Version2.0
2020-02-29T03:17:39Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
27-Dec-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1ccc(cc1F)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)C(C)C)c4nc(c(s4)C(=O)OC)C)O C16805533
RHF
6-31G(d)
(6D,7F)
Cc1ccc(cc1F)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)C(C)C)c4nc(c(s4)C(=O)OC)C)O
C01[X(C27H25F1N2O5S1)]
177
C1
594
COC(=O)c1sc(nc1C)N1[C@H](c2ccc(cc2)C(C)C)C(=C(C1=O)O)C(=O)c1ccc(c(c1)F)C
COC(=O)c1sc(nc1C)N1[C@H](c2ccc(cc2)C(C)C)C(=C(C1=O)O)C(=O)c1ccc(c(c1)F)C
COC(=O)c1sc(nc1C)N2[C@H](c3ccc(cc3)C(C)C)C(=C(O)C2=O)C(=O)c4ccc(C)c(F)c4
InChIKey=RSUZBMOOQGFHSP-OAQYLSRUSA-N
InChI=1S/C27H25FN2O5S/c1-13(2)16-8-10-17(11-9-16)21-20(22(31)18-7-6-14(3)19(28)12-18)23(32)25(33)30(21)27-29-15(4)24(36-27)26(34)35-5/h6-13,21,32H,1-5H3/t21-/m1/s1
InChI=1/C27H25FN2O5S/c1-13(2)16-8-10-17(11-9-16)21-20(22(31)18-7-6-14(3)19(28)12-18)23(32)25(33)30(21)27-29-15(4)24(36-27)26(34)35-5/h6-13,21,32H,1-5H3/t21-/m1/s1
Cc1ccc(cc1F)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)C(C)C)c4nc(c(s4)C(=O)OC)C)O
C01[X(C27H25F1N2O5S1)]
177
C01
594
COC(=O)c1sc(nc1C)N1[C@H](c2ccc(cc2)C(C)C)C(=C(C1=O)O)C(=O)c1ccc(c(c1)F)C
COC(=O)c1sc(nc1C)N1[C@H](c2ccc(cc2)C(C)C)C(=C(C1=O)O)C(=O)c1ccc(c(c1)F)C
COC(=O)c1sc(nc1C)N2[C@H](c3ccc(cc3)C(C)C)C(=C(O)C2=O)C(=O)c4ccc(C)c(F)c4
InChIKey=RSUZBMOOQGFHSP-OAQYLSRUSA-N
InChI=1S/C27H25FN2O5S/c1-13(2)16-8-10-17(11-9-16)21-20(22(31)18-7-6-14(3)19(28)12-18)23(32)25(33)30(21)27-29-15(4)24(36-27)26(34)35-5/h6-13,21,32H,1-5H3/t21-/m1/s1
InChI=1/C27H25FN2O5S/c1-13(2)16-8-10-17(11-9-16)21-20(22(31)18-7-6-14(3)19(28)12-18)23(32)25(33)30(21)27-29-15(4)24(36-27)26(34)35-5/h6-13,21,32H,1-5H3/t21-/m1/s1
4038.5239627250
-2017.1871759
1-A
20098.7853
133
461
594
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10.77100
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6.1811
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-222.7280 -207.6777 -211.2285 2.9251 7.8951 1.7371
|XX|YY|ZZ|XY|XZ|YZ|
-8.8499 6.2004 2.6495 2.9251 7.8951 1.7371
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-142.6302 18.9128 -81.3925 22.2409 -24.0033 -126.1094 49.7381 -28.4718 -9.6951 37.9516
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
11.1797 14.1724 16.3618 21.5537 25.3633 32.6897 49.0281 57.3220 58.8476 61.9579 70.4299 89.7432 98.4266 101.5269 102.5324 115.2180 128.6266 135.1013 153.3527 168.4672 175.3304 188.0520 205.5987 225.9059 232.4050 242.0526 246.9828 254.9440 272.2582 274.5846 292.6561 302.3427 308.9376 325.0692 330.2572 339.9117 356.8537 373.3653 382.8261 400.8737 408.2897 452.0125 460.0138 470.3701 494.6893 499.2758 509.5805 516.4249 522.5122 547.5080 577.0274 599.3591 612.2200 616.0373 622.3390 645.4776 672.3587 698.1370 704.2519 712.7016 732.9956 764.5287 780.9960 792.0162 801.9369 825.8578 829.2820 839.2706 863.8871 876.8559 883.0494 902.0279 913.8955 929.9799 949.1035 950.4954 962.9596 964.7665 1008.7188 1013.8736 1017.9139 1043.1510 1057.8846 1086.0681 1093.6343 1098.8120 1102.5780 1104.2968 1114.8664 1130.6712 1146.4684 1160.7532 1171.9945 1176.4019 1204.9326 1221.3859 1224.5671 1238.2307 1245.5808 1257.5585 1270.3548 1280.1592 1297.8284 1299.0163 1312.8036 1313.5180 1315.0929 1332.6315 1339.4457 1344.0296 1346.9704 1396.2070 1403.5866 1419.1164 1437.3205 1449.2399 1457.5025 1463.0973 1479.4650 1484.9102 1519.5188 1532.8096 1554.6288 1563.4646 1564.4342 1572.3418 1577.3765 1588.0462 1594.5190 1615.0791 1628.4295 1631.2349 1631.9495 1634.0526 1636.4796 1637.9044 1641.5074 1647.9208 1648.4691 1652.3171 1681.4041 1685.2059 1693.1701 1774.1190 1776.3708 1776.9960 1823.3793 1825.1687 1935.6910 1982.5982 1985.7941 2012.7539 3200.9259 3203.2493 3207.7988 3216.8598 3222.0704 3245.5065 3255.4951 3260.9454 3269.0663 3272.1671 3274.7942 3274.8562 3275.5901 3296.5171 3339.2185 3352.5594 3355.1071 3365.6343 3371.8607 3372.2791 3372.9324 3384.8445 3398.9329 3412.7163 4013.5172
5.6802 5.3525 5.0936 3.7233 3.8837 5.4245 4.4993 7.7943 4.6735 6.0114 6.5785 4.3123 1.9354 1.1755 1.5154 3.8221 6.5112 4.7418 2.4286 3.2220 2.7025 2.8907 5.1731 4.3092 4.7412 2.6592 2.9517 1.5666 1.9163 2.5672 2.7405 3.7914 3.5921 4.7517 4.9656 6.6044 6.1971 4.6063 5.1227 6.4192 7.2908 3.7740 5.4995 5.8064 5.3000 4.1674 3.9332 1.1550 3.3956 6.7556 6.4349 6.4164 5.4665 3.7087 3.2731 5.8767 5.6512 6.9682 5.8151 4.8354 7.0475 6.9503 3.9846 6.1352 4.1762 4.6243 4.0211 9.2828 10.1293 4.7063 5.2642 4.8283 5.1245 4.9859 1.3789 1.3736 1.8878 2.5565 4.3856 1.1501 1.5554 1.5652 5.0355 1.4348 2.7459 2.1908 1.3691 1.3680 3.0418 2.9579 2.1905 1.7789 1.4983 1.5705 1.8083 2.3040 2.1264 4.5311 3.4981 3.4150 3.6373 4.0689 1.2708 4.5508 1.7834 2.3154 1.4579 2.5198 2.2623 1.9293 1.6222 2.6296 2.8527 1.4585 1.5181 6.5098 3.5295 2.4227 1.3339 1.7119 1.5506 2.5242 1.2609 1.3298 1.7931 1.2630 1.8929 5.4319 2.0404 1.1499 1.0441 1.2147 1.0461 1.0456 1.1254 1.0493 1.0473 1.0509 1.0559 1.0644 7.1434 2.9637 2.3493 5.6267 6.6258 8.1132 5.4471 6.3739 8.5610 11.7961 12.9632 12.9450 1.0358 1.0698 1.0515 1.0366 1.0418 1.0852 1.0291 1.1033 1.1026 1.1036 1.1015 1.1025 1.1030 1.1038 1.1091 1.0889 1.1092 1.0885 1.0954 1.0988 1.0913 1.0956 1.0928 1.0943 1.0660
0.0004 0.0006 0.0008 0.0010 0.0015 0.0034 0.0064 0.0151 0.0095 0.0136 0.0192 0.0205 0.0110 0.0071 0.0094 0.0299 0.0635 0.0510 0.0337 0.0539 0.0489 0.0602 0.1288 0.1296 0.1509 0.0918 0.1061 0.0600 0.0837 0.1140 0.1383 0.2042 0.2020 0.2958 0.3191 0.4496 0.4650 0.3783 0.4423 0.6078 0.7161 0.4543 0.6857 0.7569 0.7642 0.6121 0.6018 0.1815 0.5462 1.1931 1.2624 1.3581 1.2072 0.8292 0.7469 1.4426 1.5052 2.0010 1.6993 1.4471 2.2309 2.3935 1.4320 2.2675 1.5824 1.8583 1.6293 3.8524 4.4539 2.1320 2.4185 2.3146 2.5217 2.5406 0.7318 0.7312 1.0314 1.4020 2.6292 0.6966 0.9495 1.0035 3.3203 0.9972 1.9350 1.5585 0.9806 0.9829 2.2275 2.2279 1.6964 1.4122 1.2125 1.2805 1.5468 2.0250 1.8787 4.0932 3.1976 3.1820 3.4584 3.9288 1.2611 4.5245 1.8110 2.3537 1.4855 2.6366 2.3914 2.0534 1.7341 3.0202 3.3111 1.7306 1.8479 8.0556 4.4176 3.0557 1.7202 2.2240 2.1094 3.4942 1.7955 1.9152 2.5856 1.8397 2.7750 8.0710 3.0565 1.7673 1.6312 1.9044 1.6415 1.6450 1.7758 1.6585 1.6627 1.6815 1.6905 1.7121 11.8987 4.9589 3.9682 10.4345 12.3185 15.0944 10.6701 12.5101 18.8993 27.3186 30.1184 30.8983 6.2526 6.4673 6.3749 6.3200 6.3727 6.7346 6.4259 6.9125 6.9423 6.9618 6.9601 6.9668 6.9727 7.0670 7.2866 7.2108 7.3564 7.2646 7.3377 7.3626 7.3151 7.3955 7.4386 7.5090 10.1174
0.0889 0.2314 0.1839 0.1884 0.1143 0.2846 0.4391 0.1688 0.9445 2.0153 0.0295 2.2756 0.4258 0.2612 0.1464 0.8451 0.3755 0.5077 1.0795 1.7225 0.2873 4.0414 2.8492 1.5576 2.0099 1.3829 1.7366 0.2194 2.0471 0.6211 0.9116 3.1875 2.7962 6.8267 3.5275 33.3826 4.2131 1.8245 2.9297 0.8568 8.8357 3.1538 7.9373 2.3197 10.6874 1.3305 1.2447 119.3584 5.8528 8.2246 0.0291 2.6375 8.9487 2.0841 11.5347 7.0695 11.1334 1.4481 23.1575 1.7370 4.6790 8.2314 2.3311 28.9472 16.4811 7.5175 10.7146 22.5185 32.0117 5.0165 32.3546 28.1146 82.6405 21.5561 19.9208 14.5816 17.7868 1.6545 4.6527 0.7185 22.2901 0.1054 21.3909 0.1113 3.8255 25.7904 1.0614 0.0722 4.9042 17.6435 61.3009 18.4512 1.6008 2.6878 1.3533 3.6090 0.4426 204.7412 53.6907 34.2284 39.5467 202.9150 5.0199 102.7762 5.1690 5.3425 10.4845 27.8934 86.2370 1.8439 17.8457 74.2829 125.4019 48.9421 31.5283 839.7565 144.9233 234.2498 1.5079 25.9795 117.9115 314.9072 2.3086 64.5231 19.1863 1.2069 29.4323 65.9002 20.9588 79.9404 5.1103 27.7544 0.0198 6.6233 7.5957 1.8176 4.1296 6.0882 8.6913 3.8242 536.7832 27.3314 16.0876 0.7732 55.3381 137.4474 8.0185 6.0770 236.7016 406.1366 197.6780 660.8338 31.0847 25.0125 26.5404 31.4124 15.0509 14.7445 43.8344 0.7594 110.6728 27.9185 12.6770 19.1523 47.9157 20.0539 25.5580 15.3399 21.7877 11.7816 21.2528 1.7715 15.4647 8.6350 3.2467 2.2406 216.8689
0.7031 3.3548 2.3771 0.7085 2.4425 3.9142 2.8138 1.8109 1.6031 0.4049 1.6315 0.4230 0.8765 0.9168 0.4152 0.7429 0.3808 0.4622 0.1508 0.9698 0.2423 0.4124 1.1145 1.5240 2.3958 1.5917 1.2493 1.8375 1.2369 2.5935 0.8467 0.7817 1.1883 2.7643 1.4711 0.8201 0.6242 0.9403 2.4976 2.3287 2.0174 0.7715 1.3251 1.1764 1.0614 0.2473 0.4822 2.1071 0.7665 3.0745 2.7046 2.9910 10.7891 3.4919 0.5242 2.8038 5.4172 7.5602 4.6008 1.5596 5.1237 1.0691 1.1837 3.1866 20.0261 15.1223 4.9492 5.4805 2.4162 15.2684 2.3234 9.0097 4.2452 10.3982 0.9607 1.6791 1.1959 7.3194 1.0488 0.3931 0.9013 8.3826 5.5660 0.9533 3.5898 5.5874 1.9387 0.1565 0.2023 6.1429 14.8557 4.2343 0.2800 2.4091 0.5869 1.7429 5.1829 4.8276 0.9804 5.2561 4.7795 11.8921 4.9071 2.3765 0.3206 2.7570 11.2599 15.0800 3.9539 10.8414 9.8140 24.1969 34.8746 5.5738 5.0593 22.5224 93.0271 26.9813 10.5806 1.7553 2.6348 2.3665 1.1560 38.6825 9.1831 2.7118 6.8503 13.7159 2.6087 44.5060 21.6314 2.3237 24.0504 14.9471 13.3621 4.7778 19.4108 31.8547 19.6823 2.9303 351.3603 0.9972 0.9433 2.6572 6.0795 30.5793 70.5565 141.9682 184.8039 23.2628 39.3567 88.5771 1.4792 72.5095 209.9665 184.2173 144.8022 35.6687 111.9230 7.5005 208.3170 34.7503 87.2324 95.2230 49.9407 69.2530 55.6117 34.9626 64.0540 37.3874 77.8819 41.8887 92.1895 81.7925 64.4085 67.7908 87.3997
0.6993 0.7435 0.7499 0.7195 0.7219 0.7236 0.7484 0.7450 0.7483 0.6848 0.7442 0.6983 0.7435 0.7155 0.7121 0.6111 0.7217 0.5539 0.6567 0.7262 0.5131 0.6275 0.6351 0.2297 0.6478 0.7487 0.7474 0.7473 0.0366 0.1506 0.7217 0.4829 0.4090 0.7281 0.4862 0.3503 0.5085 0.6517 0.0366 0.3649 0.7428 0.7427 0.5876 0.2311 0.6607 0.7498 0.3722 0.7468 0.1817 0.7489 0.6294 0.6767 0.2016 0.2121 0.4750 0.7199 0.5156 0.7492 0.5094 0.6022 0.3177 0.4509 0.6656 0.4872 0.0079 0.1298 0.4965 0.3794 0.6872 0.0488 0.1970 0.3716 0.2988 0.2438 0.5117 0.6921 0.2727 0.7365 0.5557 0.7311 0.7442 0.7494 0.3006 0.7440 0.5690 0.5720 0.4790 0.6961 0.7320 0.1170 0.2825 0.1410 0.6937 0.7496 0.7423 0.4317 0.7496 0.3990 0.7497 0.2464 0.6828 0.1003 0.7487 0.5392 0.4686 0.6991 0.0463 0.0734 0.3611 0.3526 0.5596 0.1794 0.2080 0.5737 0.6957 0.4426 0.3590 0.6251 0.7494 0.5493 0.6349 0.7024 0.7492 0.5761 0.5013 0.7266 0.5487 0.5724 0.6951 0.4081 0.7439 0.7365 0.7498 0.7455 0.7295 0.7499 0.7471 0.7374 0.7007 0.3613 0.3232 0.7228 0.7492 0.7489 0.5139 0.5391 0.5146 0.4271 0.1872 0.3252 0.2362 0.1299 0.7340 0.4108 0.0317 0.0404 0.0772 0.1457 0.0038 0.7463 0.6019 0.7498 0.7445 0.7331 0.6793 0.7454 0.7459 0.7493 0.7316 0.6850 0.1722 0.6514 0.3603 0.1362 0.2572 0.1975 0.2362
0.8230 0.8529 0.8571 0.8369 0.8385 0.8396 0.8561 0.8539 0.8560 0.8129 0.8533 0.8224 0.8529 0.8342 0.8319 0.7586 0.8384 0.7129 0.7928 0.8414 0.6782 0.7711 0.7768 0.3735 0.7863 0.8563 0.8554 0.8554 0.0705 0.2617 0.8383 0.6513 0.5806 0.8427 0.6543 0.5189 0.6741 0.7891 0.0706 0.5347 0.8524 0.8524 0.7402 0.3755 0.7957 0.8570 0.5424 0.8550 0.3075 0.8564 0.7725 0.8071 0.3356 0.3500 0.6440 0.8372 0.6804 0.8566 0.6750 0.7517 0.4822 0.6216 0.7993 0.6552 0.0156 0.2298 0.6636 0.5501 0.8146 0.0930 0.3292 0.5419 0.4602 0.3921 0.6770 0.8181 0.4285 0.8482 0.7144 0.8446 0.8533 0.8567 0.4622 0.8532 0.7253 0.7278 0.6477 0.8208 0.8452 0.2096 0.4406 0.2471 0.8191 0.8569 0.8521 0.6031 0.8569 0.5704 0.8570 0.3954 0.8115 0.1823 0.8563 0.7006 0.6382 0.8229 0.0884 0.1367 0.5306 0.5214 0.7176 0.3042 0.3443 0.7291 0.8205 0.6136 0.5283 0.7693 0.8568 0.7091 0.7767 0.8252 0.8566 0.7310 0.6678 0.8417 0.7086 0.7281 0.8201 0.5796 0.8532 0.8483 0.8570 0.8542 0.8436 0.8571 0.8553 0.8489 0.8240 0.5308 0.4886 0.8391 0.8566 0.8564 0.6789 0.7006 0.6795 0.5985 0.3153 0.4908 0.3821 0.2299 0.8466 0.5824 0.0615 0.0776 0.1433 0.2544 0.0076 0.8547 0.7515 0.8570 0.8535 0.8460 0.8091 0.8542 0.8545 0.8567 0.8450 0.8131 0.2938 0.7889 0.5297 0.2398 0.4092 0.3298 0.3821
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
6 6 6 6 6 6 6 9 6 8 6 6 6 8 7 6 1 6 6 6 6 6 6 6 6 6 6 7 6 6 16 6 8 8 6 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
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 12.00000 15.99491 15.99491 12.00000 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
16306.5362 26459.2976 29810.2336
0.99997 -0.00234 0.00734 0.00238 0.99999 -0.00478 -0.00733 0.00480 0.99996
1
0.00531 0.00327 0.00291
0.11068 0.06821 0.06054
16.09 20.39 23.54 31.01 36.49 47.03 70.54 82.47 84.67 89.14 101.33 129.12 141.61 146.07 147.52 165.77 185.07 194.38 220.64 242.39 252.26 270.56 295.81 325.03 334.38 348.26 355.35 366.81 391.72 395.07 421.07 435.00 444.49 467.70 475.17 489.06 513.43 537.19 550.80 576.77 587.44 650.35 661.86 676.76 711.75 718.35 733.17 743.02 751.78 787.74 830.21 862.34 880.85 886.34 895.41 928.70 967.37 1004.46 1013.26 1025.42 1054.62 1099.99 1123.68 1139.53 1153.81 1188.23 1193.15 1207.52 1242.94 1261.60 1270.51 1297.82 1314.89 1338.03 1365.55 1367.55 1385.48 1388.08 1451.32 1458.74 1464.55 1500.86 1522.06 1562.61 1573.50 1580.95 1586.36 1588.84 1604.04 1626.78 1649.51 1670.07 1686.24 1692.58 1733.63 1757.30 1761.88 1781.54 1792.11 1809.35 1827.76 1841.86 1867.29 1868.99 1888.83 1889.86 1892.13 1917.36 1927.16 1933.76 1937.99 2008.83 2019.45 2041.79 2067.98 2085.13 2097.02 2105.07 2128.62 2136.45 2186.25 2205.37 2236.76 2249.48 2250.87 2262.25 2269.49 2284.84 2294.16 2323.74 2342.95 2346.98 2348.01 2351.04 2354.53 2356.58 2361.76 2370.99 2371.78 2377.32 2419.17 2424.64 2436.09 2552.56 2555.80 2556.70 2623.44 2626.01 2785.03 2852.52 2857.11 2895.90 4605.42 4608.76 4615.31 4628.34 4635.84 4669.56 4683.93 4691.77 4703.46 4707.92 4711.70 4711.79 4712.84 4742.95 4804.39 4823.59 4827.25 4842.40 4851.36 4851.96 4852.90 4870.04 4890.31 4910.14 5774.56
0.509742
0.542803
0.543747
0.439207
-2016.677434
-2016.644373
-2016.643429
-2016.747969
3.506289D-04
MUNgauss
RevisionA2.0
retrievium
29-Feb-2020
DUDE Cc1ccc(cc1F)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)C(C)C)c4nc(c(s4)C(=O)OC)C)O C16805533
RHF
6-31G(d)
(6D,10F)
C1
508.146822
|X|Y|Z|
75.008927 104.025202 60.424997
77.831617
23
|36.858105|
|12.637297|36.858105|
|7.485572|13.708062|36.858105|
|4.990142|7.870936|13.767779|36.858105|
|4.413841|6.781960|7.927806|13.720510|36.858105|
|5.016899|7.847707|6.891720|7.944834|13.700186|36.858105|
|7.588312|13.764076|8.067884|6.962404|7.995341|13.858610|36.858105|
|6.841687|8.161725|5.322083|4.681078|5.302996|8.190905|14.285394|97.533100|
|3.277172|4.424348|5.062209|7.667430|12.720992|7.543734|5.049930|8.836396|36.858105|
|2.936519|3.808281|4.543879|6.745077|8.122782|5.344805|4.054528|7.318096|15.974883|73.516695|
|2.847478|3.647257|3.845121|5.011519|7.387403|6.322005|4.355788|8.284686|12.723048|14.493395|36.858105|
|2.452194|3.014650|3.120139|3.854252|5.143995|4.761702|3.548817|7.117057|7.563408|11.236047|14.410115|36.858105|
|2.208899|2.631993|2.656040|3.127540|3.965953|3.921124|3.090320|6.479544|5.053340|7.746657|8.246353|12.804709|36.858105|
|1.971206|2.295141|2.301228|2.646195|3.230567|3.235484|2.655714|5.699232|3.938535|6.347848|5.549250|8.043708|16.010323|73.516695|
|2.341492|2.799415|2.804743|3.279034|4.163320|4.183855|3.305787|6.924987|5.045810|7.420944|8.194331|8.351726|13.891590|14.569870|53.358707|
|2.772909|3.458678|3.527443|4.300090|5.805259|5.586272|4.136895|8.192720|7.160036|9.462373|12.518066|8.180582|8.081567|9.617726|17.630342|36.858105|
|3.099643|3.897505|3.793214|4.442220|6.084994|6.657804|4.900742|9.852944|6.322314|8.240417|8.842476|6.274528|6.254808|8.178642|12.397309|17.577980|0.500000|
|2.639157|3.233241|3.431478|4.168789|5.031922|4.497604|3.608729|7.074711|5.966163|8.821081|7.490137|5.517382|5.455738|7.374053|10.373947|12.532777|0.248626|36.858105|
|2.870624|3.483858|3.684919|4.280358|4.818425|4.420390|3.772714|7.377941|4.955879|7.462249|5.345636|4.090318|4.013603|5.780229|7.146298|7.568748|0.205872|13.781466|36.858105|
|2.589290|3.028613|3.272970|3.690355|3.836175|3.470100|3.118052|6.183514|3.933880|6.383000|4.022991|3.286385|3.235537|4.867970|5.408427|5.012193|0.133726|7.910274|13.713667|36.858105|
|2.236292|2.584640|2.828616|3.229501|3.332978|2.960946|2.645550|5.289204|3.611720|6.171489|3.721562|3.171237|3.140337|4.808060|5.070653|4.398311|0.110642|6.775819|7.882743|13.754048|36.858105|
|2.123738|2.481106|2.713595|3.188999|3.413393|2.992753|2.592466|5.183311|3.972377|6.910038|4.291678|3.735525|3.725937|5.642934|5.957144|5.005129|0.116724|7.915422|6.915188|8.000459|13.640566|36.858105|
|2.269747|2.711811|2.933998|3.546014|4.046709|3.535551|2.930680|5.821814|5.027793|8.344393|6.013200|5.061506|5.074395|7.211653|8.542116|7.504823|0.155463|13.681590|7.986296|6.910050|7.877569|13.819646|36.858105|
|2.006452|2.253445|2.464027|2.724279|2.716711|2.446202|2.254983|4.572640|2.873047|5.045300|2.888626|2.550417|2.528949|3.999852|3.930232|3.254871|0.084330|4.396409|4.996344|7.537197|12.519435|7.479151|4.988998|36.858105|
|1.934029|2.168853|2.425336|2.699510|2.620533|2.308389|2.133568|4.289615|2.796497|5.107418|2.715631|2.422840|2.338982|3.731578|3.504165|2.895374|0.074473|3.727523|4.005597|5.313464|7.523608|6.066387|4.310384|12.411125|36.858105|
|1.757581|1.945737|2.082558|2.275428|2.309989|2.130871|1.971185|4.081017|2.460101|4.312849|2.549473|2.327648|2.380592|3.849528|3.678424|2.890878|0.074919|3.728964|4.009192|5.316527|7.523954|6.064615|4.308517|12.411178|7.522110|36.858105|
|2.132272|2.471696|2.441406|2.750115|3.320875|3.420711|2.868625|6.213005|3.751992|5.752516|5.183010|5.248380|7.817711|11.567710|18.701596|7.558617|0.187344|6.106593|4.767886|3.792900|3.569278|4.064320|5.322076|2.832485|2.461781|2.751922|36.858105|
|1.867039|2.126483|2.116329|2.363780|2.770247|2.807281|2.412968|5.259249|3.141301|5.024843|4.118865|4.404818|6.463785|11.301731|11.067705|5.247394|0.129841|4.724366|3.832938|3.278354|3.238124|3.745624|4.632606|2.663501|2.335689|2.682797|14.937515|53.358707|
|1.749992|1.954746|1.925813|2.103175|2.409851|2.477376|2.196258|4.874795|2.631941|4.243641|3.266877|3.382380|4.478446|7.991501|7.366452|4.081491|0.107877|3.864799|3.396461|3.009120|2.949048|3.254207|3.752274|2.506548|2.174099|2.589248|8.695935|18.870528|36.858105|
|1.862030|2.066867|2.006436|2.159386|2.469094|2.594905|2.334948|5.256081|2.610791|4.143602|3.184098|3.162508|3.991868|6.806478|6.863536|4.101235|0.115167|3.895799|3.614388|3.165471|2.976502|3.139548|3.567259|2.528511|2.159582|2.582053|7.893398|11.268501|14.058233|36.858105|
|2.241969|2.548727|2.445814|2.654738|3.136501|3.382419|2.968858|6.647627|3.272465|4.980113|4.127230|3.889217|4.864016|7.579508|9.542157|5.910293|0.179610|5.207155|4.810690|3.840750|3.398258|3.545651|4.252015|2.756732|2.343596|2.678852|11.006976|10.137463|7.478585|10.912585|388.023441|
|1.740535|1.891293|1.823190|1.923388|2.150376|2.271736|2.105651|4.810531|2.219695|3.564616|2.598242|2.557804|3.062604|5.293015|4.987389|3.208602|0.092160|3.135857|3.066038|2.794156|2.621655|2.671830|2.901177|2.310893|1.976541|2.394316|4.934326|6.960798|7.474709|12.955319|48.251802|36.858105|
|1.570006|1.691838|1.639912|1.725375|1.906995|1.995345|1.861826|4.248994|1.976117|3.221212|2.281804|2.275846|2.696717|4.768185|4.224612|2.728326|0.077061|2.695734|2.628807|2.458394|2.360592|2.413972|2.570764|2.131173|1.842641|2.249059|4.002335|5.957772|6.323019|8.039275|34.429546|15.998995|73.516695|
|1.864600|2.007954|1.909581|1.985156|2.208098|2.371376|2.238162|5.184133|2.221236|3.536208|2.554113|2.455468|2.849361|4.820433|4.668991|3.163261|0.094388|3.094486|3.154166|2.862613|2.600903|2.572828|2.773423|2.298378|1.958332|2.338455|4.370409|5.667537|5.266300|8.252648|47.202624|14.374065|15.291450|73.516695|
|1.724630|1.821511|1.728731|1.772048|1.934995|2.072504|1.997791|4.664538|1.925767|3.104334|2.158343|2.079549|2.352637|4.026319|3.721494|2.580639|0.076635|2.557100|2.648900|2.479838|2.273938|2.218530|2.333878|2.070689|1.782126|2.124068|3.298732|4.372329|3.916782|5.243810|31.721400|8.139728|12.842276|23.884057|36.858105|
|1.539385|1.698618|1.683305|1.827043|2.053681|2.088571|1.878122|4.174655|2.242408|3.706390|2.695346|2.838020|3.605863|6.761291|5.422310|3.169594|0.083345|3.080572|2.756442|2.542991|2.565667|2.830604|3.128878|2.262631|1.995885|2.398303|5.346697|10.604090|12.719414|7.415630|33.647478|5.941305|10.946205|7.542592|3.465575|36.858105|
|2.284812|2.762222|2.875959|3.501127|4.428255|4.078983|3.175489|6.434363|6.173658|10.529818|7.922496|14.410111|7.879339|12.129857|7.372399|5.241295|0.123526|4.069017|3.239608|2.736128|2.690880|3.126726|3.947401|2.244634|2.186871|2.066169|3.970212|4.865436|2.860068|2.657935|22.092174|2.214438|3.573920|3.777087|1.837389|2.504866|73.516695|
|17.563760|8.859557|5.845305|4.283447|3.964936|4.608935|6.744261|15.411899|3.031842|4.790205|2.725778|2.353017|2.166493|3.443461|3.175573|2.746324|0.086646|2.632588|2.921755|2.640694|2.250085|2.111803|2.246202|2.023624|1.921846|1.781427|2.161606|2.570573|1.789711|1.929258|16.573327|1.820961|2.909357|3.514809|1.838172|1.569061|3.850965|0.500000|
|17.565340|8.864644|5.853917|4.290619|3.966100|4.607473|6.747140|15.438360|3.037536|4.876059|2.676900|2.357845|2.127300|3.412358|3.021413|2.572196|0.079421|2.402823|2.552356|2.299962|2.019255|1.944706|2.089116|1.819208|1.760002|1.614284|2.024925|2.429558|1.675465|1.775727|15.060113|1.663861|2.680007|3.158211|1.649735|1.481848|3.968614|0.302823|0.500000|
|17.595184|8.883256|7.192223|4.727806|3.949470|4.168256|5.597494|11.135891|3.028357|4.968896|2.604746|2.257945|2.033486|3.243602|2.921279|2.526650|0.076746|2.464700|2.692493|2.495995|2.179887|2.055265|2.160213|1.987502|1.941124|1.733279|1.962734|2.364677|1.632238|1.726321|14.553450|1.620919|2.617732|3.071957|1.609054|1.448373|3.774185|0.301157|0.301192|0.500000|
|6.932143|8.944547|17.717413|8.946695|5.647387|4.961737|5.704011|9.619660|4.129463|6.978382|3.236293|2.703979|2.338684|3.656704|3.344806|3.009261|0.088255|3.015732|3.268087|3.034936|2.668956|2.529172|2.659329|2.391263|2.395839|2.017566|2.176829|2.609957|1.761318|1.830301|15.536860|1.681303|2.710989|3.127831|1.610506|1.557570|4.503966|0.151028|0.151272|0.220059|0.500000|
|4.068122|5.616978|8.903694|17.756231|8.948423|5.657763|5.001412|8.335252|7.162316|13.286071|4.664787|3.683640|2.982540|4.525648|4.203541|3.963270|0.108510|4.036623|4.086047|3.690312|3.352215|3.333392|3.617158|2.861983|2.929962|2.359437|2.601751|3.097342|2.021121|2.049545|17.535861|1.827631|2.938358|3.321173|1.674326|1.775417|6.072527|0.099052|0.099285|0.112359|0.215205|0.500000|
|4.120189|5.634296|4.964940|5.625787|8.811438|17.742265|9.014346|16.897198|6.861012|8.677532|6.969822|5.462565|4.585972|6.641962|6.619817|6.262909|0.217687|4.555064|4.267543|3.300582|2.851807|2.942533|3.560426|2.347199|2.191889|2.085049|3.894449|4.258320|2.729277|2.860381|27.143817|2.464319|3.816544|4.551008|2.206308|2.268800|8.063172|0.109249|0.109406|0.096354|0.107727|0.123782|0.500000|
|3.267762|3.994679|4.052382|4.514537|5.129460|5.050090|4.419785|8.669480|4.791836|6.984753|5.053422|3.865328|3.780407|5.495822|6.664382|7.022500|0.228595|8.923030|17.701627|8.930184|5.632087|4.972754|5.658803|4.087773|3.386530|3.390948|4.511825|4.860181|3.240839|3.573776|35.329137|3.091909|4.659500|5.857822|2.772679|2.618586|5.500291|0.094315|0.079607|0.083450|0.097832|0.113688|0.134036|0.500000|
|2.650121|3.023910|3.237000|3.489714|3.499518|3.242373|3.037671|6.090655|3.419971|5.585296|3.406249|2.833538|2.787505|4.277542|4.556845|4.099406|0.114809|5.646336|8.940718|17.707343|8.926958|5.664942|4.970570|6.998153|5.002617|5.008465|3.262734|3.892107|2.702404|2.897348|24.585145|2.647014|4.166881|4.933072|2.459265|2.316915|4.290361|0.076232|0.064744|0.071637|0.085004|0.096172|0.084653|0.216999|0.500000|
|1.916714|2.209039|2.415793|2.810292|2.966972|2.614607|2.290877|4.624464|3.466481|6.251207|3.707552|3.388882|3.397028|5.319786|5.170062|4.092649|0.096608|5.650320|4.974258|5.666560|8.875599|17.719380|8.997677|6.918047|6.304423|6.298175|3.582660|4.713563|3.038051|2.861138|21.971781|2.467169|4.045256|4.167894|2.049567|2.742227|5.227315|0.052741|0.049188|0.051878|0.063363|0.082635|0.071706|0.107865|0.124157|0.500000|
|2.115399|2.513768|2.704625|3.270626|3.779448|3.323131|2.736636|5.491171|4.918103|8.444368|6.210439|5.797793|5.939588|8.465804|9.136794|6.944801|0.140298|8.889745|5.663379|4.971406|5.627163|8.968861|17.718480|4.078873|3.725821|3.722912|5.457543|6.801082|3.856220|3.493020|28.530894|2.807441|4.480111|4.671040|2.216531|3.275108|8.053849|0.057743|0.054829|0.055887|0.068217|0.093064|0.094922|0.124154|0.107825|0.218321|0.500000|
|2.080074|2.307747|2.509317|2.708274|2.658405|2.425521|2.281581|4.644847|2.718573|4.716616|2.697980|2.367028|2.341674|3.711896|3.649099|3.048262|0.081399|4.001505|4.836544|7.468136|9.020535|5.600696|4.205204|17.533969|8.949854|8.950254|2.648549|3.357430|2.358520|2.431222|18.989926|2.263595|3.703445|4.081597|2.092991|2.123217|3.715317|0.058826|0.051999|0.057532|0.068258|0.078207|0.064128|0.115298|0.231010|0.139920|0.096559|0.500000|
|1.795632|1.979562|2.194850|2.391885|2.305184|2.061485|1.934399|3.930803|2.422588|4.422287|2.352749|2.129074|2.068645|3.345198|3.071569|2.494905|0.065107|3.096665|3.335941|4.276971|5.487776|4.584162|3.482391|8.787816|17.542967|6.887339|2.185940|2.852712|1.981064|1.974016|14.995644|1.836029|3.072822|3.242271|1.682457|1.843493|3.460234|0.049724|0.045572|0.050384|0.060928|0.071675|0.054486|0.081064|0.117767|0.134080|0.086029|0.215600|0.500000|
|2.106079|2.379863|2.722553|3.049479|2.878834|2.485510|2.303889|4.563830|3.034741|5.601522|2.845284|2.494420|2.352020|3.721512|3.504384|2.971478|0.076922|3.797070|4.148387|5.412478|6.898847|5.579558|4.231941|8.755471|17.560194|5.471765|2.413235|3.068482|2.082446|2.081676|16.385800|1.900944|3.132248|3.378670|1.729052|1.895697|4.014097|0.057686|0.052816|0.059183|0.075452|0.093966|0.064457|0.098561|0.143762|0.151364|0.101176|0.213321|0.301084|0.500000|
|1.838083|2.071458|2.314790|2.614294|2.574869|2.255341|2.058214|4.142804|2.829928|5.266139|2.776511|2.519442|2.431381|3.899475|3.586706|2.911912|0.073383|3.710909|3.756993|4.671498|6.719590|6.493570|4.542139|8.735432|17.550000|6.792416|2.501818|3.275017|2.213306|2.156897|16.471191|1.954707|3.255726|3.396174|1.730814|2.050171|4.073151|0.050416|0.046869|0.051027|0.063098|0.079312|0.060013|0.087637|0.116818|0.213466|0.112922|0.173688|0.301868|0.301730|0.500000|
|1.763245|1.944311|2.048661|2.219742|2.282369|2.144448|1.989263|4.161817|2.408812|4.145254|2.542646|2.324990|2.425534|3.927891|3.818537|2.963066|0.077764|3.799463|4.155069|5.417895|6.898902|5.576677|4.228602|8.755618|5.471791|17.559940|2.942651|3.911693|2.838343|2.876624|20.928286|2.695634|4.487713|4.685264|2.387486|2.611795|3.635933|0.050087|0.045029|0.047963|0.054745|0.062882|0.058815|0.098800|0.144072|0.151157|0.101040|0.213351|0.140772|0.122454|0.139025|0.500000|
|1.650608|1.804185|1.929141|2.079660|2.083558|1.931025|1.809896|3.766993|2.192193|3.872078|2.241289|2.063060|2.097535|3.430189|3.187999|2.491985|0.065406|3.097473|3.337951|4.278412|5.487801|4.583462|3.481425|8.787445|6.887499|17.543139|2.383495|3.182730|2.283133|2.284406|16.678825|2.159724|3.651542|3.772484|1.964058|2.149761|3.305076|0.046500|0.042213|0.045541|0.052499|0.060059|0.052310|0.081141|0.117859|0.134007|0.085984|0.215583|0.207095|0.140768|0.168871|0.301093|0.500000|
|1.678960|1.867341|2.000935|2.210767|2.268145|2.082702|1.905771|3.946605|2.470769|4.379431|2.592958|2.408766|2.480394|4.040921|3.783112|2.907299|0.073831|3.712644|3.760317|4.673981|6.720561|6.492113|4.540256|8.736089|6.792710|17.549185|2.824032|3.827536|2.681648|2.601421|18.881777|2.378941|4.003348|4.048769|2.055823|2.520272|3.818992|0.046965|0.043132|0.045873|0.053628|0.063981|0.057055|0.087745|0.116924|0.213169|0.112821|0.173697|0.168860|0.139035|0.200405|0.301678|0.301873|0.500000|
|1.631108|1.720688|1.650569|1.695228|1.833600|1.935039|1.864312|4.301346|1.835228|2.986083|2.042372|1.966689|2.212588|3.791050|3.484594|2.429546|0.070985|2.468109|2.570506|2.467840|2.294431|2.223851|2.295269|2.123096|1.816315|2.218305|3.068444|4.149160|3.724470|4.766980|28.158266|7.203246|12.799496|16.438094|17.639103|3.415794|3.101909|0.048140|0.043200|0.042622|0.043003|0.044867|0.056623|0.073547|0.068341|0.057503|0.060400|0.059709|0.047921|0.048528|0.048925|0.070066|0.057275|0.059470|0.500000|
|1.624632|1.708937|1.618796|1.658057|1.812009|1.945434|1.876961|4.411982|1.809273|2.929445|2.028044|1.982474|2.249741|3.915098|3.482002|2.380247|0.070253|2.319745|2.361764|2.205952|2.046938|2.022372|2.137553|1.872547|1.635273|1.921970|3.063521|4.141485|3.722119|4.769354|28.169769|7.206469|12.810698|16.438702|17.639784|3.413666|3.148419|0.047884|0.043537|0.042106|0.041943|0.043558|0.057834|0.068362|0.060454|0.052396|0.057191|0.052282|0.043004|0.044156|0.044404|0.059280|0.049645|0.052153|0.300141|0.500000|
|1.821662|1.905758|1.791070|1.814653|1.970645|2.131036|2.085835|4.920038|1.928793|3.097039|2.134212|2.031369|2.257514|3.824256|3.568716|2.541267|0.076809|2.516847|2.663258|2.490968|2.244581|2.157783|2.263899|2.048283|1.765858|2.070488|3.073830|3.961055|3.391747|4.425286|29.747261|5.944546|9.200015|16.931899|17.665677|2.971939|3.194083|0.054515|0.048314|0.047083|0.046380|0.047341|0.062651|0.079082|0.069710|0.055025|0.059200|0.058210|0.046382|0.047948|0.047272|0.064329|0.053411|0.055103|0.298496|0.298509|0.500000|
|1.495870|1.649694|1.632109|1.772733|1.999308|2.038732|1.829657|4.081247|2.193866|3.641836|2.642031|2.857214|3.666813|7.226680|5.226733|3.013515|0.079080|2.846000|2.522509|2.312010|2.331418|2.587947|2.889296|2.062895|1.852948|2.159860|4.909065|9.576114|9.008983|5.857581|29.750999|4.818939|8.846988|6.504649|3.065904|17.561881|4.568232|0.042151|0.040263|0.039057|0.041923|0.047839|0.061925|0.067000|0.058632|0.070118|0.085666|0.053810|0.047629|0.049254|0.053125|0.064258|0.054211|0.063195|0.082658|0.085863|0.074360|0.500000|
|1.475777|1.611292|1.588525|1.704537|1.896403|1.941134|1.771606|3.971103|2.035212|3.368471|2.396030|2.483790|3.051325|5.645153|4.594878|2.801908|0.075322|2.752772|2.540888|2.377419|2.380553|2.559241|2.762395|2.138159|1.881865|2.285123|4.392543|7.714450|8.870607|6.943804|30.613544|6.700572|14.350000|8.126068|3.850506|17.691818|3.936909|0.042016|0.039499|0.038632|0.041028|0.045938|0.058222|0.067920|0.061205|0.068870|0.078653|0.056400|0.048751|0.049602|0.053243|0.069755|0.057550|0.065944|0.107261|0.107334|0.089036|0.299280|0.500000|
|1.500136|1.658827|1.662611|1.815245|2.024617|2.024124|1.816425|3.991693|2.234570|3.741250|2.665301|2.799962|3.496063|6.492747|5.213043|3.105530|0.079971|3.122813|2.775113|2.612743|2.709739|3.041982|3.302076|2.406555|2.123496|2.601019|4.908015|9.582144|8.998932|5.862321|29.728804|4.839509|8.896683|6.527551|3.077632|17.559449|4.413795|0.042313|0.039978|0.039444|0.042930|0.049491|0.060370|0.071748|0.065629|0.083583|0.097119|0.061880|0.054443|0.055405|0.061218|0.078509|0.064461|0.077407|0.086314|0.082902|0.074597|0.302840|0.299406|0.500000|
|2.080045|2.461162|2.527975|2.988806|3.666268|3.495840|2.815035|5.856331|4.761142|8.172317|6.078633|10.245359|8.033412|14.667708|7.054830|4.604506|0.110300|3.649249|2.937944|2.516747|2.497319|2.904072|3.609182|2.109010|2.047067|1.975951|3.966607|5.044063|2.951326|2.688232|21.712875|2.234707|3.634355|3.763964|1.832190|2.622078|35.503689|0.055253|0.056790|0.053797|0.062623|0.081088|0.108942|0.078018|0.062027|0.076988|0.116587|0.054514|0.050994|0.058052|0.059770|0.054601|0.049543|0.057399|0.048313|0.049429|0.049411|0.076129|0.063929|0.071959|0.500000|
2014.907932
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