0.073052|0.057627|0.110037|0.081520|0.075700|0.087412|0.165587|0.107060|0.121070|0.500000|
|1.899122|3.492747|2.211159|2.181200|2.378962|2.753896|4.133907|0.082185|3.506166|0.088301|4.819957|0.127571|6.823003|4.545736|3.397485|3.266496|2.833551|2.474021|5.953505|0.155382|10.196501|11.317736|5.121576|0.125123|5.844356|4.471927|6.478266|3.284204|3.011114|2.472717|2.239618|2.343013|2.785662|4.987372|2.578332|7.682055|35.499777|0.048119|0.056488|0.051857|0.054955|0.063192|0.166571|0.143167|0.118681|0.086706|0.084262|0.067435|0.090883|0.064025|0.055315|0.059042|0.076129|0.062890|0.070749|0.120352|0.500000|
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