Version2.1
2021-01-08T05:35:29Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
09-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CN(c1ccccc1)c2nc3c(s2)c(nn(c3=O)CC(=O)NCCOC)c4ccc(cc4)F C38491867
RHF
6-31G(d)
(6D,7F)
CN(c1ccccc1)c2nc3c(s2)c(nn(c3=O)CC(=O)NCCOC)c4ccc(cc4)F
C01[X(C23H22F1N5O3S1)]
159
C1
543
COCCNC(=O)Cn1nc(c2ccc(cc2)F)c2c(c1=O)nc(s2)N(c1ccccc1)C
COCCNC(=O)Cn1nc(c2ccc(cc2)F)c2c(c1=O)nc(s2)N(c1ccccc1)C
COCCNC(=O)CN1N=C(c2ccc(F)cc2)c3sc(nc3C1=O)N(C)c4ccccc4
InChIKey=HGIDNEGTLMUNND-UHFFFAOYSA-N
InChI=1S/C23H22FN5O3S/c1-28(17-6-4-3-5-7-17)23-26-20-21(33-23)19(15-8-10-16(24)11-9-15)27-29(22(20)31)14-18(30)25-12-13-32-2/h3-11H,12-14H2,1-2H3,(H,25,30)
InChI=1/C23H22FN5O3S/c1-28(17-6-4-3-5-7-17)23-26-20-21(33-23)19(15-8-10-16(24)11-9-15)27-29(22(20)31)14-18(30)25-12-13-32-2/h3-11H,12-14H2,1-2H3,(H,25,30)/f/h25H
CN(c1ccccc1)c2nc3c(s2)c(nn(c3=O)CC(=O)NCCOC)c4ccc(cc4)F
C01[X(C23H22F1N5O3S1)]
159
C01
543
COCCNC(=O)Cn1nc(c2ccc(cc2)F)c2c(c1=O)nc(s2)N(c1ccccc1)C
COCCNC(=O)CN1N=C([C]2[CH][CH][C]([CH][CH]2)F)[C]2[C]([N][C](S2)N([C]2[CH][CH][CH][CH][CH]2)C)C1=O
COCCNC(=O)CN1N=C([C]2[CH][CH][C](F)[CH][CH]2)[C]3S[C]([N][C]3C1=O)N(C)[C]4[CH][CH][CH][CH][CH]4
InChIKey=HGIDNEGTLMUNND-UHFFFAOYSA-N
InChI=1S/C23H22FN5O3S/c1-28(17-6-4-3-5-7-17)23-26-20-21(33-23)19(15-8-10-16(24)11-9-15)27-29(22(20)31)14-18(30)25-12-13-32-2/h3-11H,12-14H2,1-2H3,(H,25,30)
InChI=1/C23H22FN5O3S/c1-28(17-6-4-3-5-7-17)23-26-20-21(33-23)19(15-8-10-16(24)11-9-15)27-29(22(20)31)14-18(30)25-12-13-32-2/h3-11H,12-14H2,1-2H3,(H,25,30)/f/h25H
3363.0760359922
-1877.5445371
1-A
22467.2142
122
421
543
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10.42351
0.9235 0.2745 -1.2357
1.5669
|XX|YY|ZZ|XY|XZ|YZ|
-134.3147 -205.7824 -191.1141 3.3499 7.6452 -4.2680
|XX|YY|ZZ|XY|XZ|YZ|
42.7557 -28.7120 -14.0437 3.3499 7.6452 -4.2680
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-261.3361 -140.0784 -3.4044 -1.3457 -118.9045 -30.6816 -25.7713 14.9630 2.4401 31.7784
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-13742.5846 -12182.2303 -869.5919 858.5137 -148.9421 -258.2725 -128.3321 24.6290 20.7222 -4411.2947 -2866.3584 -1915.5155 144.0595 46.8201 89.3563
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6.0093 18.5491 21.9195 24.8744 30.4015 36.9374 49.9692 55.3894 62.2436 69.5751 76.5224 83.7881 102.7924 110.4316 123.5608 136.1283 159.3671 173.1185 189.1904 210.8076 224.1993 239.8830 252.8133 281.2350 282.6950 303.3840 320.6587 333.6045 337.5083 369.1370 376.0913 393.9081 401.1232 439.6511 446.1596 458.7086 467.2039 479.7902 485.6191 541.8041 544.6678 582.7704 586.6514 595.0261 603.3592 633.2803 643.3865 648.9165 677.8400 693.2077 701.1964 709.3248 724.0945 753.4792 761.9079 777.0945 789.0568 807.7858 819.4680 856.3272 871.9496 888.0702 904.8438 921.8818 933.5095 947.1029 955.2353 965.0892 998.9076 1040.2307 1042.7712 1074.4934 1081.8028 1086.9429 1093.3519 1097.7210 1100.5068 1116.0174 1123.4852 1128.0092 1151.7905 1162.5604 1182.6588 1187.8439 1208.1744 1217.2517 1225.4738 1233.2817 1245.9826 1253.5302 1265.7689 1283.9161 1285.0601 1287.4355 1297.3380 1299.9276 1327.4902 1332.4086 1350.0031 1361.2280 1385.4941 1387.8499 1390.4439 1418.5074 1441.2282 1455.8433 1471.8869 1489.4614 1510.5307 1518.9160 1527.3024 1538.0865 1561.0404 1566.5606 1583.2164 1603.6036 1608.6225 1619.7028 1635.5180 1643.9424 1645.3893 1649.9872 1656.2010 1659.4316 1675.1134 1675.9845 1691.0150 1701.1370 1715.0225 1726.5587 1783.8943 1789.4149 1809.4814 1818.2495 1826.5021 1946.7797 1972.2195 3173.4959 3187.2693 3205.4821 3209.2456 3230.0035 3231.8246 3264.2629 3278.0104 3308.0154 3321.5224 3333.2179 3342.8492 3359.3651 3369.4021 3379.8062 3381.8190 3390.2476 3393.1559 3404.4460 3407.7845 3408.9802 3875.5171
5.3206 5.0020 5.3979 3.9774 4.5426 5.9842 4.4920 6.7640 4.1289 4.7907 7.9418 3.5887 2.6072 2.9980 4.1216 4.7470 4.0235 3.2190 3.7055 2.7465 3.4769 1.9732 5.9383 7.5480 3.8713 2.1530 3.7509 8.0283 9.4805 5.0253 4.0139 4.5996 3.5079 6.4927 6.5547 2.9320 3.0419 6.3141 7.5858 4.0386 2.0029 3.2013 2.3158 4.6628 4.8368 8.3738 5.4062 2.2363 6.4097 6.8672 6.6947 10.5926 6.8925 6.3625 5.4730 2.1768 5.9171 4.5149 4.4551 2.2570 10.2773 4.0236 4.8886 2.1273 1.2425 1.2565 1.6875 5.0239 2.5846 1.4431 4.3917 1.9669 2.4620 3.3940 5.3300 1.4099 1.3483 2.4861 1.4100 2.1901 3.6517 3.2373 1.6977 1.7230 2.9677 2.7345 1.9707 3.1038 1.4954 1.4023 3.1854 1.6303 2.0446 3.4483 1.1518 1.3025 2.3177 1.6042 1.5889 1.9087 5.4742 1.2791 3.8399 1.2453 1.4846 4.1766 1.3938 2.7572 3.0260 4.1675 1.3543 8.4420 1.5448 2.9628 1.5073 1.0987 1.4669 1.9334 1.1865 1.0481 1.0479 1.0858 1.0682 1.1381 2.0868 1.1141 5.1086 2.8849 2.0159 9.4477 7.0142 5.5904 5.3431 7.4852 7.8537 12.3126 9.9772 1.0470 1.0455 1.0402 1.0977 1.0920 1.0955 1.1043 1.0601 1.0995 1.0959 1.1078 1.0993 1.0870 1.0908 1.0943 1.0905 1.0978 1.0904 1.0960 1.0960 1.0965 1.0781
0.0001 0.0010 0.0015 0.0014 0.0025 0.0048 0.0066 0.0122 0.0094 0.0137 0.0274 0.0148 0.0162 0.0215 0.0371 0.0518 0.0602 0.0568 0.0781 0.0719 0.1030 0.0669 0.2236 0.3517 0.1823 0.1168 0.2272 0.5264 0.6363 0.4034 0.3345 0.4205 0.3325 0.7394 0.7688 0.3635 0.3912 0.8564 1.0540 0.6985 0.3501 0.6406 0.4696 0.9727 1.0374 1.9786 1.3185 0.5548 1.7352 1.9443 1.9394 3.1401 2.1292 2.1283 1.8719 0.7745 2.1706 1.7358 1.7627 0.9751 4.6038 1.8697 2.3582 1.0652 0.6379 0.6640 0.9072 2.7569 1.5195 0.9201 2.8136 1.3379 1.6976 2.3625 3.7540 1.0010 0.9621 1.8244 1.0486 1.6419 2.8543 2.5779 1.3990 1.4324 2.5523 2.3872 1.7437 2.7814 1.3678 1.2983 3.0069 1.5834 1.9893 3.3675 1.1421 1.2968 2.4064 1.6780 1.7062 2.0838 6.1913 1.4516 4.3740 1.4763 1.8169 5.2156 1.7791 3.6039 4.0680 5.6650 1.8613 11.7668 2.2180 4.2840 2.2260 1.6647 2.2364 2.9884 1.8699 1.6689 1.6714 1.7417 1.7263 1.8466 3.4500 1.8438 8.6069 4.9188 3.4935 16.5936 13.1513 10.5466 10.3075 14.5800 15.4370 27.4937 22.8649 6.2128 6.2578 6.2974 6.6610 6.7123 6.7412 6.9330 6.7114 7.0892 7.1234 7.2518 7.2378 7.2275 7.2962 7.3651 7.3484 7.4345 7.3969 7.4846 7.4991 7.5080 9.5400
0.7520 0.1183 1.6614 0.5423 0.8190 0.2186 1.3413 5.1649 0.3590 1.9072 1.4248 1.6223 3.9309 4.1674 2.3258 0.8492 0.3788 1.2830 1.1735 1.5105 1.0605 3.8506 1.3465 9.4830 6.5501 1.2433 1.3357 11.9351 1.8018 3.9705 6.4258 5.0642 42.0385 6.7767 2.9998 0.4199 0.1053 0.5037 6.5457 24.2700 52.4335 18.7654 69.1278 14.2787 23.6991 5.1710 1.0694 5.5863 0.4747 4.4223 3.0178 23.0150 29.0749 18.7126 7.6769 32.4323 40.0077 7.7448 24.5832 13.8491 4.0871 18.0631 9.3983 12.2596 1.0198 0.1258 75.9129 18.0562 1.8294 2.4776 26.2007 22.0415 47.5896 98.7797 0.5462 0.2168 3.6253 6.4026 1.5035 14.5201 59.3680 6.4721 2.4950 8.4662 16.2148 3.4730 64.5597 33.5762 88.9123 7.0546 123.9828 9.8129 20.3379 162.4535 0.7124 8.0451 47.1698 4.4661 93.0834 164.6450 33.6759 16.5252 142.4300 84.4235 34.7448 247.9392 26.8489 101.3988 17.1260 149.7079 7.8994 141.1171 36.6478 1.2424 35.2413 9.8028 98.9086 4.9335 6.3734 18.6694 3.7982 19.0430 4.0474 19.2098 230.2795 6.8854 926.0541 174.7336 398.1420 137.0265 19.2362 11.9687 16.3790 3.1463 131.3209 634.8801 201.3251 26.6937 100.2039 37.3747 10.8021 2.4122 174.1003 26.1596 24.7522 44.2888 10.3586 3.1186 19.2969 1.6203 6.3232 32.0665 11.4126 33.4295 4.9096 5.3229 5.1365 4.0888 54.0197
0.9767 1.6370 1.4070 1.2760 10.1036 2.6321 4.3031 0.8108 1.2594 2.4567 1.2653 0.7031 0.0918 0.6176 0.3709 0.7458 1.6307 1.4489 1.9594 0.9035 2.7966 0.6070 1.8717 2.2865 1.5261 1.0446 2.0622 1.1101 1.4196 4.8848 3.2809 1.8051 0.5248 2.2052 1.2702 0.8532 0.9576 0.8554 2.7013 2.1357 1.2232 0.7029 0.4583 0.4023 0.6068 2.7839 1.9450 0.7299 4.7839 7.8681 2.3933 1.9137 3.0618 15.2823 3.0095 1.4987 4.2818 2.2903 2.6254 1.3779 2.3335 10.8569 19.4592 4.3692 3.4389 3.3989 1.1048 3.1422 14.4899 2.4102 11.7600 5.5083 16.8246 18.3008 31.1998 2.8789 0.3659 0.8115 1.7007 5.6967 19.6941 7.9377 0.2974 4.2250 5.3744 1.9420 0.2742 12.0396 13.8600 12.5638 15.8903 6.0405 4.6649 8.3656 4.6726 6.4068 4.8164 2.7486 3.4763 3.0621 12.0287 5.0618 5.4083 12.9717 15.7317 30.8034 7.9379 18.9127 77.2998 27.0593 1.8239 225.3918 4.3312 11.3332 4.9212 16.2934 99.8109 3.2938 12.0037 16.9892 18.1858 9.4825 10.6937 30.8476 9.6221 13.1929 697.9363 34.5502 29.9206 65.1446 20.4738 8.3929 68.4693 58.0786 243.5856 9.4508 5.4866 5.5127 184.0251 93.6149 75.4488 47.5561 84.3043 50.7499 68.1256 87.4699 40.6828 37.8567 95.6425 35.9488 106.4192 62.3959 37.0797 218.6109 75.7421 109.7211 105.9736 143.2746 40.3309
0.7500 0.7496 0.7455 0.7348 0.7094 0.7386 0.7317 0.6786 0.7342 0.7256 0.7103 0.7136 0.5872 0.6969 0.5005 0.7419 0.4349 0.4811 0.6544 0.6642 0.6606 0.6731 0.5240 0.4226 0.2051 0.2128 0.4999 0.7403 0.7330 0.2483 0.6693 0.7450 0.3962 0.3279 0.7305 0.4786 0.5205 0.2032 0.2382 0.5552 0.7199 0.5495 0.7053 0.2891 0.7379 0.7393 0.2935 0.7300 0.7462 0.7064 0.7282 0.3710 0.4047 0.1198 0.7184 0.1972 0.2858 0.7256 0.7137 0.1351 0.5675 0.3231 0.0869 0.6620 0.4915 0.5440 0.4090 0.5356 0.2390 0.6057 0.2122 0.7494 0.0739 0.1245 0.1284 0.1517 0.2010 0.3515 0.3781 0.2291 0.2936 0.2689 0.6277 0.6683 0.4367 0.6695 0.6717 0.1612 0.3315 0.3054 0.1283 0.2093 0.6472 0.7132 0.4950 0.7174 0.6368 0.6713 0.6448 0.5935 0.5325 0.7445 0.1297 0.6503 0.7324 0.7358 0.7500 0.7482 0.4775 0.2060 0.5084 0.6244 0.7054 0.1662 0.4404 0.6626 0.3091 0.6821 0.6456 0.6720 0.7449 0.7156 0.7356 0.2822 0.4907 0.7444 0.2684 0.5808 0.2639 0.2435 0.5341 0.7379 0.4802 0.4135 0.2256 0.7461 0.4445 0.7448 0.0536 0.0365 0.5529 0.3176 0.4142 0.6510 0.0664 0.5305 0.4258 0.7475 0.5112 0.7500 0.7423 0.7311 0.6803 0.1239 0.5607 0.2418 0.1390 0.1546 0.1898
0.8571 0.8569 0.8542 0.8471 0.8300 0.8497 0.8451 0.8085 0.8467 0.8410 0.8306 0.8329 0.7399 0.8214 0.6671 0.8518 0.6062 0.6496 0.7911 0.7982 0.7956 0.8046 0.6877 0.5941 0.3404 0.3509 0.6666 0.8507 0.8459 0.3978 0.8019 0.8539 0.5675 0.4939 0.8442 0.6473 0.6846 0.3378 0.3848 0.7140 0.8372 0.7092 0.8272 0.4486 0.8492 0.8501 0.4539 0.8439 0.8546 0.8280 0.8427 0.5412 0.5762 0.2139 0.8361 0.3294 0.4446 0.8410 0.8330 0.2380 0.7241 0.4884 0.1598 0.7967 0.6591 0.7047 0.5805 0.6976 0.3858 0.7544 0.3501 0.8568 0.1376 0.2214 0.2275 0.2634 0.3347 0.5202 0.5487 0.3728 0.4539 0.4238 0.7713 0.8012 0.6079 0.8020 0.8036 0.2777 0.4979 0.4679 0.2273 0.3462 0.7858 0.8326 0.6622 0.8355 0.7781 0.8033 0.7841 0.7449 0.6949 0.8535 0.2297 0.7881 0.8455 0.8478 0.8571 0.8560 0.6463 0.3417 0.6741 0.7688 0.8273 0.2851 0.6115 0.7971 0.4722 0.8110 0.7846 0.8038 0.8538 0.8342 0.8477 0.4402 0.6584 0.8535 0.4232 0.7348 0.4175 0.3916 0.6963 0.8492 0.6488 0.5851 0.3682 0.8546 0.6155 0.8537 0.1018 0.0704 0.7121 0.4821 0.5858 0.7886 0.1245 0.6932 0.5973 0.8555 0.6766 0.8571 0.8521 0.8446 0.8097 0.2205 0.7185 0.3894 0.2441 0.2678 0.3191
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
6 7 6 6 6 6 6 6 6 7 6 6 16 6 7 7 6 8 6 6 8 7 6 6 8 6 6 6 6 6 6 6 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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
17641.7930 24245.0607 40083.5928
0.99979 0.02038 0.00090 -0.02038 0.99979 -0.00127 -0.00092 0.00125 1.00000
1
0.00491 0.00357 0.00216
0.10230 0.07444 0.04502
8.65 26.69 31.54 35.79 43.74 53.14 71.89 79.69 89.55 100.10 110.10 120.55 147.90 158.89 177.78 195.86 229.29 249.08 272.20 303.31 322.57 345.14 363.74 404.63 406.74 436.50 461.36 479.98 485.60 531.11 541.11 566.75 577.13 632.56 641.92 659.98 672.20 690.31 698.70 779.54 783.66 838.48 844.06 856.11 868.10 911.15 925.69 933.65 975.26 997.37 1008.87 1020.56 1041.81 1084.09 1096.22 1118.07 1135.28 1162.22 1179.03 1232.06 1254.54 1277.73 1301.87 1326.38 1343.11 1362.67 1374.37 1388.55 1437.21 1496.66 1500.32 1545.96 1556.47 1563.87 1573.09 1579.38 1583.38 1605.70 1616.44 1622.95 1657.17 1672.67 1701.58 1709.04 1738.29 1751.35 1763.18 1774.42 1792.69 1803.55 1821.16 1847.27 1848.91 1852.33 1866.58 1870.31 1909.96 1917.04 1942.35 1958.50 1993.42 1996.81 2000.54 2040.92 2073.61 2094.63 2117.72 2143.00 2173.32 2185.38 2197.45 2212.96 2245.99 2253.93 2277.90 2307.23 2314.45 2330.39 2353.15 2365.27 2367.35 2373.96 2382.90 2387.55 2410.11 2411.37 2432.99 2447.56 2467.53 2484.13 2566.63 2574.57 2603.44 2616.06 2627.93 2800.98 2837.58 4565.95 4585.77 4611.97 4617.39 4647.25 4649.87 4696.55 4716.33 4759.50 4778.93 4795.76 4809.61 4833.38 4847.82 4862.79 4865.68 4877.81 4881.99 4898.24 4903.04 4904.76 5576.00
0.460583
0.489223
0.490167
0.394248
-1877.083954
-1877.055314
-1877.054370
-1877.150289
3.217139D-04
MUNgauss
RevisionA2.0
retrievium
08-Jan-2021
DUDE CN(c1ccccc1)c2nc3c(s2)c(nn(c3=O)CC(=O)NCCOC)c4ccc(cc4)F C38491867
RHF
6-31G(d)
(6D,10F)
C1
467.142740
|X|Y|Z|
113.656035 94.209192 25.964679
65.266388
22
|36.858105|
|13.100946|53.358707|
|7.662506|18.114291|36.858105|
|6.233206|10.655409|13.748697|36.858105|
|4.374477|6.998298|7.936394|13.746326|36.858105|
|3.774643|6.168469|6.870674|7.938645|13.764657|36.858105|
|4.034825|6.990639|7.952202|6.886984|7.950847|13.740613|36.858105|
|5.350684|10.601494|13.742370|7.934887|6.870795|7.926261|13.770272|36.858105|
|7.815389|19.160785|7.892189|5.530826|4.091403|3.777100|4.332742|6.156449|36.858105|
|5.223707|11.086185|6.765132|4.976391|3.962852|3.826391|4.493523|6.148449|14.841638|53.358707|
|4.155577|7.452175|4.578185|3.712809|3.108974|3.024282|3.446611|4.320898|8.771558|19.031972|36.858105|
|4.232450|6.884350|3.964758|3.304546|2.750088|2.628485|2.930358|3.625040|7.804746|11.150088|14.096442|36.858105|
|6.375877|9.567080|4.705953|3.844186|3.040420|2.815820|3.110169|3.982165|10.780634|10.026236|7.547290|10.928202|388.023441|
|3.268231|4.990211|3.051896|2.656059|2.288991|2.206783|2.421433|2.865228|4.908987|7.075943|7.825939|13.211378|46.866242|36.858105|
|2.783221|4.301233|2.763560|2.439771|2.154763|2.106465|2.307344|2.664127|4.073926|6.280392|6.879103|8.117392|33.719682|14.958962|53.358707|
|2.764721|4.439192|2.952637|2.594207|2.316749|2.295485|2.536524|2.909269|4.214116|7.114156|8.059141|7.168126|30.879058|8.396365|19.267391|53.358707|
|3.175215|5.404531|3.643374|3.107257|2.746697|2.742297|3.095795|3.633572|5.345274|10.438642|13.001533|7.840019|34.441843|6.770421|10.647122|18.880330|36.858105|
|2.904307|4.966129|3.571330|3.089860|2.822655|2.891663|3.281647|3.714562|4.577810|8.903013|8.018676|5.362455|27.666299|4.751611|7.393681|11.542107|15.874493|73.516695|
|2.302047|3.622724|2.496604|2.243825|2.061148|2.069451|2.265869|2.511557|3.245226|5.317254|5.150056|4.652897|23.251509|5.386850|11.030145|17.984533|7.925411|12.663834|36.858105|
|2.157893|3.377343|2.355432|2.095881|1.949790|1.997616|2.221241|2.441576|2.958046|4.782172|4.378286|3.964621|20.909945|4.412255|7.998163|10.552360|6.162537|10.851378|12.468131|36.858105|
|2.260786|3.528466|2.429516|2.124801|1.963743|2.021420|2.280943|2.542008|3.102620|4.946241|4.524060|4.197100|22.219272|4.637269|7.940569|9.450304|5.888525|9.840290|7.975047|15.907152|73.516695|
|1.897736|2.938315|2.092786|1.895366|1.795564|1.852443|2.037830|2.184660|2.496812|3.969106|3.431490|3.118758|17.404771|3.388435|5.781859|7.113614|4.545691|8.631712|7.890206|14.104242|15.040648|53.358707|
|1.752166|2.687251|1.932422|1.751411|1.677262|1.750845|1.933636|2.047778|2.235447|3.487745|2.903752|2.666949|15.495114|2.835322|4.576359|5.311686|3.607962|6.891876|5.025009|7.778578|12.076555|17.920019|36.858105|
|1.546373|2.337845|1.687643|1.554066|1.499328|1.557816|1.693999|1.772581|1.916128|2.933932|2.405090|2.251263|13.396544|2.408363|3.829891|4.284021|2.894051|5.464197|3.978987|5.202348|8.131509|10.681638|12.581089|36.858105|
|1.510618|2.290913|1.670801|1.555085|1.511305|1.569160|1.689944|1.750092|1.868275|2.875442|2.333659|2.157515|12.902532|2.281508|3.620012|4.120135|2.827155|5.467370|3.853318|4.614407|6.906205|9.334605|8.073721|13.625739|73.516695|
|1.365420|2.047992|1.495584|1.406331|1.372969|1.419898|1.513267|1.556885|1.652510|2.505980|2.011840|1.886281|11.487571|1.996771|3.117600|3.452034|2.372146|4.516818|3.116936|3.521898|5.461154|6.370513|5.219986|8.114546|24.299421|36.858105|
|3.007640|4.311113|2.635628|2.344636|2.033438|1.947605|2.106938|2.456680|3.955800|5.290828|5.001950|7.395432|40.117044|12.791439|10.963637|7.157679|4.428280|6.163025|4.049468|3.510522|6.599423|3.869938|2.458215|2.152614|3.607395|1.812857|36.858105|
|2.570518|3.636364|2.289311|2.094176|1.842958|1.758664|1.871187|2.133603|3.206668|4.339314|3.939528|5.143432|29.991055|7.634665|8.881455|6.149626|3.719686|5.397917|3.768027|3.200993|5.782252|3.649930|2.311287|2.077341|3.513669|1.790822|13.688114|36.858105|
|2.329427|3.202366|2.033207|1.881456|1.668970|1.591784|1.681776|1.898258|2.722349|3.609409|3.116943|3.892019|25.011898|5.050196|6.096226|4.652740|2.939740|4.431768|3.000946|2.661091|4.841748|3.131999|2.036478|1.864767|3.149618|1.629253|7.893998|13.782119|36.858105|
|2.386006|3.208193|2.019005|1.856741|1.643607|1.570595|1.666199|1.888270|2.686500|3.478340|2.931743|3.672645|25.140323|4.484677|5.231929|4.125560|2.698827|4.105654|2.656141|2.441070|4.552430|2.883942|1.914935|1.748964|2.932368|1.518550|6.905527|8.020791|13.814069|36.858105|
|2.711509|3.625474|2.235111|2.016909|1.768360|1.695072|1.819593|2.092740|3.064415|3.890852|3.276147|4.241040|30.026817|5.034243|5.533015|4.364805|2.917977|4.390737|2.735641|2.558990|4.898179|2.977965|1.989808|1.788514|2.978272|1.528406|7.888706|6.868673|7.901463|13.839201|36.858105|
|3.111595|4.292389|2.588740|2.285483|1.979176|1.900649|2.066131|2.420581|3.809777|4.855444|4.277864|6.043608|40.023961|7.592293|7.379369|5.533995|3.678611|5.327504|3.282985|3.029862|5.880771|3.414690|2.244662|1.974416|3.282329|1.660405|13.702009|7.954651|6.872097|8.022938|13.753937|36.858105|
|2.122879|2.816268|1.798877|1.673615|1.495992|1.430701|1.507374|1.688719|2.297605|2.970675|2.439170|2.936249|20.671979|3.416153|4.144924|3.415220|2.271408|3.536549|2.260859|2.110049|3.916424|2.547327|1.716408|1.590021|2.671936|1.398819|4.660759|5.313910|8.168011|14.337719|8.172521|5.312806|97.533100|
|17.539780|12.244722|6.090308|5.675011|4.052585|3.395855|3.480805|4.352961|6.744565|6.437615|3.948357|4.143952|44.666209|3.266968|3.765837|3.689843|3.051704|4.923587|2.258918|2.082027|3.831762|2.499825|1.683775|1.497834|2.613154|1.335130|3.066436|2.668366|2.429629|2.472636|2.767675|3.134921|4.957603|0.500000|
|17.567111|12.355329|5.813620|4.693227|3.583171|3.249136|3.560665|4.643885|7.018744|6.553186|4.056322|4.332939|48.682018|3.387441|3.859348|3.752092|3.103147|4.975587|2.291729|2.174239|4.112381|2.587714|1.764803|1.554445|2.674354|1.359269|3.192760|2.677760|2.447985|2.564146|2.992460|3.439210|5.121490|0.299977|0.500000|
|17.666147|12.552422|7.572737|6.719644|4.818547|4.100988|4.273188|5.439549|5.763075|5.891080|3.478467|3.452437|33.432027|2.771840|3.300610|3.315126|2.784193|4.650519|2.076447|1.969688|3.658812|2.391219|1.639501|1.456126|2.536224|1.295504|2.573356|2.244174|2.061531|2.114629|2.374581|2.664249|4.302458|0.300716|0.302401|0.500000|
|6.550537|9.806966|8.923461|17.715348|8.906430|5.644902|4.959230|5.646498|5.276747|6.215619|3.556834|3.280116|27.895627|2.658492|3.290424|3.437939|2.959458|5.126868|2.178022|2.007824|3.601470|2.470406|1.668150|1.490699|2.654465|1.357464|2.383656|2.149238|1.939902|1.911208|2.062661|2.319574|3.883395|0.185396|0.132655|0.191710|0.500000|
|3.772163|5.680389|5.649114|8.929435|17.718620|8.910587|5.647855|4.950975|3.451329|4.552335|2.731275|2.460393|19.219736|2.090628|2.693200|2.876279|2.455756|4.481733|1.902176|1.792540|3.187309|2.267179|1.557756|1.406957|2.533922|1.304718|1.881461|1.729102|1.577926|1.550435|1.652179|1.828079|3.197616|0.101228|0.087231|0.115341|0.215241|0.500000|
|3.127891|4.912186|4.950964|5.644967|8.915219|17.719553|8.907659|5.641528|3.124480|4.354959|2.629850|2.309014|17.302840|1.981495|2.603476|2.836709|2.449465|4.638365|1.913364|1.859584|3.328704|2.379634|1.666340|1.495776|2.692479|1.378531|1.763917|1.609416|1.466043|1.445139|1.549053|1.720910|2.981437|0.079753|0.076632|0.094080|0.124095|0.214616|0.500000|
|3.397340|5.670747|5.657245|4.959704|5.650563|8.909027|17.722682|8.946258|3.713623|5.368215|3.164655|2.699194|19.840527|2.277377|2.994788|3.309808|2.939491|5.640550|2.212644|2.214326|4.059065|2.795060|1.977874|1.730717|3.065234|1.541770|1.987455|1.770583|1.596865|1.584165|1.727898|1.953777|3.236168|0.082314|0.086461|0.098931|0.107638|0.124109|0.214680|0.500000|
|5.029558|9.745612|8.935139|5.651851|4.953796|5.639020|8.906402|17.754302|6.364496|8.930728|4.695230|3.908457|29.849403|3.070096|3.880489|4.246055|3.927850|7.081272|2.675240|2.655074|5.021653|3.194640|2.213023|1.889136|3.277019|1.627048|2.606452|2.227015|1.973203|1.973889|2.214327|2.590990|3.950845|0.112565|0.130236|0.136226|0.124334|0.107540|0.124030|0.215227|0.500000|
|2.141940|3.292571|2.251906|2.050414|1.884461|1.875943|2.029040|2.237507|2.907928|4.573081|4.325107|4.209497|21.645876|5.215350|10.884956|12.679609|5.815572|9.148974|17.631417|8.929481|11.515099|9.219511|4.554216|3.857486|6.608588|3.102279|4.187872|4.121993|3.269774|2.817224|2.824772|3.326587|5.390567|0.059044|0.059554|0.053748|0.055946|0.048765|0.048414|0.054923|0.065666|0.500000|
|2.234625|3.540817|2.497329|2.277946|2.116993|2.128859|2.308088|2.516852|3.119900|5.178336|4.765348|4.119948|21.522555|4.457897|8.176084|12.543364|7.338069|13.685800|17.638947|8.822784|10.636913|10.016219|4.775268|3.913034|7.175200|3.257930|3.453765|3.279739|2.672315|2.373335|2.425600|2.855944|4.615458|0.061126|0.060875|0.056452|0.061304|0.054515|0.054970|0.062624|0.073320|0.300431|0.500000|
|1.840727|2.851115|2.049582|1.879620|1.791577|1.842819|2.004592|2.127450|2.406788|3.833692|3.272368|2.948341|16.620086|3.171603|5.375373|6.686160|4.346788|8.509960|7.536200|9.392115|10.882346|26.049777|9.145156|7.250764|13.824616|5.196389|2.672074|2.565132|2.206200|2.014076|2.057289|2.340869|4.022776|0.049805|0.050761|0.047476|0.050143|0.046432|0.048530|0.055950|0.062617|0.183870|0.229702|0.500000|
|1.773379|2.740802|2.000237|1.809717|1.748666|1.847883|2.054301|2.153171|2.260037|3.553973|2.888693|2.594798|15.292176|2.673894|4.213842|4.971521|3.569683|7.101743|4.476459|6.449895|10.521502|12.381301|17.544816|8.913047|12.853098|4.822438|2.303394|2.145593|1.895859|1.796746|1.880460|2.123999|3.634401|0.047032|0.049386|0.046369|0.047460|0.044972|0.049046|0.059042|0.064817|0.109102|0.123106|0.208796|0.500000|
|1.774288|2.703548|1.923885|1.730222|1.647075|1.717770|1.908582|2.039702|2.252264|3.471705|2.903058|2.719559|15.845972|2.918387|4.659144|5.216901|3.511531|6.467977|4.691133|7.402798|13.690035|12.595393|17.642202|8.894390|10.268578|4.263004|2.559906|2.381345|2.108899|2.004326|2.100987|2.370557|4.038369|0.047179|0.050144|0.046033|0.045802|0.042380|0.045251|0.054235|0.061843|0.120379|0.117407|0.180645|0.301957|0.500000|
|1.466907|2.205437|1.599212|1.474390|1.430169|1.493718|1.625296|1.689802|1.788346|2.712741|2.188704|2.056777|12.469083|2.175739|3.382282|3.725604|2.570651|4.848329|3.304764|4.214444|7.009867|7.698237|8.887870|17.493564|16.521230|7.229028|1.968183|1.893447|1.720049|1.631592|1.674753|1.834177|3.363933|0.039344|0.041057|0.038593|0.039200|0.037321|0.040027|0.046441|0.050094|0.088795|0.090114|0.145188|0.216113|0.212931|0.500000|
|1.511840|2.267291|1.620957|1.495924|1.435096|1.478726|1.600541|1.684802|1.863237|2.825033|2.339050|2.233486|13.265266|2.440672|3.908052|4.249538|2.786566|5.115169|3.963203|5.020096|7.884861|9.608825|8.868995|17.501417|16.544371|7.294395|2.215734|2.167721|1.955430|1.823894|1.847744|2.024849|3.737546|0.040887|0.042370|0.039425|0.040125|0.037509|0.039349|0.045108|0.049763|0.112080|0.105492|0.180333|0.174012|0.214770|0.300110|0.500000|
|1.344473|2.018617|1.483466|1.405218|1.378835|1.424699|1.507809|1.541045|1.621907|2.462288|1.961419|1.828427|11.194330|1.919483|2.981379|3.320687|2.308708|4.438431|2.970519|3.228578|4.978555|5.658138|4.365751|5.853293|16.886608|17.621092|1.739299|1.724132|1.568356|1.457957|1.463688|1.588893|3.025917|0.036618|0.036973|0.035514|0.037713|0.036541|0.038567|0.042620|0.044407|0.081733|0.088585|0.133080|0.116859|0.100010|0.146944|0.147638|0.500000|
|1.302833|1.946212|1.425345|1.340307|1.313704|1.364668|1.455923|1.491199|1.558940|2.348807|1.867138|1.755644|10.820560|1.845573|2.841332|3.115953|2.168057|4.119712|2.738017|3.127518|5.018858|5.456210|4.731991|7.203519|16.472249|17.512958|1.687962|1.660055|1.522543|1.432264|1.447006|1.564272|2.984515|0.035284|0.036110|0.034484|0.035864|0.034695|0.036937|0.041429|0.043363|0.075213|0.078414|0.117779|0.125965|0.111933|0.214762|0.176203|0.299850|0.500000|
|1.337233|1.993542|1.444420|1.359769|1.320649|1.356441|1.441663|1.491675|1.612340|2.428008|1.964275|1.867397|11.359293|2.005174|3.142565|3.416279|2.301372|4.296122|3.091769|3.432578|5.332687|6.053822|4.746559|7.203416|16.462370|17.509373|1.841257|1.840113|1.682043|1.560175|1.557534|1.681636|3.241765|0.036471|0.037081|0.035155|0.036656|0.034925|0.036486|0.040574|0.043264|0.088197|0.088308|0.135039|0.116164|0.112537|0.174238|0.217064|0.299639|0.299532|0.500000|
|2.435043|3.501223|2.244401|2.073954|1.838186|1.753931|1.855234|2.096012|3.085805|4.295054|3.933479|4.864999|27.343607|7.095369|9.511962|6.672248|3.889810|5.670819|4.179151|3.380430|5.881418|3.876936|2.403694|2.173946|3.720320|1.896687|8.929120|17.748164|8.944291|5.685552|4.952162|5.658427|9.616862|0.070402|0.069103|0.059474|0.059130|0.048100|0.044739|0.048795|0.060327|0.131796|0.101807|0.076870|0.061650|0.067752|0.054473|0.063230|0.050961|0.048384|0.054344|0.500000|
|2.097640|2.879355|1.857801|1.741380|1.559199|1.486513|1.558071|1.738372|2.409025|3.218862|2.736200|3.283596|21.293276|4.102748|5.225441|4.154535|2.635251|4.053439|2.770436|2.455213|4.394214|2.950590|1.924500|1.790074|3.044301|1.591283|5.612354|8.862859|17.743324|8.958839|5.645657|4.953850|16.717299|0.061026|0.060582|0.052172|0.050002|0.041248|0.038263|0.041189|0.049844|0.084962|0.069641|0.058329|0.049686|0.054984|0.045898|0.052425|0.042685|0.041272|0.045910|0.213504|0.500000|
|2.649159|3.471822|2.149598|1.940941|1.708665|1.642664|1.764260|2.022858|2.859208|3.587879|2.931612|3.666160|27.258957|4.089407|4.627630|3.808436|2.608716|3.999917|2.426604|2.319923|4.473846|2.734884|1.858070|1.676960|2.787069|1.436328|5.611141|4.952252|5.643820|8.963329|17.745330|8.854820|16.710841|0.074489|0.082548|0.065166|0.055020|0.044385|0.041793|0.046683|0.059568|0.068879|0.060387|0.052432|0.049096|0.054719|0.044016|0.047964|0.038194|0.038025|0.040564|0.107553|0.124627|0.500000|
|3.448630|4.763311|2.821959|2.434924|2.095516|2.025782|2.234336|2.659061|4.252353|5.303128|4.577496|6.438687|45.592631|6.995593|6.859247|5.451513|3.795932|5.515260|3.208058|3.047310|6.071660|3.419145|2.276416|1.978752|3.275122|1.647818|8.893872|5.647374|4.952839|5.695237|8.968818|17.728883|9.631320|0.093735|0.109227|0.081354|0.067873|0.053225|0.050644|0.058727|0.080477|0.087609|0.077813|0.064599|0.060494|0.067235|0.051384|0.055791|0.043746|0.043343|0.046004|0.124199|0.107563|0.214514|0.500000|
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