Version2.0
2020-07-18T00:33:56Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
22-Jun-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1cc(ccc1Cn2cnc3c(c2=O)cnn3CCNC(=O)[C@@H]4CC(=O)N(C4)c5ccc(cc5)Cl)F C12071788
RHF
6-31G(d)
(6D,7F)
c1cc(ccc1Cn2cnc3c(c2=O)cnn3CCNC(=O)[C@@H]4CC(=O)N(C4)c5ccc(cc5)Cl)F
C01[X(C25H22Cl1F1N6O3)]
168
C1
588
Fc1ccc(cc1)Cn1cnc2c(c1=O)cnn2CCNC(=O)[C@H]1CN(C(=O)C1)c1ccc(cc1)Cl
Fc1ccc(cc1)Cn1cnc2c(c1=O)cnn2CCNC(=O)[C@H]1CN(C(=O)C1)c1ccc(cc1)Cl
Fc1ccc(CN2C=Nc3n(CCNC(=O)[C@H]4CN(C(=O)C4)c5ccc(Cl)cc5)ncc3C2=O)cc1
InChIKey=ZXUWAGYKRXTOGN-QGZVFWFLSA-N
InChI=1S/C25H22ClFN6O3/c26-18-3-7-20(8-4-18)32-14-17(11-22(32)34)24(35)28-9-10-33-23-21(12-30-33)25(36)31(15-29-23)13-16-1-5-19(27)6-2-16/h1-8,12,15,17H,9-11,13-14H2,(H,28,35)/t17-/m1/s1
InChI=1/C25H22ClFN6O3/c26-18-3-7-20(8-4-18)32-14-17(11-22(32)34)24(35)28-9-10-33-23-21(12-30-33)25(36)31(15-29-23)13-16-1-5-19(27)6-2-16/h1-8,12,15,17H,9-11,13-14H2,(H,28,35)/t17-/m1/s1/f/h28H
c1cc(ccc1Cn2cnc3c(c2=O)cnn3CCNC(=O)[C@@H]4CC(=O)N(C4)c5ccc(cc5)Cl)F
C01[X(C25H22Cl1F1N6O3)]
168
C01
588
Fc1ccc(cc1)Cn1cnc2c(c1=O)cnn2CCNC(=O)[C@H]1CN(C(=O)C1)c1ccc(cc1)Cl
F[C]1[CH][CH][C]([CH][CH]1)CN1C=[N][C]2[C]([CH][N][N]2CCNC(=O)[C@H]2CN(C(=O)C2)[C]2[CH][CH][C]([CH][CH]2)Cl)C1=O
F[C]1[CH][CH][C]([CH][CH]1)CN2C=N[C]3[C]([CH][N]N3CCNC(=O)[C@H]4CN([C]5[CH][CH][C](Cl)[CH][CH]5)C(=O)C4)C2=O
InChIKey=ZXUWAGYKRXTOGN-QGZVFWFLSA-N
InChI=1S/C25H22ClFN6O3/c26-18-3-7-20(8-4-18)32-14-17(11-22(32)34)24(35)28-9-10-33-23-21(12-30-33)25(36)31(15-29-23)13-16-1-5-19(27)6-2-16/h1-8,12,15,17H,9-11,13-14H2,(H,28,35)/t17-/m1/s1
InChI=1/C25H22ClFN6O3/c26-18-3-7-20(8-4-18)32-14-17(11-22(32)34)24(35)28-9-10-33-23-21(12-30-33)25(36)31(15-29-23)13-16-1-5-19(27)6-2-16/h1-8,12,15,17H,9-11,13-14H2,(H,28,35)/t17-/m1/s1/f/h28H
3614.2090200997
-2069.774879
1-A
33285.5152
132
456
588
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11.39005
0.0429 -2.6840 -2.6130
3.7461
|XX|YY|ZZ|XY|XZ|YZ|
-250.7360 -210.7776 -205.8107 -28.1908 -32.2605 21.0358
|XX|YY|ZZ|XY|XZ|YZ|
-28.2946 11.6638 16.6307 -28.1908 -32.2605 21.0358
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-50.4901 -73.1108 -14.2248 23.0122 -73.7445 -135.8447 9.7020 7.0573 -23.0175 -21.1167
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-37553.3345 -8406.6050 -1803.0809 -704.8622 -725.0361 -514.4565 162.5846 -38.3328 46.4084 -7832.3017 -5845.8188 -1737.7134 449.3511 -303.6062 91.8330
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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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168
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5.0131 7.5902 13.7215 21.7797 24.5639 31.5155 38.0823 39.0779 53.1028 57.7724 69.8886 92.9504 105.7423 108.9758 137.8670 163.0925 169.5908 205.9028 217.2375 227.8239 256.2885 266.4711 276.0843 290.4969 293.1997 314.9629 325.9650 370.7057 372.9286 377.4507 388.5231 406.9032 414.4437 430.4126 443.9011 459.3561 462.8793 468.1136 485.7572 519.6825 544.2088 549.2214 577.0109 582.8475 610.4555 620.2168 627.1756 645.5594 694.1894 696.3200 698.0385 703.3051 723.7020 731.9495 754.1666 778.3775 786.1461 789.6014 802.8870 826.1857 833.5595 840.5563 850.1803 893.0092 894.4550 913.4248 927.4157 929.2922 937.8928 949.0621 953.9686 965.0832 1010.3968 1024.7872 1027.5729 1035.8424 1046.9992 1067.9886 1073.5194 1078.7273 1102.7401 1107.9215 1109.4429 1109.8831 1115.6069 1117.4575 1134.2573 1144.9628 1178.4513 1185.3144 1186.2299 1200.4974 1206.0935 1212.1135 1235.3557 1254.5347 1283.9110 1284.5610 1294.2147 1306.7273 1315.8911 1317.5410 1325.3234 1343.6200 1350.0325 1356.8964 1367.6921 1385.2901 1390.7231 1392.5656 1405.1960 1437.3008 1444.9489 1451.0892 1463.7098 1467.3707 1477.7763 1478.6128 1507.6111 1532.5595 1532.9660 1546.9350 1567.3127 1570.9043 1582.5649 1591.7796 1594.5213 1620.3727 1631.8572 1640.2244 1643.5089 1646.7734 1669.3603 1680.4071 1698.7178 1704.2415 1722.4600 1742.0135 1772.1096 1792.9051 1806.9724 1821.0805 1824.6661 1949.2950 1957.1443 1982.2588 3209.8350 3235.8896 3253.0303 3256.8760 3264.2569 3269.7567 3304.0221 3318.4077 3330.2856 3345.4047 3352.2226 3357.9719 3390.3590 3391.1768 3398.4921 3401.8262 3403.1454 3405.5358 3408.5043 3452.2548 3459.9695 3887.6858
8.5472 9.5337 6.9621 5.0961 5.1118 6.6337 6.4027 5.7015 5.5941 6.9016 7.0203 5.3282 8.1516 6.7794 6.7329 7.5022 6.2536 4.8948 5.4351 6.8704 3.2916 4.0071 5.7056 3.5882 8.0223 4.5032 6.9987 4.1362 5.4294 4.5704 6.0634 4.1052 3.1954 4.1596 1.3519 3.0162 3.4521 3.0329 5.8330 7.0281 3.9962 4.1327 3.2188 3.7328 3.7795 4.7908 3.4969 4.4412 4.6837 5.5511 4.8897 5.7751 5.8816 5.5834 7.0649 4.2317 6.8671 3.5436 9.2180 1.9643 3.5314 3.5473 4.2540 6.1087 4.3376 4.1031 1.3412 4.8427 1.3195 1.5199 2.6598 1.8367 3.0713 1.3832 2.3817 1.9715 2.6869 3.8571 1.3688 1.5933 1.3847 1.4538 3.3837 3.2438 2.6115 1.3522 3.0357 3.0860 1.9322 2.5247 1.7844 3.5275 2.4351 2.6599 3.0559 2.4692 2.6849 1.2161 2.6470 1.2432 1.1723 2.8757 2.0043 1.8995 2.3840 1.2570 2.7093 2.8899 3.7441 2.0933 1.6812 2.6102 1.8729 1.4033 1.3813 1.1923 1.2985 1.8614 1.8390 1.4526 1.5894 1.6373 2.2600 1.7280 2.5290 3.3750 2.4998 1.1007 1.3646 1.5100 1.1888 1.5475 1.1317 2.2389 2.7195 1.9598 5.7966 8.9895 6.6713 6.6083 5.3384 5.9617 6.0876 11.9999 9.4855 11.9915 1.0731 1.0715 1.0827 1.0672 1.0710 1.0607 1.0993 1.1071 1.0954 1.1046 1.0972 1.0916 1.0908 1.0898 1.0930 1.0952 1.0943 1.0967 1.0957 1.0990 1.0938 1.0792
0.0001 0.0003 0.0008 0.0014 0.0018 0.0039 0.0055 0.0051 0.0093 0.0136 0.0202 0.0271 0.0537 0.0474 0.0754 0.1176 0.1060 0.1223 0.1511 0.2101 0.1274 0.1676 0.2562 0.1784 0.4063 0.2632 0.4381 0.3349 0.4449 0.3836 0.5393 0.4005 0.3234 0.4540 0.1570 0.3750 0.4358 0.3916 0.8109 1.1183 0.6973 0.7345 0.6314 0.7471 0.8298 1.0858 0.8104 1.0905 1.3298 1.5858 1.4038 1.6830 1.8150 1.7624 2.3675 1.5106 2.5005 1.3017 3.5010 0.7900 1.4457 1.4767 1.8116 2.8702 2.0447 2.0170 0.6797 2.4640 0.6839 0.8066 1.4262 1.0079 1.8474 0.8559 1.4817 1.2463 1.7354 2.5920 0.9294 1.0924 0.9921 1.0514 2.4539 2.3543 1.9150 0.9948 2.3011 2.3836 1.5810 2.0899 1.4794 2.9953 2.0870 2.3025 2.7478 2.2896 2.6076 1.1823 2.6123 1.2508 1.1960 2.9412 2.0743 2.0204 2.5600 1.3636 2.9860 3.2674 4.2665 2.3918 1.9559 3.1770 2.3039 1.7409 1.7436 1.5125 1.6708 2.3977 2.4627 2.0101 2.2006 2.3084 3.2710 2.5124 3.7318 5.0384 3.7447 1.7027 2.1410 2.3935 1.8919 2.4726 1.8581 3.7249 4.6236 3.3537 10.1327 16.0727 12.3436 12.5156 10.2698 11.6488 11.9417 26.8647 21.4071 27.7617 6.5141 6.6102 6.7503 6.6694 6.7239 6.6812 7.0708 7.1827 7.1578 7.2838 7.2644 7.2522 7.3871 7.3839 7.4378 7.4675 7.4673 7.4941 7.4998 7.7172 7.7150 9.6104
0.8443 0.3043 0.9093 0.0905 0.0694 1.3806 1.0445 4.8174 0.8596 1.5125 3.2593 1.1283 2.0768 7.3136 2.1234 0.9566 1.4467 0.7978 0.1428 3.1594 0.7023 1.1283 0.1076 1.4436 2.4078 3.4395 10.4789 24.1640 4.4454 38.3795 8.3069 14.0941 3.1446 22.2991 66.5890 0.3919 6.2217 0.3733 2.9622 32.9509 18.4860 10.7404 8.8130 9.7586 12.8372 5.2563 10.5057 7.4803 1.1003 3.9677 2.1388 7.1765 6.0977 15.6455 16.3528 1.7643 6.6042 2.3115 7.8318 4.2866 14.6275 3.3053 64.0809 39.5866 32.2029 29.7903 18.6558 11.4047 1.4994 45.3080 17.3720 56.1332 0.5040 2.6105 7.5808 21.4492 2.2823 5.5629 0.0017 3.9758 0.5602 1.0663 15.3864 33.8004 3.0226 1.5993 24.4623 11.9184 14.4207 12.4317 7.6160 6.6915 17.9535 51.2252 2.2220 61.8842 5.8739 21.6311 0.6170 12.8276 4.9121 8.2690 58.8316 196.4008 19.5989 53.4232 132.9570 57.6856 108.0649 66.3334 30.0415 50.9060 141.9708 16.6813 3.7482 50.9134 20.1727 140.3230 72.1024 38.7128 11.1849 19.9016 78.6205 10.0690 7.1061 5.4651 128.5177 14.1965 17.0211 22.7858 42.5566 17.7303 119.1657 248.7480 136.6111 352.6064 62.4675 190.7953 2.8677 8.7269 15.9960 337.6182 225.6420 865.9002 252.5234 388.5356 43.0417 15.3148 33.7740 26.4245 25.2731 32.5203 10.1279 4.7787 4.8379 6.7320 0.7980 15.1824 1.5883 8.7960 4.5014 3.7049 10.5588 3.5005 8.5861 5.1350 0.5435 43.8066
0.7370 0.8173 1.8658 5.1752 6.2169 1.7934 1.8570 1.8563 4.8016 2.4246 1.4985 0.5688 0.3996 0.8100 0.4771 0.4440 0.7583 0.7716 0.3589 1.1220 1.0096 1.3426 0.2978 0.4500 0.9356 0.6347 1.2739 1.9084 2.8636 2.0285 1.9873 1.0713 1.5509 2.5181 0.7195 0.2009 0.5632 0.0562 2.1293 2.6756 2.6085 1.7581 1.3196 2.2216 0.5725 1.8384 0.7417 1.9220 5.7477 7.4861 2.7534 3.2185 1.5722 1.5845 8.7019 1.6030 6.2035 1.5310 0.7582 3.4037 13.0108 4.9710 3.6891 5.8960 3.8620 22.4299 1.6097 13.7703 3.9311 0.9075 6.3482 0.9191 3.9446 2.2061 1.7832 2.4335 3.9497 9.8101 1.9747 4.5745 0.5875 1.7497 2.1561 10.2524 0.1523 1.0799 2.6383 6.6391 1.2426 3.8846 1.5887 6.2023 3.7504 15.1544 3.8701 6.0950 7.3231 4.7233 4.7614 4.8532 5.9318 3.7427 3.3801 3.9881 3.4961 9.9806 7.9349 6.1688 4.3664 7.9335 9.1271 14.7904 22.0433 1.4242 2.3643 16.1492 5.0803 10.7865 9.1876 11.8851 3.8431 2.8537 5.5029 2.1068 1.3304 37.9045 5.7319 14.6158 58.1660 22.4952 26.9645 47.4211 17.3062 6.2048 1.5870 3.3232 5.9911 73.1844 1.7118 7.3893 124.1203 49.7018 31.2777 18.7924 2.4123 12.9036 66.7037 70.7933 180.8385 118.7471 62.2400 38.5218 78.3901 56.2277 33.5138 5.2767 42.7913 52.5750 43.7083 42.7615 72.6116 90.4142 69.6304 122.4160 115.1392 108.2121 52.1667 53.7655
0.7491 0.7205 0.7495 0.7428 0.7485 0.7290 0.7417 0.7487 0.7490 0.7487 0.7456 0.7305 0.6074 0.7173 0.6251 0.0522 0.1992 0.7483 0.7500 0.1305 0.1971 0.3062 0.7491 0.5789 0.3045 0.7114 0.3615 0.6501 0.4760 0.7500 0.7133 0.5502 0.6144 0.6672 0.7347 0.7052 0.5884 0.1005 0.3365 0.4438 0.6381 0.5599 0.5129 0.7302 0.3141 0.5390 0.6473 0.6788 0.6369 0.5868 0.3998 0.4509 0.7388 0.7203 0.0823 0.3334 0.1371 0.6962 0.5384 0.1824 0.0747 0.1511 0.4949 0.0851 0.1620 0.0663 0.4618 0.2850 0.6333 0.6432 0.0812 0.2936 0.5433 0.7412 0.5489 0.6729 0.7169 0.4854 0.7499 0.4708 0.7058 0.6128 0.3868 0.2704 0.2722 0.3159 0.3741 0.1607 0.7488 0.7485 0.7426 0.2018 0.1287 0.1053 0.4158 0.4908 0.2291 0.7379 0.1875 0.6714 0.1525 0.1432 0.3812 0.6227 0.7098 0.6568 0.2393 0.4098 0.2339 0.3227 0.5215 0.6023 0.1380 0.5616 0.7421 0.6870 0.6501 0.1402 0.4692 0.6959 0.5004 0.3833 0.5911 0.7342 0.3437 0.2317 0.3859 0.7255 0.4819 0.5556 0.6108 0.4291 0.5569 0.3417 0.6770 0.2421 0.4579 0.3263 0.7190 0.7499 0.4646 0.2381 0.3692 0.3534 0.2956 0.3248 0.2831 0.3920 0.1079 0.1630 0.1283 0.1531 0.6018 0.6733 0.4418 0.6653 0.2571 0.5456 0.7334 0.6888 0.3851 0.2934 0.2447 0.1375 0.1464 0.2892 0.2127 0.2038
0.8566 0.8375 0.8568 0.8524 0.8561 0.8433 0.8517 0.8563 0.8565 0.8563 0.8543 0.8443 0.7558 0.8354 0.7693 0.0993 0.3323 0.8560 0.8571 0.2308 0.3293 0.4689 0.8566 0.7333 0.4668 0.8314 0.5310 0.7880 0.6450 0.8571 0.8326 0.7099 0.7612 0.8004 0.8471 0.8271 0.7409 0.1827 0.5036 0.6148 0.7791 0.7178 0.6781 0.8441 0.4781 0.7004 0.7859 0.8087 0.7782 0.7396 0.5712 0.6216 0.8498 0.8374 0.1521 0.5001 0.2411 0.8209 0.7000 0.3086 0.1390 0.2625 0.6622 0.1569 0.2789 0.1244 0.6318 0.4436 0.7755 0.7829 0.1501 0.4539 0.7041 0.8514 0.7087 0.8044 0.8351 0.6535 0.8571 0.6402 0.8275 0.7600 0.5579 0.4257 0.4279 0.4801 0.5445 0.2769 0.8564 0.8562 0.8523 0.3358 0.2280 0.1905 0.5874 0.6584 0.3727 0.8492 0.3157 0.8034 0.2647 0.2506 0.5520 0.7675 0.8302 0.7928 0.3862 0.5813 0.3791 0.4880 0.6855 0.7518 0.2426 0.7193 0.8520 0.8144 0.7880 0.2459 0.6388 0.8207 0.6670 0.5542 0.7430 0.8467 0.5116 0.3763 0.5569 0.8409 0.6504 0.7143 0.7584 0.6005 0.7154 0.5094 0.8074 0.3898 0.6281 0.4920 0.8365 0.8571 0.6345 0.3846 0.5392 0.5222 0.4563 0.4903 0.4412 0.5632 0.1948 0.2803 0.2274 0.2655 0.7514 0.8048 0.6129 0.7990 0.4090 0.7060 0.8462 0.8157 0.5561 0.4536 0.3932 0.2418 0.2554 0.4487 0.3509 0.3386
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
6 6 6 6 6 6 6 7 6 7 6 6 6 8 6 7 7 6 6 7 6 8 6 1 6 6 8 7 6 6 6 6 6 6 6 17 9 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 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 14.00307 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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
14490.1075 51308.3649 61006.0065
0.99996 -0.00658 -0.00556 0.00666 0.99989 0.01339 0.00548 -0.01343 0.99989
1
0.00598 0.00169 0.00142
0.12455 0.03517 0.02958
7.21 10.92 19.74 31.34 35.34 45.34 54.79 56.22 76.40 83.12 100.55 133.73 152.14 156.79 198.36 234.65 244.00 296.25 312.56 327.79 368.74 383.39 397.22 417.96 421.85 453.16 468.99 533.36 536.56 543.07 559.00 585.44 596.29 619.27 638.67 660.91 665.98 673.51 698.90 747.71 783.00 790.21 830.19 838.59 878.31 892.35 902.37 928.82 998.78 1001.85 1004.32 1011.90 1041.25 1053.11 1085.08 1119.91 1131.09 1136.06 1155.18 1188.70 1199.31 1209.37 1223.22 1284.84 1286.92 1314.21 1334.34 1337.04 1349.42 1365.49 1372.55 1388.54 1453.74 1474.44 1478.45 1490.35 1506.40 1536.60 1544.55 1552.05 1586.60 1594.05 1596.24 1596.87 1605.11 1607.77 1631.94 1647.35 1695.53 1705.40 1706.72 1727.25 1735.30 1743.96 1777.40 1805.00 1847.26 1848.20 1862.09 1880.09 1893.27 1895.65 1906.84 1933.17 1942.40 1952.27 1967.80 1993.12 2000.94 2003.59 2021.76 2067.96 2078.96 2087.79 2105.95 2111.22 2126.19 2127.39 2169.12 2205.01 2205.60 2225.69 2255.01 2260.18 2276.96 2290.22 2294.16 2331.35 2347.88 2359.92 2364.64 2369.34 2401.84 2417.73 2444.08 2452.02 2478.24 2506.37 2549.67 2579.59 2599.83 2620.13 2625.29 2804.60 2815.89 2852.03 4618.24 4655.72 4680.39 4685.92 4696.54 4704.45 4753.75 4774.45 4791.54 4813.29 4823.10 4831.37 4877.97 4879.15 4889.67 4894.47 4896.37 4899.81 4904.08 4967.02 4978.12 5593.51
0.484756
0.513510
0.514454
0.415842
-2069.290123
-2069.261369
-2069.260425
-2069.359037
3.307463D-04
MUNgauss
RevisionA2.0
retrievium
18-Jul-2020
DUDE c1cc(ccc1Cn2cnc3c(c2=O)cnn3CCNC(=O)[C@@H]4CC(=O)N(C4)c5ccc(cc5)Cl)F C12071788
RHF
6-31G(d)
(6D,10F)
C1
508.142595
|X|Y|Z|
80.221138 38.155322 159.355721
78.717362
31
|36.858105|
|13.731314|36.858105|
|8.029290|13.855633|36.858105|
|6.882252|7.901934|13.797785|36.858105|
|7.962639|6.861966|8.012904|13.788045|36.858105|
|13.734869|7.880258|6.901127|7.893479|13.667760|36.858105|
|7.554929|5.006638|4.457290|5.012521|7.542087|12.586893|36.858105|
|5.475450|4.073435|3.773855|4.268927|5.955984|7.623050|12.939904|53.358707|
|5.053592|3.865364|3.460759|3.678041|4.647535|5.908260|7.809660|19.068414|36.858105|
|3.871970|3.191695|2.944195|3.117269|3.736085|4.335981|5.204246|10.976502|14.925454|53.358707|
|3.341883|2.837362|2.727494|2.988675|3.589264|3.891726|4.644687|9.850101|8.671758|19.053724|36.858105|
|3.384259|2.868530|2.833282|3.237554|4.028445|4.180349|5.120976|11.050623|7.136965|10.619287|13.834152|36.858105|
|4.157031|3.374097|3.327993|3.935266|5.346700|5.646118|7.692749|18.389041|7.838021|8.944082|7.829142|13.283832|36.858105|
|3.918474|3.261410|3.322518|4.080629|5.624238|5.428377|6.948114|11.401270|5.419952|6.330079|5.335261|8.042139|15.866827|73.516695|
|2.731850|2.407980|2.423919|2.755453|3.264907|3.252402|3.755874|6.916162|4.731968|7.334435|8.642375|13.451920|7.210817|10.622460|36.858105|
|2.487265|2.220433|2.212870|2.448723|2.815518|2.850260|3.219905|5.780615|4.349485|7.345790|8.603876|8.542953|5.223063|7.717319|14.724303|53.358707|
|2.731962|2.405414|2.344834|2.545932|2.937971|3.082676|3.512798|6.562451|5.486761|10.788335|14.303419|8.725306|5.383695|7.440234|8.963763|19.143317|53.358707|
|2.429683|2.180180|2.107830|2.230169|2.496537|2.634588|2.917511|5.098306|4.427214|8.501394|7.594534|5.285743|3.889396|5.678995|5.451591|10.688132|17.923839|36.858105|
|2.257446|2.082916|2.047528|2.159769|2.353548|2.418460|2.566979|4.320903|3.626325|6.402337|5.432708|4.277241|3.313889|5.019306|4.581072|8.523003|10.567116|12.459520|36.858105|
|1.990592|1.858859|1.817794|1.886448|2.022999|2.087558|2.196975|3.566323|2.983586|5.043855|3.977656|3.265760|2.674701|4.153195|3.446132|5.979475|6.942199|7.716988|13.140448|53.358707|
|1.985804|1.865325|1.803981|1.840024|1.954426|2.039676|2.124777|3.389156|2.888681|4.809817|3.544665|2.899327|2.461576|3.829982|2.928457|4.809022|5.706809|5.917206|7.753183|19.170059|36.858105|
|2.195731|2.058616|1.968812|1.987248|2.109040|2.227946|2.304582|3.680374|3.228040|5.415922|3.780189|3.019666|2.600951|4.001248|2.932202|4.685916|5.780780|5.748090|6.843272|11.581815|15.880998|73.516695|
|1.725568|1.636695|1.585528|1.607523|1.690904|1.758026|1.823705|2.838096|2.366779|3.790340|2.787325|2.372996|2.064684|3.278633|2.418178|3.871154|4.367140|4.189668|5.004401|10.681319|12.465633|14.111509|36.858105|
|1.634654|1.561278|1.527424|1.555719|1.627581|1.672715|1.724731|2.672241|2.190112|3.466050|2.600543|2.262000|1.969573|3.158386|2.344926|3.747970|4.094862|3.807081|4.748332|9.935920|8.933368|10.819260|17.571111|0.500000|
|1.630880|1.534291|1.478819|1.501616|1.591302|1.665810|1.753962|2.719752|2.258326|3.599596|2.652922|2.272360|1.981547|3.157653|2.325240|3.718948|4.158691|3.977407|4.280448|8.326853|7.511139|10.055244|12.387217|0.242503|36.858105|
|1.633003|1.536092|1.464409|1.470403|1.554551|1.645643|1.730713|2.650454|2.222141|3.492506|2.486095|2.126191|1.892353|3.016120|2.121138|3.306921|3.749563|3.466178|3.535999|6.182449|5.808588|9.272141|7.876176|0.160102|12.559842|36.858105|
|1.582450|1.481736|1.406112|1.410400|1.496326|1.592984|1.688793|2.568394|2.145425|3.335279|2.362417|2.036044|1.827686|2.923530|2.022722|3.120047|3.517274|3.174935|3.096609|5.115255|4.454455|7.410559|5.344224|0.119504|7.917544|15.945072|73.516695|
|1.667971|1.583900|1.508288|1.501599|1.572635|1.662886|1.723343|2.620281|2.205004|3.433787|2.405625|2.059870|1.853053|2.956104|2.031512|3.128197|3.560707|3.227150|3.403794|5.855214|5.904854|10.213096|8.057281|0.162905|8.168836|13.965104|14.758616|53.358707|
|1.687009|1.614746|1.554036|1.553444|1.617265|1.689737|1.732804|2.648303|2.214133|3.463393|2.467149|2.119453|1.892114|3.021600|2.112246|3.276756|3.700822|3.369450|3.821545|6.911501|7.517501|12.163357|12.426287|0.243986|7.926856|8.096194|9.651787|17.790755|36.858105|
|1.637492|1.563483|1.478181|1.455486|1.514869|1.610447|1.657843|2.480619|2.084712|3.175589|2.183161|1.888324|1.732048|2.777841|1.836803|2.770244|3.141568|2.743102|2.827808|4.560157|4.318879|8.062201|5.130228|0.116105|5.138273|7.722443|11.623802|18.359108|7.608148|36.858105|
|1.648257|1.563233|1.464023|1.436146|1.501613|1.612848|1.673223|2.485754|2.095766|3.161171|2.143334|1.856128|1.718794|2.757004|1.787408|2.669851|3.037037|2.611878|2.586393|4.021686|3.634330|6.890105|4.017638|0.093047|4.289105|6.381556|11.710228|10.585722|5.071778|13.670094|36.858105|
|1.587581|1.516783|1.415275|1.376428|1.429222|1.536883|1.582040|2.313169|1.933666|2.854827|1.925242|1.690496|1.590049|2.570114|1.618378|2.381058|2.682418|2.243755|2.218893|3.354914|2.938133|5.616733|3.164689|0.076354|3.281699|4.379226|8.099863|6.992942|3.899336|7.916972|13.789377|36.858105|
|1.525285|1.475247|1.383245|1.339032|1.376680|1.469446|1.493595|2.169175|1.797578|2.631660|1.784254|1.581383|1.495068|2.430754|1.517498|2.221288|2.480241|2.053093|2.073271|3.125905|2.729924|5.219182|2.959521|0.073151|2.945514|3.721678|6.542176|6.186942|3.743658|6.855126|7.949391|13.774805|36.858105|
|1.516922|1.475723|1.395242|1.354523|1.386639|1.467523|1.482407|2.165036|1.790001|2.638480|1.805633|1.600017|1.503008|2.443858|1.546012|2.275668|2.533544|2.112225|2.188067|3.352703|2.979953|5.665696|3.319109|0.082638|3.172486|3.928140|6.511586|7.013613|4.465378|7.892525|6.870652|7.954877|13.819760|36.858105|
|1.568940|1.517743|1.441314|1.410830|1.451982|1.532683|1.556142|2.303941|1.915701|2.873964|1.981567|1.738037|1.609998|2.602323|1.691227|2.523801|2.825811|2.410864|2.538492|4.019982|3.717185|6.984090|4.355735|0.105321|4.060406|5.196325|8.013201|10.708294|6.578751|13.707120|7.951101|6.903880|7.977255|13.755824|36.858105|
|1.432655|1.396429|1.307281|1.256679|1.283540|1.369145|1.382912|1.977949|1.620176|2.328250|1.578661|1.419176|1.360045|2.230587|1.357739|1.961922|2.168273|1.755667|1.762517|2.598213|2.200539|4.189323|2.332844|0.059147|2.321409|2.787373|4.984589|4.368617|2.805275|4.211487|4.761377|7.023032|10.920632|7.032439|4.766665|448.794386|
|5.313056|8.174790|14.336552|8.164629|5.311868|4.658629|3.400168|4.091035|2.829801|3.399917|2.342133|2.411788|2.736043|4.878922|2.124646|2.678781|2.815504|1.893132|1.869930|2.291554|1.679617|3.244754|1.493187|0.040182|1.388212|1.376128|2.345292|1.940234|1.474709|1.403817|1.385176|1.347300|1.328713|1.345278|1.382428|10.152900|97.533100|
|17.698721|8.959903|5.696248|4.955451|5.648472|8.906322|6.995709|7.106439|5.173312|5.361494|3.283881|3.226580|3.862309|6.331214|2.609257|3.284585|3.662541|2.431356|2.228954|2.703822|2.002093|3.959072|1.745586|0.045582|1.662010|1.682623|2.917121|2.338023|1.717435|1.698819|1.728393|1.671814|1.597072|1.574023|1.620266|12.070710|9.628584|0.500000|
|8.839800|17.743797|8.966818|5.642736|4.948569|5.607439|4.074572|4.683694|3.394469|3.923123|2.547014|2.527673|2.886519|4.934583|2.158151|2.753260|2.992809|2.033723|1.954451|2.410214|1.797692|3.538893|1.591804|0.042112|1.492713|1.507209|2.588868|2.128771|1.588603|1.559377|1.564503|1.532006|1.497909|1.493905|1.523282|11.479884|16.708062|0.214222|0.500000|
|4.959029|5.647129|8.956134|17.741893|8.866224|5.611481|4.076698|4.967181|3.174254|3.791124|2.744648|3.005779|3.553479|6.713498|2.643202|3.198206|3.259421|2.105410|2.068872|2.467176|1.757679|3.342137|1.544876|0.041852|1.440346|1.402076|2.386123|1.948125|1.489301|1.383582|1.358286|1.301438|1.271098|1.291544|1.346620|9.586397|16.721074|0.107606|0.124632|0.500000|
|5.659122|4.947447|5.681343|8.946661|17.732289|8.910363|7.009789|8.248563|4.481077|5.040899|3.749511|4.474774|6.203725|12.934289|3.653811|4.140817|4.192909|2.558732|2.405237|2.786408|1.947713|3.689353|1.684527|0.045263|1.590893|1.539929|2.635640|2.104430|1.593840|1.477859|1.460976|1.383365|1.329456|1.341768|1.411832|9.917550|9.615320|0.124157|0.107470|0.213666|0.500000|
|7.288415|4.768286|4.005216|4.188867|5.599281|8.890915|17.603945|12.500020|7.400063|6.783282|4.221724|4.363554|5.819404|9.258761|3.313683|4.004160|4.445738|2.801149|2.440945|2.895122|2.085112|4.041717|1.802814|0.047027|1.748963|1.748039|3.057078|2.367461|1.727644|1.687688|1.722969|1.637546|1.537879|1.512591|1.578611|11.474534|7.071087|0.222856|0.112965|0.096135|0.141350|0.500000|
|5.780653|4.252898|3.997201|4.659795|6.914255|8.869092|17.688880|12.621182|5.841541|5.917177|4.168868|4.886148|7.591997|14.574853|3.722227|4.238051|4.443549|2.698768|2.382896|2.789299|1.962972|3.726631|1.702730|0.045027|1.649485|1.619393|2.820363|2.180481|1.610609|1.537885|1.551823|1.468716|1.387842|1.377586|1.445056|10.352683|7.060499|0.147978|0.098044|0.109702|0.201533|0.303143|0.500000|
|5.795287|4.271942|3.613706|3.656002|4.479757|6.076815|7.504377|12.618603|17.732881|12.847602|5.970231|5.091234|5.672033|7.824838|3.736221|4.801351|5.900143|3.789545|3.204497|3.730516|2.734366|5.518949|2.275897|0.058171|2.174783|2.184767|3.771370|2.983600|2.177520|2.110626|2.146437|2.004237|1.863429|1.839656|1.947073|13.579042|6.623185|0.179609|0.106045|0.086134|0.113986|0.229402|0.150549|0.500000|
|2.519993|2.252842|2.302747|2.645433|3.100819|3.003195|3.407706|5.873721|3.876911|5.691698|5.857189|8.486191|6.111518|10.339046|17.799956|12.596288|8.244137|4.287709|3.826199|4.100623|2.578370|4.541814|2.185163|0.059600|2.111168|1.925519|3.277631|2.511398|1.920643|1.676739|1.631504|1.487158|1.401722|1.428863|1.555370|10.139620|4.584470|0.066371|0.056145|0.071811|0.098506|0.083354|0.097037|0.088411|0.500000|
|2.567348|2.286358|2.170181|2.259043|2.526747|2.731922|3.030932|5.270374|4.876530|9.830261|7.276663|4.850371|3.783628|5.474212|4.568791|7.877299|12.638253|17.654668|8.835561|9.323451|6.213331|11.913385|4.321718|0.104471|4.116923|3.775857|6.169260|4.834185|3.605526|3.044020|2.936024|2.499739|2.258086|2.303341|2.631226|15.359584|4.370661|0.072564|0.059654|0.058527|0.070594|0.082548|0.076354|0.119090|0.101897|0.500000|
|2.187544|1.968910|1.905323|2.013818|2.247215|2.366476|2.641984|4.496837|3.775829|6.780898|5.946745|4.591045|3.474087|5.217565|4.981507|9.742241|12.581196|17.595816|8.830268|9.661102|5.383716|8.711544|4.128693|0.104817|4.200950|3.578046|5.943786|4.344109|3.258563|2.688268|2.581280|2.205615|2.001451|2.047237|2.337415|13.744147|3.875539|0.061126|0.051289|0.053108|0.064329|0.071195|0.069171|0.091604|0.113521|0.300503|0.500000|
|2.138113|1.984869|1.979922|2.115503|2.300878|2.318389|2.454204|4.098911|3.294936|5.579917|4.981129|4.251241|3.264075|5.049648|4.925820|9.516837|9.762070|8.868758|17.622666|12.584472|5.785261|8.956820|4.269279|0.119197|3.753681|3.080816|4.873187|4.013889|3.310903|2.484731|2.281952|1.985476|1.870915|1.974806|2.266294|12.936503|4.085849|0.058038|0.051506|0.056990|0.066322|0.064091|0.064334|0.080339|0.117400|0.174049|0.209787|0.500000|
|2.449803|2.276480|2.243017|2.357113|2.548210|2.608706|2.708056|4.557517|3.873979|6.797408|5.503681|4.314976|3.426575|5.159361|4.383484|7.508716|9.457185|8.862994|17.623521|12.511294|7.217157|13.133815|4.648477|0.122504|3.809206|3.292552|5.113331|4.509088|3.785127|2.817819|2.564738|2.226985|2.106073|2.236337|2.579297|14.426166|4.605740|0.066697|0.059236|0.062548|0.071585|0.071012|0.068815|0.095616|0.101857|0.215881|0.173809|0.301847|0.500000|
|1.819516|1.706477|1.678171|1.746581|1.866863|1.912429|2.014254|3.230225|2.641964|4.353010|3.485137|2.974038|2.455281|3.875795|3.225170|5.574114|6.047186|6.205037|9.023369|26.088458|9.376161|10.878973|7.529530|0.219624|6.362325|4.407208|6.545791|5.492848|4.737731|3.136970|2.768028|2.320759|2.169641|2.329204|2.784172|14.566112|3.516784|0.050355|0.045219|0.046941|0.052797|0.054172|0.052807|0.067579|0.080238|0.149065|0.177323|0.231267|0.183480|0.500000|
|1.683024|1.568694|1.511140|1.545093|1.653293|1.735226|1.850831|2.902197|2.412592|3.900533|2.920415|2.480529|2.130831|3.376731|2.562575|4.177398|4.691745|4.640754|4.754251|9.139213|7.196919|9.666748|8.569132|0.188181|17.616622|8.893267|12.717203|8.185555|5.724877|4.251525|3.812600|2.986853|2.650858|2.779274|3.410675|17.169324|3.169858|0.047657|0.042141|0.041097|0.046174|0.051224|0.048484|0.063786|0.064195|0.131299|0.144091|0.115424|0.111909|0.198116|0.500000|
|1.495496|1.414772|1.370665|1.393165|1.469573|1.528297|1.603635|2.462692|2.012828|3.154815|2.347994|2.056291|1.807581|2.913553|2.125835|3.365534|3.656778|3.365103|3.641696|6.751043|5.565193|7.785795|8.727171|0.222414|17.552327|8.995929|12.046433|8.874900|6.516999|4.515081|3.805847|3.012999|2.754768|2.981975|3.750701|17.711481|2.911062|0.042212|0.038292|0.037317|0.040925|0.044352|0.042199|0.053886|0.054391|0.094309|0.099735|0.092712|0.090676|0.152349|0.302509|0.500000|
|1.552365|1.497368|1.449573|1.448423|1.497851|1.553662|1.584531|2.397940|1.974975|3.041470|2.187386|1.915699|1.723846|2.781958|1.923922|2.957381|3.265647|2.892830|3.289911|5.778639|5.598757|8.976865|8.806882|0.226602|6.506339|6.439035|8.348798|12.320186|17.540753|6.544941|4.466389|3.611577|3.608799|4.452427|6.493495|22.085189|3.118429|0.043746|0.041028|0.038797|0.041071|0.043806|0.041165|0.053993|0.049172|0.084029|0.078571|0.082035|0.090528|0.115374|0.133515|0.172302|0.500000|
|1.800239|1.731827|1.663296|1.652351|1.711348|1.789946|1.817063|2.773530|2.336547|3.645320|2.556285|2.185040|1.962678|3.123401|2.148624|3.303213|3.771781|3.384932|3.878648|6.669588|7.365762|14.014202|8.743037|0.191530|5.772917|6.004993|7.937409|12.397881|17.663432|7.000377|4.842304|3.881174|3.831988|4.653574|6.691580|23.191227|3.556531|0.050868|0.047466|0.043892|0.046535|0.050266|0.046559|0.064281|0.054044|0.102175|0.088007|0.092178|0.111904|0.121304|0.129562|0.134194|0.299966|0.500000|
|1.680415|1.577868|1.474116|1.453232|1.532478|1.654375|1.737694|2.596562|2.198983|3.341213|2.263888|1.948475|1.795601|2.869026|1.875557|2.813433|3.218862|2.790468|2.688131|4.162754|3.697150|6.924104|4.000562|0.091769|4.536277|6.980775|14.704606|9.657164|4.657587|8.901878|17.824885|8.970235|5.666992|4.959209|5.655104|31.621807|3.117436|0.049120|0.043650|0.038091|0.041553|0.049901|0.044829|0.062358|0.047385|0.087960|0.077737|0.065641|0.072862|0.079676|0.116338|0.109891|0.111935|0.120815|0.500000|
|1.572785|1.497298|1.390271|1.349758|1.404878|1.518533|1.570295|2.279978|1.900946|2.779788|1.866811|1.647268|1.560671|2.528676|1.570189|2.294029|2.578386|2.130663|2.071422|3.079504|2.634577|5.023193|2.778552|0.067746|2.926779|3.796502|7.310877|5.667193|3.266787|5.640466|8.946819|17.747057|8.930207|5.658991|4.970344|53.677973|2.972901|0.046297|0.042101|0.035371|0.037736|0.045476|0.040568|0.055071|0.040156|0.065951|0.058477|0.051768|0.057560|0.059351|0.075993|0.075122|0.084286|0.090196|0.216624|0.500000|
|1.456173|1.428865|1.356838|1.313549|1.335145|1.405070|1.408291|2.043976|1.675846|2.449931|1.684402|1.506321|1.422420|2.325706|1.457999|2.133864|2.355629|1.940946|2.028064|3.077910|2.690025|5.087630|2.971699|0.076018|2.794001|3.301695|5.464795|5.691893|3.897262|5.629378|4.953131|5.654431|8.933915|17.747479|8.920564|53.655967|2.964797|0.041802|0.040319|0.034915|0.035851|0.039798|0.036429|0.047840|0.037620|0.058194|0.052111|0.051352|0.057949|0.059708|0.068537|0.074084|0.111659|0.114494|0.107670|0.124371|0.500000|
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