Version2.1
2021-01-16T12:17:35Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
01-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CSC[C@@H](C(=O)[O-])NC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)N3[C@H](Nc4ccccc4C3=O)O C64163990
RHF
6-31G(d)
(6D,7F)
CSC[C@@H](C(=O)[O-])NC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)N3[C@H](Nc4ccccc4C3=O)O
C01[X(C23H24N4O5S1)]
165
C1
547
CSC[C@@H](C(=O)[O-])NC(=O)[C@H](N1[C@@H](O)Nc2c(C1=O)cccc2)CC1=c2ccccc2=[NH+]C1
CSC[C@@H](C(=O)[O-])NC(=O)[C@H](N1[C@@H](O)Nc2c(C1=O)cccc2)CC1=c2ccccc2=[NH+]C1
CSC[C@H](NC(=O)[C@@H](CC1=C2C=CC=CC2=[NH+]C1)N3[C@@H](O)Nc4ccccc4C3=O)C([O-])=O
InChIKey=NHFXFPCTNHRPRM-YYDVJCTNSA-N
InChI=1S/C23H24N4O5S/c1-33-12-18(22(30)31)25-20(28)19(10-13-11-24-16-8-4-2-6-14(13)16)27-21(29)15-7-3-5-9-17(15)26-23(27)32/h2-9,18-19,23,26,32H,10-12H2,1H3,(H,25,28)(H,30,31)/t18-,19+,23-/m0/s1
InChI=1/C23H24N4O5S/c1-33-12-18(22(30)31)25-20(28)19(10-13-11-24-16-8-4-2-6-14(13)16)27-21(29)15-7-3-5-9-17(15)26-23(27)32/h2-9,18-19,23,26,32H,10-12H2,1H3,(H,25,28)(H,30,31)/t18-,19+,23-/m0/s1/f/h24-25H
CSC[C@@H](C(=O)[O-])NC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)N3[C@H](Nc4ccccc4C3=O)O
C01[X(C23H24N4O5S1)]
165
C01
547
CSC[C@@H](C(=O)[O-])NC(=O)[C@H](N1[C@@H](O)Nc2c(C1=O)cccc2)CC1=c2ccccc2=[NH+]C1
CSC[C@@H]([C]([O])=O)[NH][C](=O)[C@H](N1[C@@H](O)N[C]2[C]([CH][CH][CH][CH]2)C1=O)C[C]1[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1
CSC[C@H](NC(=O)[C@@H](C[C]1CN[C]2C=CC=C[C]12)N3[C@@H](O)N[C]4[CH][CH][CH][CH][C]4C3=O)C([O])=O
InChIKey=UBRPERNNBDSWSB-YYDVJCTNSA-N
InChI=1S/C23H24N4O5S/c1-33-12-18(22(30)31)25-20(28)19(10-13-11-24-16-8-4-2-6-14(13)16)27-21(29)15-7-3-5-9-17(15)26-23(27)32/h2-9,18-19,23-24,26,32H,10-12H2,1H3,(H,25,28)/t18-,19+,23-/m0/s1
InChI=1/C23H24N4O5S/c1-33-12-18(22(30)31)25-20(28)19(10-13-11-24-16-8-4-2-6-14(13)16)27-21(29)15-7-3-5-9-17(15)26-23(27)32/h2-9,18-19,23-24,26,32H,10-12H2,1H3,(H,25,28)/t18-,19+,23-/m0/s1/f/h25H
3643.6937969493
-1874.5437913
1-A
17048.8978
123
424
547
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7.24007
-25.3570 -0.2046 2.8970
25.5228
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-165.5079 -171.5149 -212.2710 -15.9521 -15.1991 6.5016
|XX|YY|ZZ|XY|XZ|YZ|
17.5900 11.5831 -29.1731 -15.9521 -15.1991 6.5016
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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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17.2758 19.6192 21.6870 33.3147 39.7146 54.4051 61.7131 77.0043 82.3779 90.9699 106.3354 110.7787 132.1523 136.3813 150.2114 155.9304 174.7804 181.1389 189.2932 201.7018 211.1748 224.0731 246.4946 257.9354 272.1002 297.6512 305.3831 343.2366 368.7817 377.4831 403.0267 410.5699 442.3026 474.7551 478.3178 482.6544 497.7863 514.8543 522.5610 541.8014 552.6414 567.8020 582.8571 588.7335 593.0276 616.5588 629.0733 644.5070 691.2448 699.5343 717.3825 741.0906 753.5338 763.0496 782.1777 795.3721 800.6955 825.8698 834.3621 837.3534 852.0792 860.3204 873.0527 879.6162 895.1945 903.0066 943.8963 948.1255 952.5018 960.2603 976.9124 993.2150 1018.1837 1028.0033 1063.0708 1066.8354 1071.3619 1078.6210 1098.2960 1101.3352 1111.9219 1118.5060 1123.0344 1124.9691 1131.9401 1135.2480 1139.9628 1150.6201 1176.7190 1213.7842 1225.1072 1228.7432 1235.5475 1248.1352 1259.2619 1283.8034 1290.4388 1311.3672 1319.6495 1321.8648 1340.2764 1344.1568 1346.4657 1364.3709 1386.9977 1393.8907 1401.5266 1411.1347 1425.4928 1444.4865 1469.6578 1477.1862 1503.3020 1505.0693 1518.9326 1521.9371 1527.6608 1529.9217 1533.4997 1548.7604 1561.7115 1578.8629 1597.2333 1602.2751 1617.4663 1619.2414 1626.9051 1635.3186 1636.0375 1646.6741 1671.0766 1709.2651 1711.1805 1726.5017 1760.2640 1781.1503 1813.3011 1843.7732 1895.3809 1926.9478 1961.7193 3215.3949 3225.9946 3238.3449 3255.0694 3268.1230 3290.8399 3296.5954 3298.8238 3302.9894 3320.1165 3331.7661 3356.8128 3364.4217 3381.9658 3382.2008 3393.3125 3399.2514 3404.9631 3411.6299 3417.2393 3564.4682 3832.8726 3889.5496 4085.4315
5.4991 7.0914 5.9586 6.6891 5.8144 4.2379 5.2043 6.5411 6.4716 8.2945 6.0063 5.3289 4.7161 3.6630 5.2825 7.5913 4.3542 6.3199 3.5393 1.3886 3.0420 4.7486 4.2132 8.7673 5.5216 3.5905 6.4206 5.1086 4.3979 5.1480 1.3593 3.1866 3.7072 3.6126 3.3203 3.9921 1.6444 3.2393 3.0639 3.5854 3.4671 2.3852 5.2107 4.5919 5.5030 5.2869 5.9623 3.4032 3.1053 2.4832 3.6833 5.2499 2.8916 5.3909 3.7577 4.9989 6.2923 2.6188 2.4807 2.9918 1.6227 2.4137 2.3185 3.2257 3.6241 6.0318 2.7365 1.5382 1.8976 4.6020 1.5785 3.3500 2.8558 2.6776 4.0459 2.4779 1.4431 2.0173 1.5165 1.3843 3.6541 1.3839 3.1394 1.3460 2.7225 2.3150 2.3470 1.3819 3.9226 2.4348 2.8362 2.5756 1.8739 2.7045 1.6331 1.3136 2.3111 1.4759 1.4430 1.3949 1.7690 1.6939 1.4231 1.2934 1.7763 2.1352 1.5411 2.0647 1.8332 1.3750 1.5614 2.3093 2.6350 1.8429 1.4352 2.1307 1.8859 1.2859 1.6188 1.4427 1.9067 1.5899 1.3170 1.5008 1.9907 1.0523 1.0973 1.9693 1.0606 1.9117 2.0405 1.6360 1.8040 5.6769 4.0915 5.2590 5.6016 5.9157 11.2297 10.4726 8.9809 1.0314 1.0678 1.0614 1.0864 1.0642 1.1070 1.0861 1.1034 1.1048 1.0989 1.0998 1.0897 1.0883 1.0900 1.0924 1.0966 1.0907 1.0966 1.0950 1.0994 1.0801 1.0757 1.0814 1.0658
0.0010 0.0016 0.0017 0.0044 0.0054 0.0074 0.0117 0.0229 0.0259 0.0404 0.0400 0.0385 0.0485 0.0401 0.0702 0.1087 0.0784 0.1222 0.0747 0.0333 0.0799 0.1405 0.1508 0.3437 0.2409 0.1874 0.3528 0.3546 0.3524 0.4322 0.1301 0.3165 0.4273 0.4797 0.4476 0.5479 0.2401 0.5059 0.4929 0.6201 0.6239 0.4531 1.0430 0.9377 1.1402 1.1841 1.3902 0.8329 0.8742 0.7159 1.1168 1.6988 0.9674 1.8493 1.3545 1.8632 2.3768 1.0524 1.0175 1.2359 0.6941 1.0526 1.0412 1.4705 1.7111 2.8979 1.4364 0.8147 1.0144 2.5002 0.8876 1.9471 1.7443 1.6672 2.6939 1.6616 0.9759 1.3828 1.0778 0.9893 2.6618 1.0201 2.3328 1.0036 2.0553 1.7579 1.7970 1.0779 3.2001 2.1135 2.5080 2.2911 1.6854 2.4823 1.5258 1.2756 2.2675 1.4954 1.4806 1.4360 1.8723 1.8031 1.5201 1.4185 2.0133 2.4442 1.7836 2.4224 2.1948 1.6904 1.9870 2.9690 3.5086 2.4595 1.9510 2.9078 2.5932 1.7734 2.2430 2.0388 2.7398 2.3350 1.9796 2.2701 3.0685 1.6255 1.7112 3.1030 1.6726 3.0541 3.3572 2.8161 3.1122 9.9700 7.4694 9.8301 10.8517 11.8487 23.7690 22.9111 20.3632 6.2826 6.5476 6.5581 6.7823 6.6971 7.0634 6.9541 7.0748 7.1017 7.1369 7.1927 7.2346 7.2578 7.3452 7.3624 7.4394 7.4257 7.4910 7.5090 7.5639 8.0851 9.3107 9.6391 10.4813
0.4723 2.6720 1.0234 3.7070 3.5576 1.8014 1.6692 5.7604 1.4812 1.5573 2.2871 2.1987 10.3037 2.6049 5.4430 5.5396 7.1276 10.9488 13.6679 4.3280 15.5334 14.3381 13.9283 2.4654 0.6614 3.3598 14.9003 17.2639 6.7084 17.5953 103.1028 3.5083 17.3325 0.0604 22.4835 4.4061 56.4559 42.3594 13.9541 14.4992 22.0416 51.9822 25.9691 18.0057 11.1417 7.7210 7.0436 1.6826 12.6182 26.2951 27.7782 19.8336 70.6293 22.8118 18.4736 21.7560 13.7824 42.5803 24.4506 2.5671 108.6904 6.6534 176.0721 58.8590 15.9994 25.5786 46.2782 9.9877 6.1419 8.7433 6.3505 16.5464 5.3392 35.2202 38.1338 7.7332 2.7289 20.2670 3.6956 2.5569 28.7172 1.4425 10.2217 0.7229 7.9592 3.9044 13.9163 1.7634 98.1933 34.1382 119.4956 20.2700 33.1258 69.7443 37.5473 106.6937 42.8139 20.5607 29.6828 7.2913 5.8720 38.2847 31.3917 12.0798 80.4342 57.0629 53.4772 149.1724 21.2470 10.8609 31.0326 278.1001 254.1750 92.6510 54.8420 261.4046 5.7565 29.8115 48.5402 151.8738 164.9744 0.3609 8.3103 5.1324 1.1396 5.6604 45.9660 219.8748 5.8168 224.8088 42.8050 340.1284 397.0763 19.4900 140.3248 6.8070 213.5896 546.9689 390.3758 563.9407 359.1432 57.4277 30.1244 73.7860 11.9597 28.9773 25.3039 4.2332 10.5343 18.8748 7.5490 34.0165 35.1978 5.5926 5.0194 20.3368 16.9010 1.6035 4.6346 8.7885 3.5080 668.2366 82.2610 162.5668 89.5105
4.8091 1.4157 1.7482 2.6910 0.5261 2.4233 6.3443 0.7219 0.9626 1.5302 2.6175 2.4216 1.7855 1.3310 2.1545 1.4500 0.7626 3.6513 0.8243 0.2538 0.6948 1.5984 1.3699 1.1473 1.8286 1.0078 0.2723 3.4477 3.1346 1.1906 2.3984 1.9489 2.8548 0.4202 0.8602 1.1079 0.9318 1.2629 0.2572 3.8498 4.5147 2.5435 6.1448 1.4853 8.4257 4.3391 0.4919 5.0760 1.7490 5.2250 5.8996 6.2555 4.8461 24.6862 1.7424 7.9320 22.4866 4.0074 3.5633 4.7898 5.4022 2.4556 5.2397 7.7744 1.0958 9.8998 10.2041 1.5873 1.6513 3.6988 1.3146 6.6594 6.0776 5.5944 6.5767 10.2949 4.9781 12.2592 8.7114 0.6282 17.9268 2.7641 6.6430 0.1553 7.3901 7.6413 7.9114 2.7840 25.6397 2.0533 21.0003 10.7814 16.2887 7.1050 6.5185 21.0539 18.4022 0.8033 9.6880 11.9255 1.1544 11.1714 21.1908 3.4600 58.8513 26.6687 4.5696 152.8434 33.9029 14.3944 3.8789 22.5568 0.6636 15.4607 3.4198 104.2982 93.2357 19.0338 17.1590 60.3542 8.3710 81.7607 18.5501 31.5804 1.2635 22.8764 4.9431 68.2861 25.3239 6.9059 4.6840 8.8789 5.8431 83.7368 6.3364 17.8445 57.2191 48.1702 44.1440 3.0202 8.5094 118.6496 66.4190 212.0940 20.2825 96.0904 80.1372 21.4290 74.4297 103.1826 53.9341 72.1505 61.8470 71.6992 79.8819 131.4393 169.1242 101.4005 154.9601 102.7963 179.2747 155.2495 26.0381 93.1005 79.0134
0.7443 0.7489 0.7500 0.7395 0.6818 0.7347 0.7449 0.7481 0.7475 0.7209 0.7271 0.7289 0.6912 0.7331 0.4139 0.6525 0.4321 0.7498 0.3448 0.7399 0.5986 0.2310 0.5802 0.2797 0.4312 0.7207 0.6219 0.7334 0.3069 0.7373 0.3376 0.3579 0.4474 0.7047 0.4076 0.4471 0.4986 0.3357 0.6618 0.6884 0.2224 0.1730 0.4850 0.7120 0.2888 0.6336 0.6724 0.2785 0.4151 0.5631 0.5436 0.0912 0.4730 0.1513 0.4106 0.1079 0.4224 0.7052 0.7393 0.5900 0.4157 0.2800 0.0486 0.4545 0.4721 0.5683 0.2635 0.7249 0.6494 0.7225 0.4689 0.5811 0.7488 0.1048 0.7283 0.2463 0.4968 0.2870 0.2635 0.6799 0.2453 0.4267 0.2005 0.5476 0.5090 0.4848 0.1108 0.7488 0.3693 0.5154 0.4421 0.4079 0.7496 0.6036 0.3525 0.1235 0.7191 0.7482 0.3751 0.5629 0.4486 0.2742 0.3682 0.7115 0.1753 0.1489 0.3154 0.2680 0.2221 0.4221 0.4281 0.3370 0.5859 0.3551 0.7483 0.2218 0.1630 0.3585 0.4593 0.4319 0.3492 0.2311 0.6239 0.4890 0.1976 0.7478 0.7417 0.2808 0.6903 0.7452 0.4567 0.1555 0.7489 0.6233 0.3909 0.5812 0.6011 0.4219 0.2231 0.5776 0.6780 0.0062 0.1305 0.2179 0.4923 0.0639 0.7149 0.4769 0.6863 0.7106 0.3803 0.4166 0.2113 0.7151 0.6353 0.5346 0.1402 0.7451 0.1920 0.1508 0.1288 0.2379 0.0859 0.3062 0.2832
0.8534 0.8564 0.8571 0.8502 0.8108 0.8471 0.8538 0.8559 0.8555 0.8378 0.8420 0.8432 0.8174 0.8460 0.5855 0.7897 0.6034 0.8570 0.5128 0.8505 0.7489 0.3752 0.7344 0.4371 0.6026 0.8377 0.7669 0.8462 0.4697 0.8488 0.5048 0.5271 0.6182 0.8268 0.5791 0.6179 0.6654 0.5027 0.7965 0.8154 0.3638 0.2949 0.6532 0.8318 0.4481 0.7757 0.8041 0.4356 0.5867 0.7205 0.7043 0.1671 0.6422 0.2628 0.5822 0.1948 0.5939 0.8271 0.8501 0.7422 0.5873 0.4376 0.0926 0.6250 0.6414 0.7247 0.4171 0.8405 0.7874 0.8389 0.6384 0.7350 0.8564 0.1898 0.8428 0.3952 0.6638 0.4460 0.4170 0.8095 0.3940 0.5982 0.3340 0.7076 0.6746 0.6530 0.1996 0.8564 0.5394 0.6802 0.6131 0.5795 0.8569 0.7528 0.5212 0.2198 0.8366 0.8560 0.5456 0.7203 0.6193 0.4304 0.5383 0.8314 0.2983 0.2592 0.4796 0.4227 0.3634 0.5936 0.5996 0.5041 0.7389 0.5241 0.8560 0.3631 0.2804 0.5278 0.6294 0.6032 0.5177 0.3755 0.7684 0.6568 0.3299 0.8557 0.8517 0.4384 0.8167 0.8540 0.6271 0.2692 0.8564 0.7680 0.5621 0.7351 0.7508 0.5934 0.3648 0.7322 0.8081 0.0123 0.2309 0.3578 0.6598 0.1200 0.8338 0.6458 0.8140 0.8308 0.5510 0.5882 0.3488 0.8339 0.7770 0.6967 0.2459 0.8540 0.3221 0.2620 0.2282 0.3843 0.1582 0.4689 0.4414
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 16 6 6 1 6 8 8 7 6 8 6 1 6 6 6 6 6 6 6 6 7 1 6 7 6 1 7 6 6 6 6 6 6 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 31.97207 12.00000 12.00000 1.00783 12.00000 15.99491 15.99491 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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
13446.9874 19196.1883 29189.7099
0.99989 0.01460 -0.00100 -0.01459 0.99989 0.00361 0.00105 -0.00360 0.99999
1
0.00644 0.00451 0.00297
0.13421 0.09402 0.06183
24.86 28.23 31.20 47.93 57.14 78.28 88.79 110.79 118.52 130.89 152.99 159.39 190.14 196.22 216.12 224.35 251.47 260.62 272.35 290.20 303.83 322.39 354.65 371.11 391.49 428.25 439.38 493.84 530.59 543.11 579.87 590.72 636.37 683.07 688.19 694.43 716.20 740.76 751.85 779.53 795.13 816.94 838.60 847.06 853.23 887.09 905.10 927.30 994.55 1006.47 1032.15 1066.26 1084.17 1097.86 1125.38 1144.36 1152.02 1188.24 1200.46 1204.76 1225.95 1237.81 1256.13 1265.57 1287.99 1299.23 1358.06 1364.14 1370.44 1381.60 1405.56 1429.01 1464.94 1479.07 1529.52 1534.94 1541.45 1551.90 1580.20 1584.58 1599.81 1609.28 1615.80 1618.58 1628.61 1633.37 1640.15 1655.49 1693.04 1746.36 1762.66 1767.89 1777.68 1795.79 1811.80 1847.11 1856.65 1886.76 1898.68 1901.87 1928.36 1933.94 1937.26 1963.03 1995.58 2005.50 2016.48 2030.31 2050.97 2078.29 2114.51 2125.34 2162.92 2165.46 2185.41 2189.73 2197.96 2201.22 2206.36 2228.32 2246.95 2271.63 2298.06 2305.32 2327.17 2329.73 2340.75 2352.86 2353.89 2369.20 2404.31 2459.25 2462.01 2484.05 2532.63 2562.68 2608.94 2652.78 2727.03 2772.45 2822.48 4626.24 4641.49 4659.26 4683.32 4702.10 4734.78 4743.07 4746.27 4752.27 4776.91 4793.67 4829.70 4840.65 4865.89 4866.23 4882.22 4890.76 4898.98 4908.57 4916.65 5128.47 5514.65 5596.19 5878.02
0.488180
0.516284
0.517228
0.425984
-1874.055611
-1874.027507
-1874.026563
-1874.117808
3.060372D-04
MUNgauss
RevisionA2.0
retrievium
16-Jan-2021
DUDE CSC[C@@H](C(=O)[O-])NC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)N3[C@H](Nc4ccccc4C3=O)O C64163990
RHF
6-31G(d)
(6D,10F)
C1
468.146742
|X|Y|Z|
80.580234 97.248560 33.136614
63.797933
21
|36.858105|
|10.530338|388.023441|
|6.900781|74.372071|36.858105|
|4.558984|48.478604|12.480489|36.858105|
|4.266827|45.756830|8.883135|17.626928|0.500000|
|3.623462|32.378846|7.565704|12.157808|0.243937|36.858105|
|3.116176|27.086971|5.596259|7.989711|0.170871|15.208680|73.516695|
|3.510225|29.425097|6.544342|8.083082|0.200786|15.703664|15.178839|73.516695|
|3.981937|41.927599|7.666207|13.071369|0.254970|7.779264|13.205321|9.543852|53.358707|
|3.447146|35.738947|5.371173|7.718376|0.207171|5.425601|9.499291|7.443252|19.374703|36.858105|
|3.436944|36.276432|4.905971|6.517144|0.205968|4.592085|7.594941|6.774752|11.428982|15.871491|73.516695|
|2.786922|26.196287|3.917703|5.069755|0.132964|4.298067|8.362741|6.076328|10.748963|12.330324|14.207232|36.858105|
|2.811846|25.726002|3.912297|4.823563|0.119402|4.221780|8.557959|5.926310|10.317315|8.843917|10.614240|17.594965|0.500000|
|2.549622|23.407136|3.223427|3.845593|0.105660|3.258130|6.081302|4.874701|7.112336|7.616125|12.316876|12.382832|0.247823|36.858105|
|2.167418|18.900829|2.636280|3.044783|0.082759|2.729995|5.215232|4.170169|5.313059|4.923946|8.017101|7.463521|0.191082|12.791791|36.858105|
|2.040618|17.296065|2.363179|2.622585|0.070788|2.364442|4.482520|3.670480|4.435905|3.869214|6.431067|5.161426|0.145416|7.433588|13.923133|36.858105|
|2.118615|17.725313|2.342783|2.512991|0.067542|2.229421|4.154525|3.489071|4.190004|3.556559|6.019477|4.331369|0.125336|5.872130|7.422516|13.253643|36.858105|
|1.898333|15.401881|2.041202|2.151672|0.057846|1.944842|3.621055|3.087680|3.478058|2.851399|4.863672|3.347613|0.097589|4.168250|5.121696|7.954542|14.160879|36.858105|
|1.684965|13.532124|1.832485|1.946567|0.052464|1.799308|3.380364|2.874682|3.105312|2.522003|4.288912|2.993187|0.086854|3.603883|4.637045|6.891290|7.881687|13.228279|36.858105|
|1.637503|13.256736|1.829180|1.978488|0.053463|1.851519|3.515350|2.950110|3.167544|2.593605|4.379640|3.174576|0.091221|3.810483|5.278504|7.679960|6.633969|7.728154|14.050531|36.858105|
|1.780532|14.742445|2.050679|2.268039|0.061373|2.109509|4.033971|3.318341|3.717091|3.132378|5.231551|4.055391|0.114766|5.115260|8.397404|13.281692|7.675688|6.819390|8.064477|13.438043|36.858105|
|1.729721|14.386643|2.044202|2.307015|0.062782|2.184376|4.222529|3.433873|3.764129|3.186464|5.295707|4.224178|0.116139|5.080244|8.265337|8.465520|5.305796|4.656067|5.252642|7.711504|14.486824|53.358707|
|1.596691|13.114546|1.877726|2.109271|0.057492|2.030792|3.933503|3.224108|3.372552|2.795352|4.669307|3.579052|0.098820|4.073077|5.827022|5.933332|4.243461|3.950946|4.636424|6.804248|9.270881|26.052293|0.500000|
|1.914155|16.341355|2.348337|2.735746|0.074832|2.567278|4.990845|3.969259|4.587169|4.058732|6.642828|5.861090|0.150859|7.218205|12.745652|8.212883|5.088672|4.100647|4.147696|5.190652|8.357603|17.883192|0.244060|36.858105|
|2.437808|22.021609|3.460548|4.586367|0.123156|4.362619|8.953782|6.231432|8.427285|7.788300|10.628679|12.999246|0.258630|7.437283|6.082320|4.311402|3.511143|2.863238|2.690534|2.950707|3.750397|5.752778|0.103396|6.075481|53.358707|
|2.335391|20.348577|3.358951|4.363002|0.111360|4.633746|10.663781|6.552018|7.566996|5.698030|7.865892|7.618789|0.212661|5.032693|4.628081|3.630897|3.048941|2.583043|2.475193|2.713740|3.324530|5.087287|0.095254|4.862935|17.865578|36.858105|
|2.552114|22.250499|3.775702|4.861859|0.116964|5.182823|12.722962|7.042469|8.853507|5.986885|7.864546|7.576912|0.249447|4.849184|4.367663|3.561691|3.095148|2.623560|2.475044|2.656460|3.194799|4.684442|0.087160|4.280581|12.554031|17.719495|0.500000|
|2.244467|19.217928|3.278068|4.301810|0.112150|5.084722|12.042821|7.398074|6.608327|4.709773|6.937769|5.265011|0.140911|3.846140|3.524310|2.885593|2.498426|2.171072|2.097299|2.280174|2.703578|4.117757|0.079502|3.747566|10.712659|13.440860|0.262926|53.358707|
|2.067441|17.643846|2.912697|3.769456|0.104704|4.280361|8.925882|6.645293|5.536791|4.204140|6.655959|4.572267|0.115010|3.609350|3.328207|2.715168|2.337851|2.043159|1.990200|2.178440|2.580093|3.999182|0.078204|3.655084|9.300134|7.972766|0.162944|18.616533|36.858105|
|1.894479|15.741817|2.598670|3.237008|0.090886|3.791310|7.609168|6.283442|4.486913|3.310766|5.432101|3.441991|0.088885|2.864814|2.686203|2.272451|1.997472|1.779947|1.746497|1.899286|2.193870|3.361912|0.066998|2.934829|6.204121|5.190663|0.119585|10.720820|13.657935|36.858105|
|1.738872|14.335954|2.298128|2.793915|0.080541|3.133855|5.975102|5.347728|3.834459|2.903640|4.952700|2.992426|0.076317|2.613870|2.474291|2.113322|1.863145|1.672726|1.650617|1.796980|2.060275|3.164660|0.063674|2.725585|5.184369|3.992130|0.094021|7.063059|7.950353|13.842817|36.858105|
|1.713924|14.268834|2.224178|2.700064|0.079279|2.882487|5.390287|4.862064|3.776706|2.978570|5.216364|3.105577|0.077206|2.804247|2.661999|2.249003|1.962310|1.753926|1.733675|1.899292|2.196562|3.412412|0.068597|2.975878|5.379015|3.834885|0.089214|6.201708|6.831103|7.891020|13.646447|36.858105|
|1.839597|15.645382|2.413260|2.989012|0.088080|3.084514|5.805976|5.033381|4.339957|3.575833|6.268094|3.849590|0.092292|3.479536|3.269428|2.666310|2.275918|1.999026|1.965850|2.171416|2.574797|4.066275|0.080406|3.715268|7.017497|4.616514|0.103254|7.028463|7.885990|6.856798|7.972599|13.865339|36.858105|
|2.034444|17.611291|2.783001|3.576894|0.102905|3.728215|7.318511|5.816975|5.410562|4.482024|7.406281|5.045983|0.118696|4.186216|3.838616|3.024208|2.545694|2.197429|2.140104|2.366072|2.861692|4.529993|0.087676|4.333409|10.715820|6.952556|0.141943|10.747838|13.697882|7.917987|6.899355|7.924993|13.635318|36.858105|
|2.210259|19.685051|3.021519|3.921665|0.112314|3.777554|7.339801|5.695492|6.447262|5.969293|9.677167|7.610360|0.159156|6.178085|5.328968|3.859670|3.141538|2.615507|2.502114|2.773636|3.493657|5.539587|0.102146|5.850257|18.867184|7.856528|0.160761|9.105269|7.648417|5.065574|4.501286|5.089305|7.680505|12.877151|36.858105|
|2.135243|19.001354|2.785168|3.485988|0.102408|3.226386|6.017725|4.994813|5.631628|5.432101|9.773647|6.634895|0.138133|6.715304|5.782589|4.125511|3.326606|2.747669|2.620266|2.908258|3.699012|5.852487|0.106363|6.257445|11.466143|5.394892|0.122577|6.394164|5.305635|4.014788|3.838142|4.567230|6.790886|8.094285|15.769615|73.516695|
|2.030983|17.162712|2.726938|3.320640|0.086264|3.479891|7.607684|5.194837|5.527990|4.257595|6.274485|5.811034|0.170082|4.543800|4.754796|3.829881|3.111092|2.686962|2.662848|3.016560|3.727540|5.989331|0.115112|5.582158|11.381093|13.533065|0.259533|11.156862|6.283272|4.555549|3.682842|3.595512|4.263841|5.875651|6.386846|8.614955|73.516695|
|17.588938|55.950018|6.470867|4.355551|0.116114|3.617148|5.415248|6.526290|4.932185|3.141166|5.611197|2.555736|0.070966|2.326643|1.994762|1.869478|1.918210|1.729366|1.553416|1.520302|1.651035|2.203053|0.041775|1.790526|3.125117|2.218919|0.066741|2.964239|2.024611|1.881686|1.734359|1.699593|1.803980|1.978335|2.111404|3.615169|3.430539|0.500000|
|17.592308|57.055072|5.112453|3.775854|0.101259|3.052866|4.781148|5.259281|4.699089|3.130868|5.677633|2.584932|0.072109|2.438424|2.089430|1.992370|2.097567|1.893122|1.671739|1.610821|1.737912|2.280086|0.042953|1.837471|3.066575|2.136207|0.064140|2.776877|1.899987|1.744754|1.618117|1.608948|1.728811|1.892504|2.065154|3.599423|3.352342|0.300724|0.500000|
|17.579534|55.884757|6.461177|4.312020|0.107283|3.572866|5.610007|6.078920|5.295146|3.294963|5.640802|2.741556|0.078755|2.486549|2.144545|2.035956|2.121582|1.912805|1.700003|1.647947|1.783206|2.350122|0.044342|1.897710|3.267944|2.344906|0.072253|3.051251|2.034639|1.864012|1.697951|1.661930|1.779908|1.981173|2.147060|3.654286|3.647784|0.299681|0.300673|0.500000|
|6.630199|56.335427|17.639020|8.979520|0.215070|7.133770|9.004258|13.136013|7.654716|4.311284|7.303050|3.297982|0.090550|2.778276|2.324077|2.097021|2.073532|1.831722|1.662463|1.663564|1.849816|2.524743|0.047784|2.112257|4.135721|2.989985|0.091280|4.115701|2.745721|2.521317|2.251369|2.160151|2.298796|2.599951|2.738759|4.506235|4.382794|0.200306|0.136215|0.167396|0.500000|
|6.516497|56.417391|17.556243|8.859333|0.174103|6.915143|10.130000|10.396790|9.517049|4.828794|7.491509|3.785226|0.110201|3.100454|2.596537|2.359707|2.354215|2.065779|1.856022|1.846195|2.056486|2.774657|0.052109|2.315908|4.545930|3.361965|0.108498|4.406812|2.799786|2.500591|2.190667|2.101844|2.271082|2.634741|2.852338|4.635159|4.912299|0.163670|0.134834|0.196224|0.301282|0.500000|
|3.556739|34.000153|6.416278|9.483579|0.187865|8.039922|16.831155|9.479698|25.997652|9.544897|10.899330|7.724795|0.236099|4.900620|3.888447|3.262553|3.039057|2.546904|2.303788|2.370177|2.781773|3.867294|0.071116|3.447070|8.955023|6.720224|0.248982|7.704595|4.367194|3.491651|2.898133|2.795264|3.185847|4.066719|4.724869|7.046132|8.342571|0.090895|0.085971|0.100022|0.138380|0.183097|0.500000|
|2.774048|25.723843|3.362721|3.838498|0.104439|3.145800|5.743286|4.738797|7.067856|7.226537|12.155762|8.976209|0.217221|17.607242|9.026930|7.107566|6.705381|4.559215|3.699387|3.701697|4.700025|5.900510|0.098495|5.426654|7.542401|4.184919|0.118179|4.523348|3.085600|2.526490|2.315426|2.451797|2.945470|3.446231|4.670644|8.854266|6.727441|0.068993|0.074522|0.075098|0.079443|0.090227|0.131517|0.500000|
|2.461748|22.646276|3.081179|3.702048|0.106478|3.133329|5.702142|4.780360|6.443028|7.006877|13.360287|8.878393|0.175091|17.642094|9.048085|5.945175|4.871850|3.660801|3.239813|3.439986|4.486535|6.278025|0.105866|6.472489|9.162922|4.499837|0.116139|4.979442|3.621443|2.901750|2.713473|2.993889|3.794104|4.408228|6.639184|15.003713|7.187861|0.063133|0.065803|0.065602|0.075127|0.080337|0.119524|0.303234|0.500000|
|2.368313|20.100524|2.580592|2.735775|0.073456|2.364235|4.343749|3.687379|4.600598|3.933919|6.728603|4.577641|0.131797|6.238257|6.575278|8.729626|17.749937|9.022177|5.597803|4.829116|5.514359|5.850562|0.098318|4.438134|4.810414|3.034757|0.086973|3.405811|2.330703|1.991390|1.852346|1.944060|2.250627|2.526024|3.128922|5.877697|5.302183|0.058791|0.065506|0.065617|0.062740|0.071769|0.090703|0.227609|0.142732|0.500000|
|1.896575|15.148242|1.978028|2.046609|0.054998|1.843807|3.401469|2.948425|3.259440|2.628379|4.524303|2.971383|0.086718|3.585577|4.097396|5.628458|9.032795|17.754807|8.781255|5.591589|4.928996|5.020772|0.089929|3.355304|3.461554|2.320174|0.066098|2.698036|1.865537|1.642265|1.546824|1.613956|1.820352|1.987935|2.331343|4.333649|4.229988|0.047825|0.053054|0.053219|0.049462|0.055769|0.065936|0.111499|0.089126|0.215618|0.500000|
|1.570266|12.418028|1.679891|1.765754|0.047624|1.643171|3.075598|2.647756|2.772145|2.217579|3.791996|2.567885|0.074491|3.000072|3.675596|4.962311|5.659983|8.814872|17.717829|9.091101|5.697477|5.710820|0.108387|3.395204|3.186406|2.188256|0.060978|2.568640|1.796601|1.596963|1.516275|1.586141|1.776714|1.915156|2.195608|4.066604|4.175928|0.040347|0.043458|0.044113|0.042639|0.047381|0.057164|0.085823|0.076293|0.124135|0.215588|0.500000|
|1.505797|12.069182|1.679218|1.813718|0.049112|1.720357|3.271847|2.762068|2.860872|2.313829|3.918190|2.790017|0.079840|3.231725|4.285701|5.508580|4.829204|5.531250|8.946954|17.749316|8.752238|9.231064|0.192330|4.537603|3.642064|2.511112|0.067800|2.923632|2.069123|1.826434|1.739566|1.836752|2.077424|2.235278|2.556707|4.736413|5.036850|0.039095|0.041118|0.042129|0.042776|0.047107|0.059738|0.086205|0.082866|0.105454|0.123235|0.216846|0.500000|
|1.854976|15.867628|2.272015|2.664700|0.074550|2.502151|4.787718|3.913955|4.356934|3.909881|6.678530|5.291162|0.128298|6.512342|8.936233|6.221107|4.299655|3.556391|3.589039|4.363752|6.284227|12.263590|0.202936|17.579846|7.870323|4.475686|0.106802|4.963038|3.760283|3.038989|2.901361|3.286029|4.235818|4.733635|6.448616|13.885109|8.728190|0.048557|0.049579|0.050593|0.057340|0.061343|0.089097|0.136370|0.187545|0.107920|0.083065|0.083890|0.109800|0.500000|
|1.936354|16.503450|2.442915|2.889406|0.077909|2.784055|5.569982|4.258809|4.877585|4.191383|6.579136|6.254688|0.167090|6.395923|8.893258|6.239182|4.308350|3.569387|3.609135|4.396379|6.330984|12.330166|0.206517|17.552096|10.015420|6.260205|0.145657|6.179645|4.298247|3.343604|3.015736|3.225216|4.031429|4.973971|6.605009|10.983255|14.380647|0.050516|0.051100|0.053658|0.061030|0.067454|0.105253|0.135436|0.155385|0.107919|0.083309|0.084335|0.110652|0.300809|0.500000|
|2.439973|20.910274|3.748955|5.057969|0.127658|6.676371|17.879999|9.317506|7.365844|4.827416|7.042150|4.927824|0.134404|3.576048|3.190310|2.665271|2.369041|2.065736|1.974079|2.110731|2.464983|3.657875|0.070386|3.256117|8.818504|9.440181|0.247468|25.574104|9.307027|6.887165|4.680607|4.030520|4.384746|6.094858|5.445553|7.250990|10.794824|0.066202|0.060727|0.067865|0.096564|0.103120|0.180187|0.088611|0.094423|0.066899|0.052983|0.049633|0.055099|0.087795|0.105651|0.500000|
|1.879328|15.365828|2.581339|3.158457|0.086852|3.861798|7.898672|6.534269|4.288693|3.050916|4.957417|3.129399|0.083180|2.597990|2.446137|2.107249|1.876807|1.685804|1.654039|1.786214|2.037607|3.081460|0.061595|2.633819|5.404927|4.737889|0.115325|9.840187|8.923174|17.733101|8.902816|5.614636|4.944842|5.645025|4.125170|5.961694|7.461464|0.052135|0.047840|0.051757|0.070303|0.069907|0.094288|0.064799|0.071963|0.052094|0.043469|0.042255|0.047841|0.074289|0.083213|0.194499|0.500000|
|1.630179|13.220102|2.113835|2.510729|0.072216|2.833443|5.331270|4.964814|3.386048|2.526909|4.340598|2.571978|0.066580|2.279392|2.172115|1.889872|1.686484|1.529615|1.513570|1.638839|1.852695|2.817092|0.057061|2.371575|4.286392|3.324222|0.080968|5.716260|5.655701|8.982710|17.712024|8.892031|5.665700|4.965310|3.590088|5.629173|5.549547|0.045468|0.042225|0.044276|0.058244|0.056183|0.070998|0.056979|0.065476|0.046604|0.039537|0.038905|0.044316|0.069624|0.072074|0.109611|0.215273|0.500000|
|1.594974|13.134243|2.015492|2.394271|0.070668|2.522532|4.639351|4.323839|3.318562|2.617361|4.667343|2.703365|0.067677|2.513442|2.408228|2.069956|1.822452|1.644238|1.631940|1.782753|2.037009|3.143541|0.063686|2.679663|4.487045|3.168056|0.075714|4.933894|4.931250|5.629635|8.868161|17.730228|8.939739|5.633845|4.135501|7.007857|5.387297|0.044076|0.041872|0.042857|0.054762|0.052878|0.067643|0.061847|0.075077|0.050097|0.042213|0.041727|0.048178|0.082734|0.078903|0.091459|0.123701|0.214332|0.500000|
|1.792650|15.262879|2.290556|2.790877|0.083037|2.782991|5.145839|4.556224|4.085359|3.461216|6.270894|3.740563|0.088583|3.581915|3.392988|2.764764|2.349452|2.061437|2.029926|2.248424|2.675088|4.238305|0.083607|3.874332|6.461082|4.028275|0.092480|5.711463|5.641271|4.947057|5.648202|8.919163|17.753104|8.944053|7.172612|13.609143|6.779111|0.048649|0.047229|0.047953|0.060433|0.059667|0.081840|0.083925|0.112488|0.064336|0.052009|0.050861|0.059699|0.128727|0.111695|0.101544|0.107447|0.124123|0.213923|0.500000|
|1.931332|16.019234|2.577308|3.090047|0.079955|3.358812|7.447955|5.100684|4.941248|3.658245|5.489147|4.613403|0.136225|3.715189|3.862096|3.262523|2.733107|2.417767|2.418355|2.718071|3.239798|5.118506|0.101612|4.459191|8.399390|9.924897|0.220383|11.082708|6.120163|4.738140|3.747143|3.515442|3.966436|5.235084|5.138825|7.163640|35.655350|0.051357|0.049710|0.054484|0.065624|0.073170|0.117226|0.089052|0.093763|0.072981|0.060223|0.060196|0.072158|0.112143|0.165801|0.170048|0.126231|0.089547|0.082540|0.096914|0.500000|
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