Version2.2
2021-02-14T16:02:51Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
07-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1cc(oc1)C(=O)Nc2ccc(cc2)NC(=S)NC(=O)c3ccc(o3)c4ccc(cc4)Cl C59717328
RHF
6-31G(d)
(6D,7F)
c1cc(oc1)C(=O)Nc2ccc(cc2)NC(=S)NC(=O)c3ccc(o3)c4ccc(cc4)Cl
C01[X(C23H16Cl1N3O4S1)]
138
C1
520
S=C(NC(=O)c1ccc(o1)c1ccc(cc1)Cl)Nc1ccc(cc1)NC(=O)c1ccco1
S=C(NC(=O)c1ccc(o1)c1ccc(cc1)Cl)Nc1ccc(cc1)NC(=O)c1ccco1
Clc1ccc(cc1)c2oc(cc2)C(=O)NC(=S)Nc3ccc(NC(=O)c4occc4)cc3
InChIKey=BFKJRJPYSYSLFU-UHFFFAOYSA-N
InChI=1S/C23H16ClN3O4S/c24-15-5-3-14(4-6-15)18-11-12-20(31-18)22(29)27-23(32)26-17-9-7-16(8-10-17)25-21(28)19-2-1-13-30-19/h1-13H,(H,25,28)(H2,26,27,29,32)
InChI=1/C23H16ClN3O4S/c24-15-5-3-14(4-6-15)18-11-12-20(31-18)22(29)27-23(32)26-17-9-7-16(8-10-17)25-21(28)19-2-1-13-30-19/h1-13H,(H,25,28)(H2,26,27,29,32)/f/h25-27H
c1cc(oc1)C(=O)Nc2ccc(cc2)NC(=S)NC(=O)c3ccc(o3)c4ccc(cc4)Cl
C01[X(C23H16Cl1N3O4S1)]
138
C01
520
S=C(NC(=O)c1ccc(o1)c1ccc(cc1)Cl)Nc1ccc(cc1)NC(=O)c1ccco1
S=C(N[C]1[CH][CH][C]([CH][CH]1)NC(=O)C1=[CH][CH]=CO1)NC(=O)C1=[CH][CH]=C(O1)[C]1[CH][CH][C]([CH][CH]1)Cl
Cl[C]1[CH][CH][C]([CH][CH]1)c2oc(cc2)C(=O)NC(=S)N[C]3[CH][CH][C]([CH][CH]3)NC(=O)c4occc4
InChIKey=BFKJRJPYSYSLFU-UHFFFAOYSA-N
InChI=1S/C23H16ClN3O4S/c24-15-5-3-14(4-6-15)18-11-12-20(31-18)22(29)27-23(32)26-17-9-7-16(8-10-17)25-21(28)19-2-1-13-30-19/h1-13H,(H,25,28)(H2,26,27,29,32)
InChI=1/C23H16ClN3O4S/c24-15-5-3-14(4-6-15)18-11-12-20(31-18)22(29)27-23(32)26-17-9-7-16(8-10-17)25-21(28)19-2-1-13-30-19/h1-13H,(H,25,28)(H2,26,27,29,32)/f/h25-27H
2991.8098377260
-2200.0737446
1-A
33221.2682
120
400
520
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10.00228
0.3466 -3.0937 -4.5970
5.5519
|XX|YY|ZZ|XY|XZ|YZ|
-111.2905 -230.0046 -200.2009 -9.2179 -9.1777 -10.4905
|XX|YY|ZZ|XY|XZ|YZ|
69.2082 -49.5060 -19.7022 -9.2179 -9.1777 -10.4905
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
528.1704 -85.1190 -8.2431 44.1987 117.6249 -133.6064 18.4218 0.1275 -18.7335 -15.5775
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-27922.9170 -6826.8254 -566.4357 -1573.0097 -277.1592 -207.7004 -104.5246 -28.5201 -28.6719 -7470.0456 -6614.3596 -1161.6621 -164.4899 -5.2534 46.7698
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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
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8.8762 11.5695 16.7358 26.9703 28.0013 35.2593 37.1461 49.2871 63.1046 76.1491 90.2277 95.1074 107.0484 126.2092 155.1947 169.4365 199.7965 213.3380 238.9360 244.0721 256.5801 278.0026 312.1437 347.3650 363.5436 369.8516 390.7821 399.0798 423.9465 450.1433 455.1423 467.2459 470.1054 532.3482 536.6844 565.9958 569.6268 574.4539 588.0536 606.0060 623.1492 653.6808 654.8214 673.1420 687.5993 693.8049 705.5048 718.4941 751.1356 772.1563 799.9280 804.8579 819.3548 837.7636 838.2427 873.0664 879.9174 916.5644 924.5610 934.1843 942.3373 952.4316 955.4260 968.2029 970.9303 977.8029 987.0654 1016.8338 1025.2064 1031.1277 1041.0787 1078.4230 1082.0760 1089.4446 1101.6044 1102.8664 1106.2175 1111.1196 1116.2156 1118.4652 1175.8947 1200.9243 1203.3638 1205.5183 1211.7306 1221.8653 1233.4145 1272.2316 1274.3783 1299.3226 1302.9253 1307.6168 1331.9826 1361.1638 1372.9615 1376.2706 1379.1372 1384.3594 1398.6550 1419.7363 1449.2670 1458.7535 1461.0426 1508.7893 1552.4782 1568.2916 1568.7429 1658.1027 1669.5228 1676.7704 1699.4872 1716.3741 1728.0196 1748.0180 1766.9330 1795.8251 1805.2644 1814.6484 1822.3038 1825.1538 1953.5581 2015.8446 3356.7924 3380.6296 3383.8473 3394.0800 3397.8138 3406.6215 3410.4207 3447.0821 3450.3588 3466.7690 3469.5027 3469.9641 3485.0173 3830.3902 3854.4438 3875.5582
5.6789 10.5662 5.7111 5.3916 6.7200 4.5435 7.3410 9.2022 7.7309 6.1271 7.4436 6.1486 7.8338 7.1999 9.6942 7.1123 10.0936 7.8143 7.8652 6.9978 6.2492 13.8203 6.9993 5.5392 7.8326 7.7915 5.6826 4.3856 1.3719 6.0292 2.9634 3.3942 3.8254 7.8017 6.0515 3.0419 3.0342 1.4426 3.7541 6.5555 1.1741 2.7870 4.7948 5.5619 6.4399 7.1000 6.9830 5.6215 4.7081 5.3453 3.4929 7.0296 4.6153 6.5548 6.6513 1.2444 5.2521 3.2524 1.3150 1.4920 1.2855 1.6128 6.0281 3.7072 6.2198 2.4263 1.3588 6.5285 1.4445 1.4223 4.2574 3.8793 1.6002 1.3686 1.3729 1.4551 1.3473 3.3937 2.2667 1.7237 4.2294 2.0134 2.1180 2.3239 2.6671 4.0370 3.4274 3.4548 2.6685 1.9637 1.2497 1.1596 2.9264 1.9021 2.8514 4.3287 2.0109 5.1208 3.6613 2.2718 1.3349 2.3501 2.1804 3.0539 2.5558 2.8335 2.9418 2.4909 3.4870 1.8615 2.4228 4.0761 2.4940 1.9383 5.3069 4.2253 5.3694 4.9320 6.0463 5.1594 9.1476 10.5719 1.0910 1.0929 1.0904 1.0901 1.0955 1.0960 1.0964 1.0932 1.0969 1.0937 1.0998 1.1017 1.1067 1.0772 1.0771 1.0781
0.0003 0.0008 0.0009 0.0023 0.0031 0.0033 0.0060 0.0132 0.0181 0.0209 0.0357 0.0328 0.0529 0.0676 0.1376 0.1203 0.2374 0.2095 0.2646 0.2456 0.2424 0.6293 0.4018 0.3938 0.6099 0.6280 0.5113 0.4115 0.1453 0.7198 0.3617 0.4366 0.4981 1.3027 1.0270 0.5741 0.5801 0.2805 0.7649 1.4184 0.2686 0.7016 1.2113 1.4849 1.7939 2.0137 2.0478 1.7098 1.5651 1.8777 1.3168 2.6830 1.8256 2.7105 2.7536 0.5589 2.3959 1.6098 0.6623 0.7672 0.6725 0.8620 3.2421 2.0475 3.4547 1.3668 0.7800 3.9771 0.8945 0.8909 2.7187 2.6582 1.1039 0.9571 0.9816 1.0428 0.9714 2.4686 1.6640 1.2705 3.4456 1.7108 1.8071 1.9899 2.3073 3.5510 3.0721 3.2946 2.5534 1.9533 1.2500 1.1682 3.0590 2.0764 3.1668 4.8308 2.2535 5.7821 4.2200 2.6980 1.6520 2.9465 2.7423 4.0960 3.6293 4.1060 4.2655 4.0349 5.7265 3.0836 4.1230 7.0749 4.3878 3.4896 9.7617 8.0286 10.3100 9.5689 11.8299 10.1263 20.5688 25.3115 7.2431 7.3594 7.3560 7.3985 7.4516 7.4938 7.5132 7.6533 7.6937 7.7444 7.8004 7.8156 7.9196 9.3116 9.4281 9.5402
1.4732 0.6594 0.5415 2.2592 4.1862 0.5607 1.3507 0.3967 4.0561 1.7017 2.3190 1.6167 3.7249 2.0489 0.5862 1.4112 2.0248 4.1034 1.3009 5.6253 4.2179 2.8689 1.2946 11.9378 10.7724 13.3479 4.7640 5.3250 60.6780 4.1986 0.1913 0.0263 17.8996 7.4895 2.8452 2.9903 27.3356 129.2700 5.2076 3.2778 101.9654 4.1260 2.0593 10.1582 18.6826 1.1137 4.6441 24.6906 12.4213 37.6916 3.2408 10.7886 33.8628 41.5290 22.1907 64.8667 9.1608 11.9316 63.6809 9.7768 8.6567 32.7318 68.8323 29.5669 20.3188 42.9212 3.1906 20.1232 2.6144 1.3293 19.9323 23.6163 1.0248 0.5086 0.9372 43.5075 2.2528 17.2236 41.4105 28.0272 25.5413 3.0897 17.6647 15.4973 71.8011 60.3344 2.0450 5.0077 16.0997 45.6678 51.5344 2.1619 504.1091 107.0948 169.1138 75.5282 31.1909 251.5188 111.3494 252.0740 2.4626 279.5805 312.7550 6.7435 7.7586 156.2398 9.9269 204.9763 47.5540 144.7580 697.2826 60.1120 861.2341 80.0387 37.3834 31.6412 70.5695 272.3216 72.6823 0.4887 296.2550 418.0880 21.3632 12.2677 6.6362 3.7743 6.8773 6.4584 2.6627 3.2441 5.3999 2.8708 0.2021 0.3997 2.1259 32.9549 72.8509 53.9887
6.5391 2.5999 2.1160 10.6306 2.0362 3.1361 0.2097 1.6054 1.1369 2.1503 1.5080 1.8093 2.3237 0.1463 1.2170 0.5220 3.6765 1.6371 3.3791 0.3666 1.7812 1.4367 0.7082 1.9277 0.8971 0.2763 2.8941 6.1014 2.4640 2.0019 0.9647 0.4225 2.1129 2.4768 4.9945 1.1952 1.8826 6.3873 6.9783 1.1500 1.8811 0.5894 3.7601 2.9287 3.3410 6.8187 5.7604 1.4492 2.7590 13.2597 5.9974 13.5134 10.8848 2.7164 6.7356 1.5059 8.1275 5.4426 2.5599 2.7984 3.5679 1.9022 3.7646 4.4850 11.1035 14.1307 2.0313 22.1636 16.1199 6.2481 2.7559 11.2675 8.9313 5.7236 0.6435 16.3806 2.3335 1.0623 58.3114 142.2388 35.2119 6.5420 2.6651 14.3196 19.2620 12.2472 11.4947 5.7466 4.3446 7.7273 30.9946 52.8715 40.3679 16.2369 11.4937 31.0078 4.8762 38.1529 49.2831 88.3410 2.0129 8.6766 34.8717 14.3244 44.1748 3.9110 37.0074 349.1083 299.2012 15.4164 9.0094 1284.8601 82.3544 117.4350 147.2232 31.8374 705.7399 384.1477 489.3090 45.7487 165.0001 150.7308 66.6445 81.0599 34.2469 47.6947 86.1536 91.9774 133.3754 117.7991 79.3983 51.1846 45.1506 105.3199 137.4112 94.3120 94.0090 59.8518
0.7497 0.7497 0.7500 0.7252 0.7286 0.7063 0.6964 0.5856 0.7173 0.6810 0.7381 0.7436 0.6712 0.7324 0.4995 0.1931 0.5782 0.6963 0.7473 0.4426 0.3532 0.4213 0.7218 0.7312 0.6408 0.7360 0.7122 0.7186 0.6775 0.6370 0.4125 0.4437 0.6996 0.6320 0.2787 0.2997 0.4655 0.6109 0.6089 0.2075 0.5941 0.7498 0.7214 0.7430 0.7449 0.7482 0.6008 0.7500 0.7093 0.1412 0.7492 0.1058 0.1712 0.6840 0.6969 0.7495 0.0606 0.2340 0.4624 0.6566 0.5176 0.6842 0.2690 0.3124 0.6279 0.3089 0.7500 0.1432 0.7049 0.7494 0.1454 0.3180 0.5026 0.6886 0.7059 0.4380 0.6837 0.5070 0.3176 0.2885 0.3366 0.7000 0.6724 0.7197 0.1094 0.2792 0.7336 0.6261 0.3951 0.1409 0.3223 0.2018 0.5634 0.5284 0.4112 0.0710 0.4335 0.6764 0.6395 0.3279 0.2647 0.4483 0.1043 0.6845 0.4620 0.7314 0.4408 0.2888 0.2925 0.7403 0.7042 0.2775 0.7294 0.2388 0.2845 0.3942 0.3113 0.4009 0.5485 0.3325 0.2476 0.2151 0.4056 0.3541 0.6803 0.7373 0.2091 0.2488 0.1570 0.5711 0.5663 0.2165 0.2889 0.2203 0.1513 0.1569 0.1843 0.1602
0.8570 0.8570 0.8571 0.8407 0.8430 0.8279 0.8210 0.7387 0.8354 0.8102 0.8493 0.8530 0.8032 0.8456 0.6662 0.3237 0.7327 0.8210 0.8554 0.6136 0.5220 0.5928 0.8385 0.8448 0.7811 0.8479 0.8319 0.8363 0.8078 0.7783 0.5841 0.6147 0.8233 0.7745 0.4359 0.4612 0.6353 0.7585 0.7569 0.3437 0.7454 0.8570 0.8382 0.8525 0.8538 0.8560 0.7506 0.8571 0.8299 0.2474 0.8566 0.1913 0.2924 0.8123 0.8214 0.8568 0.1143 0.3793 0.6324 0.7927 0.6821 0.8125 0.4239 0.4760 0.7714 0.4720 0.8571 0.2506 0.8269 0.8568 0.2539 0.4826 0.6690 0.8156 0.8276 0.6092 0.8121 0.6728 0.4821 0.4478 0.5037 0.8236 0.8041 0.8370 0.1972 0.4365 0.8463 0.7701 0.5664 0.2469 0.4875 0.3359 0.7207 0.6915 0.5827 0.1326 0.6048 0.8070 0.7801 0.4939 0.4187 0.6190 0.1889 0.8127 0.6320 0.8449 0.6119 0.4481 0.4527 0.8508 0.8264 0.4345 0.8435 0.3856 0.4430 0.5655 0.4747 0.5723 0.7084 0.4991 0.3969 0.3540 0.5771 0.5230 0.8097 0.8488 0.3459 0.3985 0.2714 0.7270 0.7231 0.3559 0.4483 0.3611 0.2628 0.2713 0.3112 0.2761
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
6 6 6 8 6 6 8 7 6 6 6 6 6 6 7 6 16 7 6 8 6 6 6 6 8 6 6 6 6 6 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 31.97207 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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
9391.5373 54351.0021 62789.0753
0.99998 -0.00624 -0.00025 0.00624 0.99996 -0.00675 0.00030 0.00674 0.99998
1
0.00922 0.00159 0.00138
0.19217 0.03321 0.02874
12.77 16.65 24.08 38.80 40.29 50.73 53.44 70.91 90.79 109.56 129.82 136.84 154.02 181.59 223.29 243.78 287.46 306.95 343.78 351.17 369.16 399.98 449.11 499.78 523.06 532.13 562.25 574.19 609.96 647.66 654.85 672.26 676.38 765.93 772.17 814.34 819.57 826.51 846.08 871.91 896.57 940.50 942.14 968.50 989.30 998.23 1015.06 1033.75 1080.72 1110.96 1150.92 1158.01 1178.87 1205.35 1206.04 1256.15 1266.00 1318.73 1330.24 1344.08 1355.81 1370.34 1374.64 1393.03 1396.95 1406.84 1420.17 1463.00 1475.04 1483.56 1497.88 1551.61 1556.87 1567.47 1584.96 1586.78 1591.60 1598.65 1605.99 1609.22 1691.85 1727.86 1731.37 1734.47 1743.41 1757.99 1774.61 1830.46 1833.55 1869.44 1874.62 1881.37 1916.43 1958.41 1975.39 1980.15 1984.27 1991.78 2012.35 2042.68 2085.17 2098.82 2102.11 2170.81 2233.67 2256.42 2257.07 2385.64 2402.07 2412.50 2445.18 2469.48 2486.23 2515.01 2542.22 2583.79 2597.37 2610.87 2621.89 2625.99 2810.73 2900.35 4829.68 4863.97 4868.60 4883.32 4888.70 4901.37 4906.83 4959.58 4964.30 4987.91 4991.84 4992.50 5014.16 5511.08 5545.68 5576.06
0.379457
0.405520
0.406464
0.314759
-2199.694288
-2199.668225
-2199.667281
-2199.758986
3.075801D-04
MUNgauss
RevisionA2.1
retrievium
14-Feb-2021
DUDE c1cc(oc1)C(=O)Nc2ccc(cc2)NC(=S)NC(=O)c3ccc(o3)c4ccc(cc4)Cl C59717328
RHF
6-31G(d)
(6D,10F)
C1
465.055006
|X|Y|Z|
167.604761 68.670489 20.353215
61.644808
28
|36.858105|
|13.276646|36.858105|
|8.593465|14.199361|36.858105|
|8.621714|8.609157|14.079727|73.516695|
|14.200571|8.605545|8.795966|25.263721|36.858105|
|5.178502|7.445565|12.877108|13.838713|5.340920|36.858105|
|4.432102|6.462859|8.187685|9.594630|4.241257|15.882715|73.516695|
|4.205727|5.177848|7.996504|12.538935|4.733445|14.026911|14.877219|53.358707|
|3.214842|3.811010|5.081659|8.298358|3.518068|7.651452|11.533055|18.459470|36.858105|
|2.844450|3.425021|4.249575|6.611434|2.971989|6.288651|11.651202|10.519961|13.709953|36.858105|
|2.361462|2.742150|3.256034|5.285536|2.467741|4.321145|7.968765|6.989925|7.954397|13.748216|36.858105|
|2.187734|2.463137|2.921564|4.962691|2.333309|3.676553|6.411638|6.195270|6.845647|7.900948|13.795301|36.858105|
|2.343369|2.595785|3.154439|5.567984|2.570934|3.899992|6.394192|7.080194|7.905542|6.853727|7.978051|13.752377|36.858105|
|2.811969|3.149777|4.029995|7.195415|3.158071|5.165066|7.879451|10.874501|13.666373|7.929228|6.925174|7.961250|13.822372|36.858105|
|1.879957|2.083403|2.398459|4.108290|1.987695|2.892147|5.124829|4.620312|4.525585|5.135646|7.841397|13.343577|7.788058|5.142829|53.358707|
|1.727086|1.890902|2.149646|3.719745|1.825091|2.527916|4.465795|3.972138|3.698408|4.060468|5.547335|7.691316|5.839137|4.185566|19.218520|36.858105|
|1.757498|1.910446|2.174902|3.803070|1.868430|2.527251|4.403593|3.985983|3.622726|3.825538|4.785418|6.072485|5.347135|4.110414|9.755428|11.563183|388.023441|
|1.548281|1.684061|1.882949|3.257754|1.623469|2.175226|3.880331|3.330028|2.981343|3.268062|4.244904|5.254890|4.262360|3.283636|11.559742|13.730579|50.240215|53.358707|
|1.408379|1.514952|1.676866|2.926478|1.476269|1.899115|3.372867|2.875898|2.494836|2.666824|3.270975|3.881478|3.402197|2.741974|7.270090|7.609775|41.550461|18.717161|36.858105|
|1.383200|1.476279|1.634027|2.879913|1.457436|1.832050|3.221322|2.784549|2.387502|2.493219|2.975093|3.539631|3.255292|2.657114|6.200377|6.413050|42.609933|11.300671|16.059658|73.516695|
|1.297297|1.393513|1.525085|2.649622|1.349098|1.713935|3.072464|2.550100|2.172713|2.338381|2.811029|3.178641|2.796575|2.333318|5.658403|5.100660|29.101493|10.854244|12.882176|14.585953|36.858105|
|1.191232|1.270528|1.379898|2.407769|1.236819|1.531476|2.740370|2.260129|1.890615|2.009524|2.348018|2.607975|2.362974|2.021330|4.396732|3.813656|23.586664|7.029798|7.449326|11.480056|14.201144|36.858105|
|1.139648|1.217095|1.313052|2.279216|1.175971|1.454115|2.621421|2.122854|1.762312|1.886771|2.186697|2.370382|2.137052|1.856309|3.919032|3.228574|19.808452|5.727176|5.184088|7.886424|8.604436|13.322586|36.858105|
|1.201004|1.291658|1.395849|2.405315|1.235706|1.559529|2.831895|2.273337|1.903453|2.069757|2.434500|2.616742|2.303245|1.988944|4.402792|3.538966|20.734736|6.439397|5.320508|7.523618|8.738196|8.558079|14.110846|36.858105|
|1.306100|1.411690|1.539697|2.650243|1.349438|1.739671|3.153609|2.564725|2.187541|2.399200|2.905632|3.194100|2.740290|2.306085|5.678409|4.713830|25.836118|9.619207|7.769010|9.605675|14.057494|8.614712|8.637590|14.157447|73.516695|
|1.177733|1.270068|1.363681|2.334809|1.203737|1.521999|2.787889|2.193290|1.822287|1.997060|2.323237|2.429352|2.133468|1.873688|3.968739|3.039396|17.954405|5.187483|3.932832|5.778803|5.358522|5.173661|7.375982|12.983016|14.090948|36.858105|
|1.243124|1.351503|1.450304|2.459517|1.264178|1.632379|3.022827|2.337688|1.950853|2.179160|2.554083|2.605338|2.239798|1.974805|4.227397|3.137299|18.286686|5.205146|3.674827|5.368487|4.584251|4.108939|5.051638|7.661638|11.973202|13.693649|36.858105|
|1.203810|1.308947|1.393052|2.352925|1.216402|1.559167|2.905516|2.205558|1.816338|2.026561|2.322189|2.319028|2.018752|1.815713|3.625214|2.627768|15.720489|4.150006|2.910437|4.408881|3.442407|3.196864|3.834010|5.069228|8.057804|7.898686|13.773491|36.858105|
|1.112759|1.201294|1.271929|2.160250|1.124297|1.408085|2.609553|1.986866|1.617346|1.776330|2.000552|2.012208|1.789900|1.624196|3.102799|2.265171|13.841344|3.545891|2.558669|3.969028|3.036969|2.954868|3.629338|4.492138|6.761685|6.868580|7.978111|13.780569|36.858105|
|1.064403|1.142234|1.211326|2.072552|1.080329|1.334230|2.451910|1.894000|1.540011|1.671517|1.881031|1.924650|1.731613|1.564499|2.990291|2.222580|13.667737|3.531008|2.633579|4.115568|3.221896|3.273425|4.241661|5.075100|7.055451|7.897107|6.875056|7.918964|13.766575|36.858105|
|1.091868|1.170857|1.249147|2.145488|1.113964|1.380147|2.522920|1.977010|1.620617|1.755478|1.999804|2.080821|1.866470|1.663986|3.305172|2.507987|15.263277|4.118200|3.160793|4.863750|4.099342|4.273195|6.105957|7.678402|9.266051|13.683232|7.951709|6.878610|7.981311|13.789730|36.858105|
|1.063804|1.146750|1.203662|2.039148|1.068353|1.322644|2.460965|1.845786|1.482709|1.621969|1.790142|1.775325|1.597625|1.474655|2.664096|1.921248|11.972197|2.913489|2.086629|3.308229|2.381969|2.327473|2.735209|3.185072|5.045260|4.220400|4.774203|7.042434|10.946441|7.041694|4.776095|448.794386|
|17.807891|8.454915|5.851435|10.450688|8.825953|4.060805|6.512785|4.635340|2.726804|2.468160|2.094511|1.950558|2.070882|2.428674|2.316964|1.575858|11.400713|1.940591|1.305981|2.283165|1.210296|1.117322|1.072408|1.127427|2.167267|1.108484|1.168068|1.135629|1.054343|1.009277|1.032367|8.129894|0.500000|
|8.431897|17.820001|8.863990|10.449087|5.852999|6.498540|11.775481|6.134903|3.517340|3.324317|2.682901|2.370138|2.437528|2.885702|2.755301|1.838650|13.130442|2.244310|1.483035|2.556846|1.373144|1.252803|1.206348|1.284294|2.487843|1.270215|1.358790|1.323218|1.213167|1.148159|1.171852|9.341173|0.192373|0.500000|
|8.612969|5.818710|6.040208|16.526420|17.835346|4.265154|6.189755|5.516431|3.155693|2.664421|2.266950|2.187610|2.435581|2.952037|2.565677|1.745325|12.764406|2.121701|1.428108|2.521350|1.304972|1.201651|1.140363|1.192336|2.309000|1.158143|1.209202|1.162018|1.078538|1.041042|1.075093|8.223644|0.195334|0.123061|0.500000|
|4.408439|5.043837|7.810834|15.266794|5.369631|9.510688|10.873014|26.056550|9.329538|5.744616|4.295056|4.083810|4.928809|7.650751|4.272157|2.751961|19.926170|3.159138|2.032228|3.538671|1.798889|1.605465|1.502471|1.595867|3.187055|1.532739|1.618054|1.525275|1.384128|1.328235|1.389008|10.328896|0.098248|0.116857|0.130838|0.500000|
|2.978359|3.713238|4.492046|6.603384|3.012283|6.869139|15.057486|9.526620|8.909206|17.833007|8.924455|5.642178|4.950973|5.644345|5.683140|3.452931|23.398385|3.936004|2.407490|3.999936|2.156413|1.873323|1.779947|1.955001|3.972098|1.911887|2.104277|1.985501|1.741810|1.626244|1.690932|12.913867|0.071893|0.103439|0.073747|0.143238|0.500000|
|2.174910|2.523794|2.904658|4.670741|2.232714|3.746962|7.213916|5.652765|5.658025|8.946942|17.723493|8.960301|5.668931|4.979550|9.837869|5.413564|32.203419|5.958616|3.348177|5.290373|2.943224|2.441202|2.302213|2.606907|5.552443|2.518243|2.835755|2.575260|2.178029|2.021073|2.141871|15.571327|0.054246|0.069942|0.057037|0.098165|0.215855|0.500000|
|2.151216|2.329975|2.780784|5.032868|2.374376|3.283111|5.370561|5.743555|5.632229|4.943867|5.666736|8.927734|17.741018|8.941033|9.716953|5.914471|38.932508|5.996623|3.608289|6.285880|2.911100|2.469336|2.200792|2.340110|4.950822|2.135765|2.200505|1.969954|1.762528|1.725980|1.875986|12.568296|0.053337|0.060650|0.063618|0.116609|0.107522|0.124577|0.500000|
|2.918938|3.166004|4.073127|7.783667|3.394451|4.840612|7.091600|10.035779|8.888605|5.638998|4.977892|5.661488|8.965552|17.702747|5.676239|3.582565|25.717743|3.953963|2.503082|4.390596|2.146022|1.887780|1.732953|1.835571|3.736162|1.727867|1.801968|1.665107|1.506130|1.460235|1.550880|11.038216|0.069816|0.078787|0.090100|0.234867|0.124004|0.107955|0.216299|0.500000|
|1.802325|1.991706|2.272151|3.889499|1.897309|2.712257|4.837285|4.258981|4.047607|4.558326|6.525603|9.212281|6.370045|4.519066|26.005540|9.473641|38.320592|11.106082|5.227854|7.658310|4.314478|3.331791|3.031083|3.487351|8.054083|3.181311|3.413946|2.911413|2.474454|2.376818|2.630174|16.907200|0.045535|0.053968|0.050063|0.080694|0.106255|0.176159|0.168938|0.104839|0.500000|
|1.533327|1.675541|1.864578|3.199048|1.597362|2.161112|3.899691|3.270547|2.919896|3.267704|4.278599|5.058611|3.995190|3.141827|10.965568|9.377435|38.445528|26.020457|9.438699|10.863639|7.844000|5.065323|4.434819|5.397114|15.380288|4.448021|4.619314|3.567642|2.961450|2.906912|3.400675|19.162482|0.039279|0.045838|0.042446|0.062796|0.081325|0.127233|0.111467|0.076814|0.250855|0.500000|
|1.158223|1.228690|1.333305|2.340264|1.205795|1.469845|2.615051|2.171956|1.803918|1.894122|2.184781|2.434464|2.251525|1.939615|4.015998|3.507611|22.816444|6.110920|6.502048|11.742980|8.864277|17.817966|8.451817|5.832092|10.451309|4.051378|3.344718|2.718046|2.558078|2.826887|3.552003|16.662392|0.030222|0.033562|0.032672|0.043139|0.049027|0.062327|0.066000|0.050811|0.083043|0.117151|0.500000|
|1.071297|1.139813|1.223205|2.126373|1.103232|1.345002|2.424501|1.952166|1.603855|1.707540|1.949620|2.092282|1.910016|1.682095|3.374542|2.736717|17.250663|4.637648|4.067712|6.523472|5.861271|8.495768|17.811939|8.796300|10.458616|6.361785|4.419431|3.568714|3.554680|4.341238|6.215476|21.853881|0.028103|0.031419|0.029777|0.038495|0.045043|0.056820|0.054588|0.043931|0.072144|0.098722|0.193480|0.500000|
|1.327426|1.452119|1.567061|2.645583|1.350920|1.782761|3.314272|2.563446|2.167576|2.461438|2.952281|2.995635|2.507286|2.186316|4.964301|3.672866|20.832421|6.156035|4.135348|5.877383|4.984271|4.167387|4.748832|7.058411|13.440344|8.905744|17.750502|8.961503|5.673472|4.955742|5.650220|31.657586|0.034501|0.040557|0.035765|0.048947|0.065780|0.093031|0.067719|0.054752|0.111476|0.158463|0.094104|0.111582|0.500000|
|1.245797|1.362072|1.445647|2.423924|1.252554|1.624109|3.054286|2.279452|1.873851|2.113782|2.410652|2.355738|2.037119|1.848400|3.618003|2.573566|15.462841|3.953462|2.705532|4.128142|3.077721|2.816478|3.236596|4.121165|6.984868|5.627293|8.910823|17.750399|8.929251|5.642735|4.957514|53.817389|0.032641|0.038444|0.033100|0.043520|0.058157|0.075217|0.054562|0.046876|0.080421|0.094132|0.067643|0.083621|0.215712|0.500000|
|1.007601|1.076841|1.137772|1.951898|1.021982|1.245015|2.282732|1.762508|1.422146|1.531718|1.704984|1.744019|1.587543|1.445252|2.676406|1.988468|12.408158|3.113678|2.338679|3.723758|2.809293|2.910261|3.689877|4.126647|5.893728|5.626230|4.955761|5.643006|8.923349|17.751457|8.915307|53.813498|0.026617|0.030064|0.027419|0.034464|0.041486|0.050483|0.044084|0.037710|0.058735|0.070010|0.071587|0.108685|0.107617|0.124250|0.500000|
|1.049409|1.119740|1.194255|2.062409|1.073457|1.312344|2.385251|1.884480|1.538593|1.649536|1.867571|1.961210|1.782444|1.590855|3.104204|2.382541|14.708270|3.904347|3.088557|4.854072|4.031977|4.484239|6.674977|7.072904|8.496430|8.890107|5.646987|4.956423|5.675867|8.976329|17.733804|31.679022|0.027599|0.031043|0.028881|0.036982|0.043996|0.054936|0.050222|0.041472|0.068112|0.087358|0.105565|0.212596|0.124029|0.107627|0.216141|0.500000|
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