Version2.4
2021-05-28T15:38:15Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
02-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1cc(ccc1C[C@]2([C@H]3[C@@H]([C@@H](N2)c4nccs4)C(=O)N(C3=O)CCCCO)C(=O)[O-])[N+](=O)[O-] C33928412
RHF
6-31G(d)
(6D,7F)
c1cc(ccc1C[C@]2([C@H]3[C@@H]([C@@H](N2)c4nccs4)C(=O)N(C3=O)CCCCO)C(=O)[O-])[N+](=O)[O-]
C01[X(C21H21N4O7S1)]
156
C1
541
OCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@](N[C@H]2c1nccs1)(Cc1ccc(cc1)[N+](=O)[O-])C(=O)[O-]
OCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@](N[C@H]2c1nccs1)(Cc1ccc(cc1)[N+](=O)[O-])C(=O)[O-]
OCCCCN1C(=O)[C@@H]2[C@@H](N[C@@](Cc3ccc(cc3)[N+]([O-])=O)([C@@H]2C1=O)C([O-])=O)c4sccn4
InChIKey=MEXVCIMSNCMTHC-CMBDLQSPSA-M
InChI=1S/C21H22N4O7S/c26-9-2-1-8-24-18(27)14-15(19(24)28)21(20(29)30,23-16(14)17-22-7-10-33-17)11-12-3-5-13(6-4-12)25(31)32/h3-7,10,14-16,23,26H,1-2,8-9,11H2,(H,29,30)/p-1/t14-,15-,16+,21-/m0/s1
InChI=1/C21H22N4O7S/c26-9-2-1-8-24-18(27)14-15(19(24)28)21(20(29)30,23-16(14)17-22-7-10-33-17)11-12-3-5-13(6-4-12)25(31)32/h3-7,10,14-16,23,26H,1-2,8-9,11H2,(H,29,30)/p-1/t14-,15-,16+,21-/m0/s1/fC21H21N4O7S/q-1
c1cc(ccc1C[C@]2([C@H]3[C@@H]([C@@H](N2)c4nccs4)C(=O)N(C3=O)CCCCO)C(=O)[O-])[N+](=O)[O-]
C01[X(C21H21N4O7S1)]
156
C01
541
OCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@](N[C@H]2c1nccs1)(Cc1ccc(cc1)[N+](=O)[O-])C(=O)[O-]
OCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@](N[C@H]2[C]1SC=[CH][N]=1)(C[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O])[C]([O])[O]
[O][C]([O])[C@@]1(C[C]2[CH][CH][C]([CH][CH]2)N([O])[O])N[C@H]([C@@H]3[C@H]1C(=O)N(CCCCO)C3=O)c4sccn4
InChIKey=WOSYCFXLZYHBQN-CMBDLQSPSA-N
InChI=1S/C21H21N4O7S/c26-9-2-1-8-24-18(27)14-15(19(24)28)21(20(29)30,23-16(14)17-22-7-10-33-17)11-12-3-5-13(6-4-12)25(31)32/h3-7,10,14-16,23,26H,1-2,8-9,11H2/t14-,15-,16+,21-/m0/s1
InChI=1/C21H21N4O7S/c26-9-2-1-8-24-18(27)14-15(19(24)28)21(20(29)30,23-16(14)17-22-7-10-33-17)11-12-3-5-13(6-4-12)25(31)32/h3-7,10,14-16,23,26H,1-2,8-9,11H2/t14-,15-,16+,21-/m0/s1
3657.5524227736
-1946.7675432
1-A
18086.8774
124
417
541
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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10.20174
0.3506 7.0880 -1.5249
7.2587
|XX|YY|ZZ|XY|XZ|YZ|
-299.3577 -239.2749 -195.6123 -0.2140 23.6494 0.9118
|XX|YY|ZZ|XY|XZ|YZ|
-54.6094 5.4734 49.1360 -0.2140 23.6494 0.9118
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
293.7871 68.0920 55.0839 -20.7311 37.4637 -122.4279 73.4965 2.9763 69.8553 -31.5053
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-22142.9774 -5204.6887 -2227.4740 -30.3182 864.3716 -31.8338 70.2862 357.4720 -127.6984 -3728.5920 -3099.0326 -1226.4833 -34.1990 149.6972 -139.0894
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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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
16.6474 17.4283 21.9105 31.2396 41.9315 49.9029 54.4512 60.7418 66.1000 68.2557 83.8666 101.7527 108.5215 113.5834 133.0812 153.7237 155.0876 173.1225 179.9829 187.4123 220.7877 227.3721 268.9026 286.3699 294.7023 295.7533 315.4719 324.6273 330.8798 353.6076 395.9744 406.5848 422.6180 434.9781 443.8760 463.9988 488.4730 532.3915 534.3793 558.7565 577.6497 585.0409 636.0711 656.6223 665.5848 688.8961 692.0792 703.6656 708.2422 722.8471 754.7542 780.9317 794.4520 798.9300 820.2005 826.2659 835.4892 853.8688 867.1171 872.4256 876.3028 890.5893 898.6142 934.5482 947.8535 959.7334 960.9616 967.0448 981.4516 998.0481 1007.3175 1030.4463 1035.0505 1069.8255 1080.1666 1102.6015 1115.1649 1121.3093 1133.1916 1150.8325 1153.4893 1157.8919 1169.0694 1182.6334 1184.6754 1197.8570 1208.9043 1228.2308 1237.3631 1250.9779 1278.4989 1287.2737 1307.6345 1311.1918 1317.6135 1323.3463 1337.5587 1343.6391 1374.3740 1387.7294 1393.6085 1408.4711 1428.4959 1429.6270 1444.5543 1445.0936 1459.8425 1463.1160 1483.4820 1485.3126 1500.2262 1502.1788 1510.0869 1520.6467 1538.3693 1574.3049 1581.2974 1585.5291 1603.8642 1614.5063 1627.7871 1634.9301 1636.0275 1640.1271 1652.7893 1658.6176 1670.8767 1681.7495 1754.7842 1758.6286 1795.8861 1849.0768 1915.8883 1963.0780 2042.2465 3152.6349 3180.0120 3193.7323 3196.2019 3207.1869 3222.7629 3237.9630 3255.2042 3258.9108 3281.7829 3290.5864 3297.6375 3314.8854 3367.2481 3407.4180 3418.4526 3432.4047 3433.2785 3450.0480 3797.6266 4114.4327
6.7109 7.4452 7.8237 6.7787 8.0319 8.5723 7.6476 2.0839 6.0373 6.2881 8.4934 5.2522 3.1488 8.9493 6.7545 8.3656 2.2629 9.0461 8.1024 9.8540 7.4715 7.0398 6.4280 5.7427 1.3795 2.9996 6.6939 4.8467 3.2561 6.3749 5.4221 4.5808 2.5709 6.8663 6.5302 3.0315 5.6763 4.4477 3.8417 4.2181 7.0056 4.9641 3.3767 4.4671 7.4929 6.4981 6.3768 6.4922 6.4817 4.7180 5.5924 3.3583 1.7015 1.9350 2.3433 2.0066 3.4334 2.4603 3.2212 3.1198 3.7468 4.9828 4.3079 2.7736 2.1079 3.9787 2.1137 5.7256 2.6204 1.9151 1.8474 1.4209 1.8635 3.3096 1.9926 1.3572 3.0784 2.9104 3.1456 2.8741 2.7170 1.3813 2.4325 1.7403 3.7864 3.4168 1.6452 3.5366 3.0857 3.0690 1.7864 2.0477 1.7342 2.8017 2.0752 1.5870 3.8701 1.2401 1.8382 1.4894 1.3675 1.4653 1.3391 1.7541 1.3815 1.1129 1.3200 1.2554 1.8398 1.6874 1.5346 1.4860 1.3832 1.8860 4.8611 2.6721 2.1402 2.4586 1.4702 1.4680 3.6719 1.2035 1.3188 1.1014 1.1207 5.9085 2.2951 1.0922 6.9246 7.1585 5.3161 11.6151 12.1363 12.4080 11.9173 1.0824 1.0603 1.0617 1.0726 1.1006 1.0764 1.0992 1.0864 1.0616 1.0868 1.0983 1.0922 1.1073 1.0911 1.0911 1.0931 1.0940 1.0948 1.1008 1.0757 1.0668
0.0011 0.0013 0.0022 0.0039 0.0083 0.0126 0.0134 0.0045 0.0155 0.0173 0.0352 0.0320 0.0218 0.0680 0.0705 0.1165 0.0321 0.1597 0.1546 0.2039 0.2146 0.2144 0.2739 0.2775 0.0706 0.1546 0.3925 0.3009 0.2100 0.4696 0.5009 0.4462 0.2705 0.7654 0.7581 0.3845 0.7980 0.7428 0.6464 0.7759 1.3773 1.0011 0.8049 1.1348 1.9557 1.8170 1.7995 1.8940 1.9156 1.4524 1.8770 1.2067 0.6327 0.7277 0.9288 0.8071 1.4121 1.0569 1.4270 1.3991 1.6952 2.3285 2.0496 1.4272 1.1158 2.1592 1.1500 3.1548 1.4872 1.1239 1.1044 0.8889 1.1763 2.2318 1.3698 0.9722 2.2555 2.1561 2.3799 2.2427 2.1299 1.0911 1.9588 1.4341 3.1310 2.8885 1.4166 3.1434 2.7835 2.8297 1.7204 1.9992 1.7471 2.8380 2.1227 1.6375 4.0794 1.3191 2.0458 1.6899 1.5648 1.7127 1.6100 2.1122 1.6985 1.3693 1.6574 1.5834 2.3855 2.1933 2.0350 1.9756 1.8584 2.5695 6.7780 3.9019 3.1530 3.6415 2.2282 2.2545 5.7324 1.8954 2.0798 1.7457 1.8037 9.5769 3.7752 1.8200 12.5629 13.0443 10.1018 23.3982 26.2469 28.1726 29.2850 6.3384 6.3174 6.3801 6.4561 6.6701 6.5868 6.7898 6.7828 6.6427 6.8962 7.0068 6.9980 7.1687 7.2890 7.4638 7.5261 7.5942 7.6036 7.7199 9.1407 10.6402
0.7013 0.6703 0.8137 0.1225 0.4118 7.5522 5.1935 3.1202 3.3295 1.4357 0.1567 3.1711 2.8364 0.5300 8.5554 2.9988 1.8554 4.4770 2.8838 17.5093 0.2303 0.3884 4.9045 10.5958 100.8193 36.1469 2.6786 0.7996 5.6086 5.7045 5.5434 21.6435 2.1482 2.2494 42.3619 0.4891 3.9048 6.0178 11.5429 6.9300 3.3695 9.6766 35.6116 5.6774 4.4178 4.7555 4.5969 11.0444 24.0777 25.9208 16.8879 22.3438 20.4343 23.6394 38.6903 13.3830 11.4658 44.7529 42.9113 7.4956 10.2929 44.9145 19.9676 64.8462 3.9923 2.0026 9.1573 30.7935 12.0363 28.4845 3.6787 2.6299 10.2642 0.5463 5.4844 0.4181 1.6733 1.4375 30.2928 43.6018 17.7710 9.1509 21.0446 7.5982 83.2255 7.7126 3.2798 10.0968 54.6524 83.0039 32.8433 13.7271 7.2405 21.6839 43.5947 14.8683 21.2683 54.4009 15.2438 63.3122 5.7166 8.9665 22.7308 39.3672 12.3546 6.3582 6.1714 17.7109 2.4200 7.2998 49.7484 38.4730 10.6330 123.2143 144.5186 302.1031 1.1228 210.9266 84.1915 8.0344 485.3213 59.8026 41.0658 5.9192 7.8871 10.0157 10.1716 4.2112 39.1269 101.3329 63.3430 382.6254 832.6569 770.7349 106.8606 43.0725 50.9552 40.8069 44.6077 15.9559 16.5933 99.7074 11.1742 48.2540 26.8949 1.5312 4.0905 22.4417 17.9327 25.4294 29.9824 0.5503 6.3562 11.2515 6.8548 31.4449
1.9199 1.0745 2.7566 4.7784 1.6054 1.0337 1.3256 0.2763 0.5192 2.4904 0.5855 0.5604 0.1017 0.7748 0.2759 0.7592 0.2076 0.4812 0.4107 0.2808 3.1619 2.2811 1.9447 2.3104 3.2559 3.3353 1.0599 2.1402 0.4842 3.1982 1.0410 0.1801 1.0513 0.6254 2.2651 0.0278 0.5029 0.2333 0.8438 2.0944 0.9091 2.8007 1.0786 1.6349 1.5040 10.4378 3.7792 2.1573 6.3688 2.5432 6.8227 2.3848 0.5665 0.6825 2.2753 3.9883 1.9742 5.8559 1.2482 1.2973 10.8910 1.0318 10.4078 2.5942 2.6395 3.8741 3.3308 17.7963 3.1971 0.5228 1.9023 2.2158 1.3117 1.9519 2.6660 1.7637 5.0990 11.3138 5.0948 10.6181 7.3580 2.0503 0.8867 10.4489 12.9262 7.0495 1.1519 21.1184 89.5962 15.0302 7.5361 0.5942 2.7175 11.2030 3.0266 3.5982 4.3241 3.6973 1.9639 0.9034 5.2961 5.5174 1.4317 9.2835 5.6927 21.3537 1.6301 4.5655 5.7991 20.7386 12.6090 5.4518 1.5865 7.4401 2.3673 0.6936 2.6149 1.5653 10.1660 3.1215 297.1898 39.6400 25.0009 7.6814 9.0684 86.5237 22.3397 6.2989 5.2949 1.8259 211.2309 0.7795 1.8676 1.8369 18.1169 55.3541 64.5802 77.8598 40.8528 95.5853 53.6366 15.2188 54.3753 74.9432 103.5134 50.4359 66.8656 19.8202 48.7625 137.3578 38.6596 60.8918 91.6245 166.3797 71.2146 143.5397
0.7471 0.7293 0.7328 0.7500 0.7497 0.7472 0.6682 0.7481 0.7412 0.7494 0.7439 0.5579 0.5816 0.6180 0.6940 0.0873 0.7283 0.7500 0.7458 0.7479 0.6477 0.7463 0.6404 0.3010 0.6313 0.3261 0.5666 0.5736 0.7408 0.3708 0.7203 0.7175 0.7445 0.7336 0.4365 0.7177 0.6588 0.7205 0.5424 0.7361 0.6131 0.4654 0.6387 0.1547 0.5629 0.3347 0.2916 0.1981 0.1679 0.2464 0.1994 0.5361 0.7075 0.5410 0.4597 0.6724 0.4903 0.1126 0.6901 0.1930 0.5372 0.7458 0.0983 0.3754 0.2971 0.6766 0.3977 0.0894 0.6834 0.2826 0.5285 0.6447 0.3339 0.4615 0.6470 0.7428 0.5542 0.4938 0.7042 0.1929 0.3127 0.5798 0.5098 0.3858 0.4889 0.5318 0.4002 0.5974 0.2380 0.3637 0.5450 0.6246 0.4615 0.1269 0.5490 0.5242 0.6410 0.5468 0.6345 0.6335 0.6705 0.7123 0.7360 0.3059 0.6395 0.7496 0.5313 0.7345 0.7500 0.3711 0.7349 0.6547 0.5975 0.7239 0.3369 0.6250 0.6049 0.2804 0.5141 0.5900 0.2991 0.5369 0.0376 0.7383 0.7470 0.2260 0.3549 0.7380 0.6120 0.6802 0.4511 0.2830 0.3827 0.6977 0.3845 0.3159 0.1342 0.1204 0.0850 0.7497 0.1359 0.3748 0.4407 0.1067 0.1629 0.6756 0.3296 0.5211 0.3277 0.4475 0.5463 0.2834 0.1519 0.2258 0.2853 0.3140
0.8553 0.8435 0.8458 0.8571 0.8570 0.8553 0.8011 0.8559 0.8514 0.8567 0.8532 0.7162 0.7354 0.7639 0.8193 0.1605 0.8428 0.8571 0.8544 0.8557 0.7862 0.8547 0.7808 0.4627 0.7740 0.4918 0.7233 0.7291 0.8511 0.5410 0.8374 0.8355 0.8535 0.8464 0.6078 0.8356 0.7943 0.8375 0.7033 0.8480 0.7602 0.6352 0.7796 0.2680 0.7203 0.5015 0.4516 0.3307 0.2875 0.3954 0.3324 0.6980 0.8287 0.7022 0.6299 0.8041 0.6580 0.2024 0.8166 0.3236 0.6990 0.8544 0.1790 0.5459 0.4581 0.8071 0.5691 0.1641 0.8119 0.4406 0.6915 0.7840 0.5006 0.6316 0.7857 0.8524 0.7132 0.6612 0.8264 0.3234 0.4764 0.7340 0.6753 0.5568 0.6568 0.6943 0.5716 0.7479 0.3845 0.5334 0.7055 0.7689 0.6315 0.2253 0.7088 0.6878 0.7812 0.7070 0.7764 0.7757 0.8027 0.8320 0.8479 0.4685 0.7801 0.8569 0.6939 0.8470 0.8571 0.5414 0.8472 0.7913 0.7481 0.8398 0.5040 0.7692 0.7538 0.4380 0.6791 0.7422 0.4604 0.6987 0.0725 0.8494 0.8551 0.3687 0.5239 0.8493 0.7593 0.8097 0.6217 0.4411 0.5536 0.8220 0.5554 0.4801 0.2367 0.2150 0.1567 0.8569 0.2394 0.5453 0.6118 0.1928 0.2801 0.8064 0.4958 0.6852 0.4936 0.6183 0.7066 0.4417 0.2638 0.3683 0.4439 0.4779
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
6 6 6 6 6 6 6 6 6 1 6 1 6 1 7 6 7 6 6 16 6 8 7 6 8 6 6 6 6 8 6 8 8 7 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 14.00307 12.00000 12.00000 31.97207 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 15.99491 14.00307 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
10130.6305 26231.6652 30012.3212
0.99989 -0.00833 0.01190 0.00846 0.99990 -0.01113 -0.01180 0.01123 0.99987
1
0.00855 0.00330 0.00289
0.17815 0.06880 0.06013
23.95 25.08 31.52 44.95 60.33 71.80 78.34 87.39 95.10 98.20 120.67 146.40 156.14 163.42 191.47 221.17 223.14 249.08 258.96 269.64 317.66 327.14 386.89 412.02 424.01 425.52 453.89 467.07 476.06 508.76 569.72 584.98 608.05 625.84 638.64 667.59 702.80 765.99 768.85 803.93 831.11 841.74 915.16 944.73 957.63 991.17 995.75 1012.42 1019.00 1040.02 1085.92 1123.59 1143.04 1149.48 1180.09 1188.81 1202.08 1228.53 1247.59 1255.23 1260.80 1281.36 1292.91 1344.61 1363.75 1380.84 1382.61 1391.36 1412.09 1435.97 1449.31 1482.58 1489.21 1539.24 1554.12 1586.40 1604.47 1613.31 1630.41 1655.79 1659.61 1665.95 1682.03 1701.55 1704.48 1723.45 1739.34 1767.15 1780.29 1799.88 1839.47 1852.10 1881.39 1886.51 1895.75 1904.00 1924.45 1933.20 1977.42 1996.63 2005.09 2026.48 2055.29 2056.91 2078.39 2079.17 2100.39 2105.10 2134.40 2137.03 2158.49 2161.30 2172.68 2187.87 2213.37 2265.07 2275.13 2281.22 2307.60 2322.91 2342.02 2352.30 2353.88 2359.78 2378.00 2386.38 2404.02 2419.66 2524.74 2530.27 2583.88 2660.41 2756.54 2824.43 2938.34 4535.94 4575.33 4595.07 4598.62 4614.43 4636.84 4658.71 4683.51 4688.85 4721.75 4734.42 4744.56 4769.38 4844.72 4902.51 4918.39 4938.46 4939.72 4963.85 5463.94 5919.75
0.447721
0.475726
0.476671
0.384032
-1946.319822
-1946.291817
-1946.290873
-1946.383511
3.107094D-04
MUNgauss
RevisionA2.1
retrievium
28-May-2021
DUDE c1cc(ccc1C[C@]2([C@H]3[C@@H]([C@@H](N2)c4nccs4)C(=O)N(C3=O)CCCCO)C(=O)[O-])[N+](=O)[O-] C33928412
RHF
6-31G(d)
(6D,10F)
C1
473.113096
|X|Y|Z|
62.024720 111.202175 43.288008
66.836736
20
|36.858105|
|13.792765|36.858105|
|7.975351|13.746639|36.858105|
|6.841534|7.890871|13.787433|36.858105|
|7.946504|6.891948|8.020961|13.780792|36.858105|
|13.629499|7.888271|6.866511|7.853595|13.657566|36.858105|
|7.462359|4.988074|4.439007|5.008677|7.568484|12.551495|36.858105|
|5.719805|4.138114|3.663553|3.963686|5.298672|7.281763|12.236190|36.858105|
|3.970311|3.129272|2.896269|3.182798|4.086456|4.891720|7.549346|12.143014|36.858105|
|3.824073|3.031539|2.836210|3.153679|4.082755|4.800800|7.674903|8.682274|17.618336|0.500000|
|3.417036|2.838606|2.734345|3.071449|3.848837|4.195212|5.524729|7.686553|12.364827|0.239628|36.858105|
|3.029605|2.574816|2.532273|2.882872|3.569562|3.722617|4.762747|5.693099|8.600711|0.218016|17.573274|0.500000|
|3.983249|3.330760|3.279421|3.791995|4.854949|5.073081|6.054674|8.009186|7.832287|0.170734|12.401363|0.243102|36.858105|
|4.065480|3.438145|3.509994|4.285964|5.735344|5.494719|6.378343|6.846929|6.671466|0.166715|8.947856|0.226213|17.465684|0.500000|
|5.128390|4.035986|3.744571|4.130081|5.335576|6.367210|7.567254|13.012199|8.085398|0.166416|8.278629|0.163195|13.240471|0.248068|53.358707|
|3.292812|2.926803|2.954765|3.360023|3.948913|3.902255|4.186327|5.108668|5.008870|0.116648|7.344125|0.174360|12.642239|0.254599|10.595726|36.858105|
|2.826953|2.585069|2.681310|3.089326|3.525705|3.328509|3.504639|3.958488|4.053429|0.100429|5.728659|0.157080|7.786499|0.206274|7.149305|14.901014|53.358707|
|2.484141|2.332481|2.423549|2.715622|2.960958|2.806362|2.870969|3.221099|3.235059|0.080775|4.230752|0.114797|5.244624|0.136555|5.642000|8.709270|18.854879|36.858105|
|2.522260|2.379296|2.431525|2.646646|2.846358|2.768688|2.798476|3.224519|3.135549|0.076745|3.947561|0.101813|4.882074|0.120088|5.766721|7.885599|11.273082|14.212529|36.858105|
|3.089528|2.821559|2.792008|3.005013|3.335559|3.395093|3.479086|4.306444|3.982698|0.092696|5.009181|0.118056|6.702093|0.146206|8.598611|10.982404|10.162252|7.565819|11.039535|388.023441|
|2.892818|2.464629|2.348772|2.548642|3.032525|3.316167|4.087001|5.666391|7.895170|0.162943|12.488383|0.250565|7.314286|0.152391|8.426064|6.227820|6.799803|4.084208|4.020556|36.411306|36.858105|
|2.551847|2.237074|2.162101|2.338072|2.705224|2.870697|3.349631|4.342341|5.327295|0.120573|7.823483|0.190140|6.037658|0.131301|6.830039|6.297437|7.294952|4.636196|4.611213|39.417396|15.947597|73.516695|
|2.849433|2.400687|2.236825|2.375891|2.810349|3.178075|4.004543|5.598313|8.105065|0.169463|8.128537|0.179353|5.345131|0.120268|7.187381|4.454639|5.045976|3.178154|3.199752|28.503243|13.955980|14.913401|53.358707|
|3.268515|2.661873|2.436455|2.586247|3.135038|3.695049|5.028525|7.251061|12.547793|0.251738|7.913783|0.174511|5.313220|0.125127|7.676416|4.055475|4.605368|2.856469|2.843147|25.280418|8.284796|9.850929|18.757730|36.858105|
|3.059057|2.508595|2.272839|2.373070|2.826002|3.347015|4.442817|5.692164|7.851239|0.200841|5.370692|0.130438|4.049287|0.100433|5.953723|3.244661|3.807639|2.424382|2.422042|20.912026|5.569177|7.523274|11.387435|16.025231|73.516695|
|2.433587|2.101345|1.955531|2.039873|2.341166|2.616866|3.135773|4.083291|5.085729|0.118529|5.079667|0.123556|3.896872|0.091376|5.364400|3.544397|4.176372|2.775671|2.859151|24.533620|7.674991|11.839781|17.850844|7.656163|11.813903|36.858105|
|2.463404|2.145485|1.971973|2.016659|2.275793|2.564764|2.965177|3.878714|4.279214|0.099260|4.200957|0.099941|3.582735|0.083548|5.254002|3.372352|3.909908|2.679895|2.877203|25.370201|5.788549|9.632727|10.501894|5.764394|9.350515|12.476497|36.858105|
|2.087812|1.858274|1.717651|1.742010|1.928335|2.140376|2.412372|2.975280|3.222431|0.078682|3.176279|0.079238|2.793036|0.067482|4.020593|2.701376|3.252543|2.289098|2.454919|20.524605|4.080203|7.196894|6.784520|4.103283|7.173492|7.527779|12.458557|36.858105|
|2.031033|1.833375|1.685752|1.684381|1.835388|2.035228|2.230859|2.704724|2.779205|0.068368|2.726091|0.067946|2.516308|0.061320|3.705891|2.473941|2.982403|2.137992|2.337985|19.513291|3.322545|5.911755|5.194844|3.341079|5.866281|4.907739|7.548385|12.555408|36.858105|
|1.771968|1.619872|1.500721|1.497843|1.616863|1.772181|1.924736|2.264630|2.339539|0.058910|2.304946|0.058784|2.135823|0.053039|3.088940|2.114831|2.607143|1.886469|2.042615|16.466149|2.742539|4.937089|4.202921|2.759229|4.932248|3.878539|5.083403|8.000676|13.504235|73.516695|
|5.517678|4.039358|3.368416|3.382458|4.130355|5.660125|7.306066|12.060815|7.311327|0.162567|5.171942|0.113891|5.130936|0.123256|10.411576|3.938111|4.291407|2.729335|2.838001|26.804448|4.696029|6.711175|7.077060|6.680562|10.630615|4.178351|4.315577|3.302488|3.082803|4.498820|36.858105|
|6.386927|4.501293|3.560736|3.442985|4.113300|5.856600|6.964240|7.969969|5.457371|0.137181|4.026547|0.094285|4.059116|0.103900|7.525960|3.240487|3.674612|2.374147|2.452197|22.165512|3.638762|5.410436|5.443428|5.052541|8.890544|3.401362|3.513668|2.858249|2.733118|4.097482|15.487388|73.516695|
|4.228142|3.360086|2.888580|2.893886|3.402042|4.283487|5.152309|8.084799|6.424979|0.138215|5.063078|0.110345|4.841792|0.111405|9.257607|3.966270|4.288240|2.789266|2.974079|28.704612|5.209887|7.518730|8.267323|7.021952|10.935265|5.094211|5.745102|4.111044|3.829507|5.342757|15.542033|15.199125|73.516695|
|5.126307|7.769596|13.112937|7.796524|5.143388|4.506660|3.316439|2.879156|2.378642|0.064823|2.287641|0.059650|2.688069|0.079088|4.052645|2.521598|3.192049|2.181419|2.199734|17.388851|2.017522|3.362325|2.620648|2.061438|3.452328|1.717306|1.742451|1.544277|1.530379|2.448771|2.722325|5.092969|4.297700|53.358707|
|4.666372|7.048245|8.370763|5.422389|4.097104|3.883393|2.975479|2.648323|2.198294|0.059682|2.095955|0.054454|2.415634|0.069610|3.684737|2.279054|2.873463|1.987828|2.031043|16.093946|1.883880|3.148268|2.477891|1.946153|3.294316|1.644830|1.687037|1.508259|1.509922|2.424616|2.599086|4.939172|4.145408|21.684702|73.516695|
|4.084786|5.409714|8.368997|7.077454|4.678337|3.883150|2.981897|2.608986|2.216123|0.060752|2.174703|0.057526|2.555883|0.076277|3.721337|2.442585|3.165805|2.178983|2.169365|16.671408|1.917377|3.226223|2.466752|1.921158|3.207921|1.619618|1.631019|1.452552|1.434233|2.307608|2.421072|4.445326|3.874235|21.651990|16.042050|73.516695|
|17.766273|8.902332|5.655183|4.939731|5.663983|8.952380|6.959029|5.894777|4.060795|0.107441|3.362784|0.081864|3.746697|0.102372|6.726688|3.097571|3.593573|2.340062|2.403248|21.152691|2.927356|4.551318|4.051169|3.475925|5.913556|2.567347|2.635323|2.229583|2.180125|3.361357|6.615293|15.804134|8.636133|5.650541|7.123999|6.028283|0.500000|
|8.915009|17.781878|8.931089|5.637940|4.966982|5.621111|4.064163|3.561547|2.771600|0.074392|2.518360|0.063642|2.885015|0.081190|4.721507|2.594236|3.140304|2.121423|2.189209|18.304823|2.247300|3.659394|3.017182|2.438229|4.146089|1.978542|2.047523|1.797140|1.796670|2.836991|3.675916|7.429679|5.589750|9.761090|14.074219|8.809237|0.213455|0.500000|
|4.940940|5.633201|8.931908|17.784943|8.887222|5.604027|4.087866|3.371787|2.840110|0.078682|2.822154|0.075190|3.456654|0.110018|4.869944|3.181288|4.129694|2.700811|2.592208|20.144576|2.363868|3.916879|2.972457|2.339303|3.820647|1.891163|1.860836|1.622674|1.568526|2.498313|2.887666|5.156517|4.510095|9.783970|8.826214|14.141405|0.107389|0.124283|0.500000|
|5.644529|4.961681|5.693332|8.985772|17.714839|8.897988|7.051613|5.107020|4.260899|0.121125|4.183891|0.111596|5.311304|0.192413|7.124454|4.253740|5.334143|3.185665|2.956848|24.021024|3.182552|5.051956|3.926969|3.192161|5.051802|2.375737|2.261316|1.914382|1.800123|2.828095|3.801127|6.513573|5.700503|5.685134|6.055971|7.175717|0.124388|0.107760|0.215594|0.500000|
|6.855369|4.650096|4.000469|4.278941|5.831268|8.921393|17.618785|8.914258|6.611932|0.202120|4.624556|0.114182|4.648732|0.132668|7.624369|3.437708|4.021819|2.486945|2.440048|21.128044|3.652573|5.352763|5.140420|4.925959|8.340832|3.040277|2.874861|2.374498|2.197949|3.393482|7.145579|14.038044|8.819390|4.190479|5.031666|4.894068|0.198176|0.109486|0.098831|0.149860|0.500000|
|5.617060|4.222659|4.051059|4.865382|7.500335|9.040317|17.524548|8.763132|7.461127|0.238627|5.913446|0.151703|6.340088|0.208578|8.956677|4.304321|5.084856|2.979963|2.811040|23.996534|4.114483|6.025178|5.306275|4.783542|7.431555|3.027975|2.778314|2.282624|2.087420|3.234881|5.424621|8.999517|7.543496|4.234001|4.890462|5.135478|0.141197|0.096741|0.115431|0.231893|0.302394|0.500000|
|6.037742|4.810429|4.476057|4.913543|6.261520|7.353174|7.135078|9.212347|5.844247|0.133366|5.899256|0.129490|9.246726|0.214675|25.939190|6.954108|6.728904|4.054846|4.220976|44.099200|4.731233|7.308957|5.660297|4.411642|6.481574|3.311977|3.340572|2.651653|2.513586|3.768193|6.632477|9.423362|10.263196|4.712597|5.525306|5.573120|0.152928|0.111973|0.115039|0.159930|0.146707|0.168167|0.500000|
|2.222529|2.112933|2.216363|2.482520|2.662820|2.494129|2.538570|2.771167|2.817278|0.072069|3.578469|0.100621|4.199002|0.114344|4.632791|6.002167|12.273629|17.758631|8.868141|37.979008|3.464544|6.960417|3.783634|2.521150|3.873826|2.475678|2.375358|2.074887|1.942565|3.094170|2.379964|3.746854|4.299776|2.759766|3.289961|3.646311|0.058147|0.053712|0.069772|0.080069|0.062000|0.073894|0.093025|0.500000|
|2.283012|2.187657|2.233204|2.387057|2.511450|2.450047|2.449895|2.785207|2.700195|0.066881|3.266650|0.085036|3.858710|0.096875|4.788845|5.490454|7.789031|8.775243|17.800787|54.912604|3.400196|6.927405|3.833888|2.510905|3.878599|2.601341|2.668871|2.339111|2.269573|3.566324|2.533774|3.954108|4.756490|2.804202|3.419919|3.623796|0.060836|0.056720|0.065329|0.071576|0.060359|0.067846|0.098611|0.201736|0.500000|
|2.327923|2.009646|1.863231|1.935475|2.216431|2.487702|2.998458|3.761722|4.708876|0.115869|4.388371|0.110817|3.398740|0.082430|4.714431|3.040790|3.656935|2.431707|2.475092|20.761023|5.800796|8.895408|12.672460|7.349095|13.481442|17.620976|8.817766|6.882471|4.564969|6.715569|3.929246|5.900902|8.197895|2.233585|2.804892|2.749436|0.068760|0.052810|0.049853|0.062380|0.083073|0.080604|0.082271|0.061172|0.063104|0.500000|
|2.204981|1.934610|1.827148|1.917916|2.181361|2.381773|2.799066|3.520076|4.344839|0.104411|4.711334|0.120479|3.664046|0.086963|4.808404|3.489241|4.239197|2.862734|2.925532|24.123198|7.278272|13.139648|12.612156|5.779263|8.971828|17.604950|8.796086|6.783354|4.515533|6.651053|3.468330|5.142919|7.231891|2.204429|2.751669|2.740118|0.063654|0.050612|0.049958|0.062136|0.074657|0.076663|0.083782|0.071638|0.074349|0.301106|0.500000|
|2.509917|2.204316|2.040925|2.092303|2.350088|2.619030|2.969016|3.918783|4.177767|0.095416|4.367934|0.102360|3.887739|0.088643|5.679945|3.826377|4.358507|3.034556|3.354967|30.467011|6.184365|11.101804|9.553125|5.135977|7.888766|8.916485|17.541394|8.828626|6.860396|8.343884|4.229988|6.044895|10.003532|2.457978|3.099106|3.011977|0.073636|0.058272|0.053766|0.064880|0.078039|0.077388|0.100673|0.073545|0.086377|0.174016|0.213910|0.500000|
|2.728716|2.341813|2.112258|2.136508|2.420959|2.796896|3.254554|4.343558|4.573963|0.105187|4.170143|0.097316|3.631956|0.084966|5.637106|3.301678|3.773344|2.558611|2.747177|24.760376|5.283724|8.273295|9.742574|6.248773|10.548721|8.920151|17.593087|8.783217|6.900878|8.334242|5.280036|7.514616|13.657854|2.520243|3.201769|3.049018|0.082912|0.062301|0.054130|0.065858|0.088879|0.082433|0.099814|0.062847|0.070592|0.211190|0.173978|0.304494|0.500000|
|2.016267|1.791130|1.651459|1.672663|1.853067|2.063579|2.342320|2.835721|3.109428|0.077645|2.974476|0.075316|2.584336|0.063463|3.714259|2.451580|2.981812|2.080500|2.195074|18.123915|3.692830|6.329421|6.321361|4.038048|7.474565|6.893429|8.804117|17.518527|8.961557|13.014446|3.167388|4.983536|6.817675|2.022634|2.585313|2.483936|0.060131|0.048227|0.043273|0.051123|0.065139|0.061706|0.068216|0.052847|0.057998|0.206862|0.168463|0.172957|0.208571|0.500000|
|1.926466|1.730716|1.619607|1.653672|1.822973|1.991630|2.230450|2.709717|2.973951|0.073369|3.042059|0.077476|2.674409|0.064993|3.733392|2.649013|3.249796|2.316758|2.476352|20.101408|3.957981|7.349966|6.248668|3.677603|6.308577|6.828375|8.784760|17.510012|8.949154|13.087826|2.895490|4.482766|6.200159|1.993737|2.535443|2.468025|0.056403|0.046383|0.043146|0.050706|0.060516|0.059516|0.068646|0.058813|0.066030|0.169614|0.201124|0.211186|0.172381|0.302933|0.500000|
|2.058747|1.871750|1.729293|1.727712|1.873050|2.062080|2.231267|2.716431|2.745055|0.066933|2.761628|0.068455|2.609821|0.063124|3.843360|2.631168|3.159159|2.299586|2.568180|21.536175|3.377871|6.175272|5.046664|3.196345|5.438297|4.556115|6.919449|8.867533|17.500701|16.448373|3.054401|4.769758|6.758091|2.142421|2.758501|2.626392|0.060890|0.050924|0.044783|0.050982|0.060212|0.058006|0.072988|0.057713|0.069947|0.112352|0.119849|0.206608|0.172427|0.174479|0.212829|0.500000|
|2.162507|1.942903|1.763276|1.744775|1.900614|2.135896|2.336677|2.833459|2.843057|0.069991|2.703813|0.066823|2.518084|0.061554|3.807498|2.429771|2.903904|2.062784|2.251438|19.078922|3.200096|5.518767|5.072752|3.416690|6.124025|4.569224|6.897241|8.880818|17.519567|16.433959|3.363952|5.366659|7.536689|2.172675|2.815595|2.639135|0.065437|0.053231|0.044815|0.051279|0.064596|0.059884|0.072183|0.051931|0.060420|0.121442|0.111650|0.169341|0.207088|0.214607|0.174517|0.301509|0.500000|
|1.727952|1.592255|1.473249|1.460458|1.564284|1.711656|1.836528|2.139954|2.171884|0.054900|2.135078|0.054478|2.012159|0.050232|2.929995|2.001355|2.472119|1.799915|1.959127|15.734454|2.491222|4.480098|3.754779|2.510477|4.485773|3.330183|4.285268|5.936032|9.834182|35.789711|2.404619|3.941371|5.031673|1.851304|2.406861|2.276140|0.051263|0.043863|0.038084|0.042544|0.050628|0.048067|0.056511|0.046230|0.053851|0.089941|0.088951|0.113645|0.114244|0.153074|0.152367|0.227854|0.231454|0.500000|
1944.460410
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