Version2.0
2020-01-13T21:57:12Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
24-Oct-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1ccc2c(c1)[C@]3(C(=C(N(C4=C3C(=O)CC(C4)(C)C)c5ccc(cc5)C(F)(F)F)N)C#N)C(=O)N2 C01422436
RHF
6-31G(d)
(6D,7F)
Cc1ccc2c(c1)[C@]3(C(=C(N(C4=C3C(=O)CC(C4)(C)C)c5ccc(cc5)C(F)(F)F)N)C#N)C(=O)N2
C01[X(C27H23F3N4O2)]
171
C1
586
N#CC1=C(N)N(c2ccc(cc2)C(F)(F)F)C2=C([C@@]31C(=O)Nc1c3cc(C)cc1)C(=O)CC(C2)(C)C
N#CC1=C(N)N(c2ccc(cc2)C(F)(F)F)C2=C([C@@]31C(=O)Nc1c3cc(C)cc1)C(=O)CC(C2)(C)C
Cc1ccc2NC(=O)[C@]3(c2c1)C(=C(N)N(c4ccc(cc4)C(F)(F)F)C5=C3C(=O)CC(C)(C)C5)C#N
InChIKey=ZHNSDDGFMODTFX-AREMUKBSSA-N
InChI=1S/C27H23F3N4O2/c1-14-4-9-19-17(10-14)26(24(36)33-19)18(13-31)23(32)34(16-7-5-15(6-8-16)27(28,29)30)20-11-25(2,3)12-21(35)22(20)26/h4-10H,11-12,32H2,1-3H3,(H,33,36)/t26-/m1/s1
InChI=1/C27H23F3N4O2/c1-14-4-9-19-17(10-14)26(24(36)33-19)18(13-31)23(32)34(16-7-5-15(6-8-16)27(28,29)30)20-11-25(2,3)12-21(35)22(20)26/h4-10H,11-12,32H2,1-3H3,(H,33,36)/t26-/m1/s1/f/h33H
Cc1ccc2c(c1)[C@]3(C(=C(N(C4=C3C(=O)CC(C4)(C)C)c5ccc(cc5)C(F)(F)F)N)C#N)C(=O)N2
C01[X(C27H23F3N4O2)]
171
C01
586
N#CC1=C(N)N(c2ccc(cc2)C(F)(F)F)C2=C([C@@]31C(=O)Nc1c3cc(C)cc1)C(=O)CC(C2)(C)C
N#CC1=C(N)N(c2ccc(cc2)C(F)(F)F)C2=C([C@@]31C(=O)Nc1c3cc(C)cc1)C(=O)CC(C2)(C)C
Cc1ccc2NC(=O)[C@]3(c2c1)C(=C(N)N(c4ccc(cc4)C(F)(F)F)C5=C3C(=O)CC(C)(C)C5)C#N
InChIKey=ZHNSDDGFMODTFX-AREMUKBSSA-N
InChI=1S/C27H23F3N4O2/c1-14-4-9-19-17(10-14)26(24(36)33-19)18(13-31)23(32)34(16-7-5-15(6-8-16)27(28,29)30)20-11-25(2,3)12-21(35)22(20)26/h4-10H,11-12,32H2,1-3H3,(H,33,36)/t26-/m1/s1
InChI=1/C27H23F3N4O2/c1-14-4-9-19-17(10-14)26(24(36)33-19)18(13-31)23(32)34(16-7-5-15(6-8-16)27(28,29)30)20-11-25(2,3)12-21(35)22(20)26/h4-10H,11-12,32H2,1-3H3,(H,33,36)/t26-/m1/s1/f/h33H
3948.9613025135
-1701.7182088
1-A
18414.1071
128
458
586
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9.90840
-4.9172 3.6053 3.0024
6.7964
|XX|YY|ZZ|XY|XZ|YZ|
-216.4742 -219.1599 -208.1933 7.0900 11.7309 -0.8760
|XX|YY|ZZ|XY|XZ|YZ|
-1.8651 -4.5507 6.4158 7.0900 11.7309 -0.8760
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
105.7937 103.7987 47.9450 -128.0904 -14.6067 -21.0306 -65.2296 3.3204 2.2565 0.3008
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-16497.9342 -4777.4193 -2604.7758 -119.8471 -70.0063 447.5670 -44.2089 -13.8796 -45.7056 -3806.4031 -2913.9818 -1202.3887 33.3547 32.4646 24.5686
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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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171
|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|
6.3313 7.5228 31.0482 37.8729 44.2911 52.7100 60.7389 65.8230 78.5875 90.0036 105.2368 125.0521 128.7839 131.5599 137.3611 155.7483 165.6228 207.9695 209.8047 223.0415 235.6429 251.2601 261.0245 274.3595 300.7649 312.1346 319.6357 324.0190 333.9509 343.7052 367.9792 375.9393 399.5678 408.2187 415.6713 425.6590 431.7414 459.0586 461.9659 468.1608 471.5947 474.0641 486.8011 492.1517 508.5371 540.3643 559.6748 578.6264 580.6822 595.4393 625.9318 630.8602 635.6004 647.4411 652.4852 671.2981 675.0311 698.8993 705.4713 727.4852 732.2944 749.0523 764.0307 786.1232 801.9319 831.9056 848.7829 854.2906 857.9019 879.2473 904.3503 923.3644 952.7030 960.2923 966.7732 981.1559 994.4613 1016.0279 1023.4597 1025.9114 1035.9327 1038.4551 1063.4360 1072.2082 1096.8165 1100.3625 1103.3495 1115.8434 1118.8309 1131.4635 1141.6176 1160.3606 1174.2243 1185.4570 1193.2116 1196.9751 1217.4997 1249.3514 1264.1287 1273.6665 1288.6546 1298.7510 1303.9610 1317.4521 1324.2360 1326.9433 1345.0976 1357.8489 1371.8571 1375.9279 1387.8974 1410.2438 1420.0378 1434.4950 1451.4346 1454.3858 1457.4604 1475.1547 1477.3430 1484.9895 1538.8449 1549.2746 1550.1628 1560.7215 1567.5762 1567.9692 1579.4427 1602.3701 1610.3309 1622.8405 1632.0645 1634.7036 1642.0226 1648.2398 1652.4311 1659.4083 1664.7944 1700.7151 1763.7566 1776.5996 1808.3808 1826.7210 1833.7720 1839.7169 1876.0158 1973.4005 2009.8469 2565.9181 3195.7004 3197.3810 3199.1109 3205.7531 3212.2743 3245.6516 3259.8848 3264.5896 3269.2800 3276.8097 3278.6794 3282.4601 3284.7094 3344.0094 3357.0225 3378.5139 3382.8319 3391.1474 3406.6424 3412.8433 3806.2978 3890.3703 3909.3976
13.9927 7.2683 7.3793 4.9422 4.9185 1.1165 3.5927 5.3544 3.6491 3.3745 7.1703 8.3140 9.4276 6.3565 5.7450 5.8314 8.5791 4.7643 4.8167 6.0912 1.5281 1.7484 4.4444 2.3011 2.6522 1.9963 5.5064 2.7681 3.7659 1.3452 3.2279 3.9204 3.8808 6.0517 3.6954 3.8473 3.5808 3.7626 3.8687 2.7432 5.2227 4.7104 2.1579 2.8096 3.9794 3.2511 4.5997 4.9539 6.5886 6.7529 4.6021 11.0156 3.6580 5.7153 4.4806 2.6205 3.5227 4.3337 2.9131 4.1674 7.7699 4.3879 6.3189 5.3262 4.9486 7.7046 4.7023 4.2176 4.8219 4.4861 4.2200 1.4265 5.6518 1.3224 4.1039 1.8104 1.8033 1.8422 2.2092 2.7269 1.5585 1.7732 1.3711 2.7661 2.0122 1.9509 1.4166 2.8583 1.4896 2.4042 1.8388 4.6143 1.4972 2.8725 2.2612 3.3503 2.4154 2.3600 1.8782 3.5881 2.0266 2.0110 1.1951 1.6136 2.5291 1.9372 3.5870 12.7472 2.2366 4.5808 6.0415 2.9278 2.1906 2.5913 2.4628 1.7344 1.6855 3.2755 2.3474 6.7461 3.4108 2.1561 2.2660 1.3207 1.2616 2.8106 1.2342 2.5532 1.0954 1.0831 1.0451 1.0474 1.0640 1.1705 1.0660 1.0590 3.1685 2.7351 5.0051 6.5940 6.0350 5.3426 6.5077 1.7686 3.0330 12.1850 11.0334 12.6904 1.0589 1.0384 1.0467 1.0518 1.0568 1.1025 1.1028 1.1024 1.1017 1.1011 1.0958 1.0944 1.1007 1.0914 1.0894 1.0957 1.0926 1.0907 1.0968 1.0948 1.0497 1.0800 1.0997
0.0003 0.0002 0.0042 0.0042 0.0057 0.0018 0.0078 0.0137 0.0133 0.0161 0.0468 0.0766 0.0921 0.0648 0.0639 0.0833 0.1387 0.1214 0.1249 0.1785 0.0500 0.0650 0.1784 0.1021 0.1414 0.1146 0.3315 0.1712 0.2474 0.0936 0.2575 0.3264 0.3651 0.5942 0.3762 0.4107 0.3933 0.4672 0.4865 0.3542 0.6844 0.6237 0.3013 0.4010 0.6063 0.5593 0.8489 0.9772 1.3089 1.4106 1.0623 2.5830 0.8707 1.4115 1.1239 0.6958 0.9457 1.2472 0.8542 1.2995 2.4549 1.4506 2.1733 1.9393 1.8750 3.1416 1.9960 1.8135 2.0910 2.0433 2.0335 0.7166 3.0224 0.7185 2.2600 1.0268 1.0507 1.1205 1.3634 1.6910 0.9854 1.1266 0.9135 1.8736 1.4262 1.3918 1.0161 2.0968 1.0986 1.8134 1.4120 3.6605 1.2163 2.3784 1.8968 2.8281 2.1095 2.1704 1.7684 3.4295 1.9828 1.9985 1.1973 1.6502 2.6131 2.0097 3.8238 13.8474 2.4800 5.1096 6.8567 3.4307 2.6026 3.1418 3.0568 2.1615 2.1095 4.1995 3.0186 8.7649 4.7587 3.0492 3.2082 1.8954 1.8266 4.0712 1.8140 3.8625 1.6737 1.6806 1.6402 1.6491 1.6902 1.8735 1.7149 1.7181 5.1740 4.6611 9.1736 12.2625 11.6281 10.5038 12.8934 3.5269 6.2891 27.9581 26.2594 49.2278 6.3713 6.2545 6.3117 6.3685 6.4250 6.8428 6.9047 6.9222 6.9378 6.9657 6.9405 6.9474 6.9973 7.1907 7.2336 7.3685 7.3664 7.3899 7.4997 7.5134 8.9602 9.6305 9.9028
0.1397 0.1374 0.2954 3.0364 2.0099 0.0763 0.4410 0.3628 2.8797 2.4180 0.6444 1.1230 1.4512 0.6349 1.2380 0.8443 1.4205 2.8369 1.2480 7.0276 0.6465 0.1330 4.0256 3.5001 2.0854 0.2864 4.7563 6.1394 28.2420 94.1147 3.5003 2.3810 5.6022 13.0816 3.4078 0.7334 2.6776 0.4079 5.1695 19.2623 7.4875 9.1990 48.1477 18.8342 3.5515 23.5992 28.6969 10.1779 1.4535 2.8496 21.6544 1.4791 2.2839 11.4417 31.2714 102.5410 26.2922 11.6014 41.6004 5.9462 8.0123 14.7710 30.9743 14.5405 71.9153 17.4074 10.4661 0.9479 20.2134 7.7073 4.3638 40.3155 15.4188 1.3189 1.2135 20.7949 1.1081 7.0632 6.2470 4.0904 2.2500 12.9701 1.0940 3.5677 3.9612 7.1918 7.7952 35.3954 5.5266 30.3573 20.2226 35.3830 1.7303 66.2115 39.1533 5.3779 11.4849 53.1053 11.5231 78.5749 15.5630 46.4681 2.2272 9.6810 57.6194 72.1428 22.7797 283.6968 10.0763 92.6522 143.5433 26.8157 14.3017 65.6976 152.7263 53.7196 27.7461 329.1300 75.9840 271.5474 279.2579 34.6935 20.6941 7.9410 5.7749 37.5841 6.5866 31.7533 5.3818 0.2114 4.0876 0.7463 3.7271 1.4337 3.9185 5.9595 108.1097 20.5003 185.1018 10.2723 23.1193 159.2932 59.5526 82.6075 556.9622 365.2146 564.5472 107.0116 11.2527 48.4208 27.5954 25.1914 25.2374 34.2831 13.1810 20.9283 25.7143 27.9646 33.1028 25.4498 48.2351 16.3940 19.1984 28.4108 3.6872 3.4656 1.9572 0.7583 49.2591 89.3448 49.1857
0.0376 0.2524 0.1442 2.1265 1.3614 0.7055 5.0087 4.8287 4.2642 1.3309 1.1576 1.7946 1.9153 2.0851 0.4622 0.0588 3.1140 0.7826 2.8852 0.0729 0.2449 0.7871 0.5515 0.4478 2.0809 1.0130 3.6258 0.9122 1.2173 1.6767 0.6076 1.1448 2.3641 0.7100 2.1424 0.5841 1.0372 1.3997 1.7050 7.8298 1.5612 4.9484 1.6123 1.1075 1.2239 5.1202 9.1434 0.4982 5.4108 2.1521 1.3586 0.5663 0.8145 4.1769 2.2959 2.3806 0.3800 3.8174 3.6875 4.7795 6.1897 2.2076 8.3935 1.4986 3.8353 10.1978 3.7553 1.3268 5.0955 8.2260 10.8453 1.1222 4.7378 1.9676 19.1354 1.3208 0.1655 2.2841 6.6963 4.7602 6.1291 4.7798 1.3942 10.8297 9.5717 0.5960 2.1946 0.3572 0.1491 6.4549 1.5898 13.9820 0.3942 0.6635 1.9321 1.4410 0.7002 7.0301 9.7849 0.1458 4.2913 3.3426 5.3895 2.0993 4.2028 2.9503 4.5881 3.1229 24.0371 5.0806 1.8779 10.6517 10.4712 5.2920 6.1701 7.5809 9.7275 3.6309 2.2690 46.2914 38.2757 7.3358 16.7938 1.8916 19.0072 0.8785 1.2651 4.5352 12.8281 11.6501 23.6962 20.9353 5.6781 12.2406 23.3143 0.1279 8.4453 5.8075 48.7359 4.4021 8.0328 41.1241 39.7189 68.9628 107.7595 45.9711 10.4775 213.8504 14.6621 143.2660 31.5854 32.1886 238.4781 75.4534 18.8014 33.1612 49.1813 76.6333 111.4872 74.1306 81.6073 29.5915 90.3691 221.7156 28.9109 50.3076 87.6529 128.6562 102.9933 138.5243 58.9064
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0.8443 0.8463 0.8337 0.8539 0.8495 0.8569 0.8446 0.8559 0.8565 0.8500 0.7718 0.8379 0.8066 0.7945 0.8008 0.7833 0.3484 0.8552 0.8394 0.8365 0.6342 0.8008 0.8285 0.8233 0.8010 0.7967 0.3634 0.7976 0.7244 0.7838 0.8568 0.8377 0.4781 0.6792 0.8426 0.8192 0.3722 0.7698 0.6906 0.4243 0.3535 0.7212 0.5095 0.8451 0.6648 0.7089 0.1693 0.8494 0.6702 0.5267 0.8304 0.8457 0.8283 0.8034 0.5728 0.8224 0.8415 0.8442 0.7218 0.5216 0.1313 0.6465 0.3124 0.5807 0.8271 0.0288 0.5820 0.7409 0.6940 0.2849 0.2328 0.8324 0.6878 0.7647 0.2813 0.2675 0.7532 0.8475 0.6978 0.8559 0.8431 0.8449 0.8396 0.6111 0.8564 0.7961 0.7560 0.1183 0.6413 0.5492 0.7988 0.1525 0.8507 0.8506 0.2693 0.8423 0.8291 0.7390 0.7728 0.7842 0.5958 0.3610 0.3122 0.7079 0.8377 0.8050 0.6392 0.8453 0.3458 0.6409 0.6607 0.4502 0.8274 0.8358 0.8544 0.6333 0.5100 0.8428 0.5369 0.2770 0.8324 0.7020 0.4593 0.8282 0.5974 0.8130 0.7304 0.5924 0.8566 0.7869 0.8570 0.8568 0.6464 0.8427 0.7828 0.7449 0.3238 0.5969 0.8451 0.8256 0.7698 0.7716 0.7710 0.4054 0.2599 0.5188 0.6966 0.4695 0.7972 0.0765 0.2237 0.5489 0.0250 0.8549 0.8452 0.7603 0.8493 0.8122 0.6629 0.5922 0.8204 0.4270 0.7533 0.3552 0.7020 0.7944 0.2920 0.3561 0.2337 0.3810 0.7561
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
6 6 6 6 6 6 6 6 6 6 7 6 6 6 8 6 6 6 6 6 6 6 6 6 6 6 6 9 9 9 7 6 7 6 8 7 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 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 14.00307 12.00000 14.00307 12.00000 15.99491 14.00307 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
8978.7458 28686.8577 31319.7171
0.99992 -0.00419 0.01206 0.00418 0.99999 0.00084 -0.01206 -0.00079 0.99993
1
0.00965 0.00302 0.00277
0.20100 0.06291 0.05762
9.11 10.82 44.67 54.49 63.73 75.84 87.39 94.70 113.07 129.50 151.41 179.92 185.29 189.29 197.63 224.09 238.29 299.22 301.86 320.91 339.04 361.51 375.56 394.74 432.73 449.09 459.88 466.19 480.48 494.52 529.44 540.89 574.89 587.34 598.06 612.43 621.18 660.48 664.67 673.58 678.52 682.07 700.40 708.10 731.67 777.46 805.25 832.51 835.47 856.70 900.58 907.67 914.49 931.52 938.78 965.85 971.22 1005.56 1015.02 1046.69 1053.61 1077.72 1099.27 1131.06 1153.80 1196.93 1221.21 1229.13 1234.33 1265.04 1301.16 1328.52 1370.73 1381.65 1390.97 1411.66 1430.81 1461.84 1472.53 1476.06 1490.48 1494.11 1530.05 1542.67 1578.07 1583.18 1587.47 1605.45 1609.75 1627.92 1642.53 1669.50 1689.45 1705.61 1716.77 1722.18 1751.71 1797.54 1818.80 1832.52 1854.09 1868.61 1876.11 1895.52 1905.28 1909.18 1935.30 1953.64 1973.80 1979.65 1996.87 2029.03 2043.12 2063.92 2088.29 2092.54 2096.96 2122.42 2125.57 2136.57 2214.05 2229.06 2230.34 2245.53 2255.39 2255.96 2272.47 2305.45 2316.91 2334.91 2348.18 2351.97 2362.50 2371.45 2377.48 2387.52 2395.27 2446.95 2537.65 2556.13 2601.86 2628.24 2638.39 2646.94 2699.17 2839.28 2891.72 3691.78 4597.90 4600.32 4602.81 4612.36 4621.75 4669.77 4690.25 4697.02 4703.76 4714.60 4717.29 4722.73 4725.96 4811.28 4830.01 4860.93 4867.14 4879.10 4901.40 4910.32 5476.41 5597.38 5624.75
0.490842
0.520738
0.521682
0.426453
-1701.227367
-1701.197471
-1701.196527
-1701.291756
3.193996D-04
MUNgauss
RevisionA2.0
retrievium
13-Jan-2020
DUDE Cc1ccc2c(c1)[C@]3(C(=C(N(C4=C3C(=O)CC(C4)(C)C)c5ccc(cc5)C(F)(F)F)N)C#N)C(=O)N2 C01422436
RHF
6-31G(d)
(6D,10F)
C1
492.177311
|X|Y|Z|
57.970352 43.892654 114.572841
66.307068
24
|36.858105|
|12.601067|36.858105|
|7.541260|13.769072|36.858105|
|4.984754|7.829589|13.653519|36.858105|
|4.445826|6.869459|8.040341|13.886845|36.858105|
|5.034073|7.936188|6.940952|7.912428|13.696744|36.858105|
|7.542601|13.599858|7.967371|6.819840|7.957148|13.907396|36.858105|
|3.694184|4.916669|4.482837|5.169773|8.027512|12.493847|7.235943|36.858105|
|3.365270|4.196509|3.774980|4.144459|5.625258|7.569160|5.799484|12.561001|36.858105|
|2.988193|3.490392|3.087954|3.252331|4.088823|5.260778|4.616281|7.529698|14.154117|36.858105|
|2.835806|3.232483|2.835586|2.944623|3.633209|4.658444|4.234971|6.521336|7.987561|13.719208|53.358707|
|2.983364|3.467731|3.044712|3.189284|4.007890|5.230605|4.623569|7.560569|6.851565|7.909194|18.525752|36.858105|
|3.348425|4.140657|3.683219|4.000620|5.391978|7.423346|5.781560|12.558844|7.701456|6.826390|10.834591|14.233121|36.858105|
|3.195296|3.904538|3.609184|3.947957|5.064584|6.091688|4.992429|7.481372|4.962344|4.462341|6.921470|7.799502|12.857419|36.858105|
|3.298601|4.163188|4.068385|4.663837|6.006898|6.423140|5.055793|6.844793|4.465148|3.817388|5.493758|5.407280|8.168348|15.912126|73.516695|
|2.728508|3.128099|2.890010|3.050337|3.627184|4.171765|3.767455|4.840412|3.779329|3.693047|6.070249|6.615944|7.399662|12.605170|14.366829|36.858105|
|2.691089|2.967452|2.648502|2.697369|3.142174|3.746490|3.596259|4.311235|3.668047|3.843120|6.812081|7.412925|6.515834|7.499952|9.387904|12.463592|36.858105|
|2.619444|2.912883|2.586357|2.660365|3.172437|3.875044|3.635513|4.850139|4.438261|5.066999|10.505240|12.565165|7.606198|6.580264|8.275952|7.687260|12.394997|36.858105|
|3.130306|3.336716|2.864758|2.794848|3.160887|3.855947|4.009386|4.059209|3.483786|3.595085|6.058236|5.962825|5.590607|6.132348|8.501803|7.555407|12.387578|7.524833|36.858105|
|2.249251|2.414316|2.200856|2.235933|2.528760|2.883613|2.797341|3.235406|2.884769|3.057027|5.224583|4.918730|4.354549|4.920593|6.993684|7.596221|12.421589|7.631326|7.632013|36.858105|
|2.433324|2.661929|2.360617|2.415618|2.854106|3.465407|3.294845|4.375042|5.177847|7.825792|18.070517|7.715218|5.147793|3.884215|5.667438|3.739940|4.429987|6.796235|3.952103|3.723693|36.858105|
|2.437360|2.574774|2.248385|2.240166|2.570849|3.111943|3.119274|3.643761|4.236877|5.868165|10.603887|5.609219|4.134064|3.296023|4.937647|3.230892|3.925585|5.403840|3.799405|3.413693|13.722108|36.858105|
|2.097632|2.179079|1.935840|1.927384|2.169222|2.539593|2.549924|2.899533|3.289010|4.242164|6.989877|4.124283|3.232995|2.724615|4.174765|2.748694|3.302904|4.263377|3.186279|3.069944|7.947404|13.794574|36.858105|
|1.866661|1.957918|1.773964|1.791795|2.018602|2.312209|2.268338|2.675820|3.003036|3.794137|6.171056|3.754228|2.984983|2.566472|3.954882|2.627561|3.090523|3.973472|2.855080|2.976085|6.885011|7.942646|13.716382|36.858105|
|1.864235|1.994613|1.826841|1.877031|2.146150|2.445098|2.332000|2.926120|3.286555|4.194996|6.984538|4.218459|3.301971|2.812535|4.296291|2.875199|3.312347|4.426771|2.913612|3.167739|7.935573|6.865586|7.927867|13.776294|36.858105|
|2.092067|2.286478|2.084027|2.163993|2.535267|2.946231|2.746279|3.702807|4.239861|5.761295|10.626976|5.867256|4.288560|3.459251|5.147323|3.444980|3.944665|5.757611|3.362386|3.550978|13.763815|7.930851|6.875718|7.949944|13.731643|36.858105|
|1.647787|1.706760|1.560926|1.570730|1.741183|1.957094|1.934041|2.208906|2.432975|2.931425|4.543928|2.913221|2.424036|2.154181|3.386329|2.227210|2.576153|3.113981|2.417399|2.568430|4.459839|5.053444|7.630910|12.656729|7.591979|5.037610|36.858105|
|1.599691|1.644865|1.503751|1.506240|1.659242|1.860370|1.851391|2.076043|2.226730|2.623978|4.124802|2.761681|2.312937|2.103506|3.305727|2.225259|2.613683|3.071965|2.464856|2.694493|3.896599|4.406221|6.184987|8.143105|5.823772|4.265920|14.388456|97.533100|
|1.519455|1.584145|1.466849|1.489377|1.649939|1.828096|1.783995|2.071595|2.276544|2.699392|4.091054|2.652624|2.249480|2.017904|3.202153|2.082475|2.348335|2.804824|2.169232|2.360222|3.858966|4.027185|5.292460|8.123524|6.963676|4.629031|14.418633|20.131214|97.533100|
|1.622074|1.661870|1.516869|1.514477|1.663206|1.865188|1.865661|2.068288|2.299083|2.744034|4.103377|2.614956|2.220799|1.972040|3.136653|2.009318|2.298807|2.718512|2.217208|2.262915|3.872442|4.594386|6.800625|8.141943|5.399105|4.078088|14.403506|20.161871|20.091538|97.533100|
|2.680442|3.009355|2.693202|2.788401|3.329481|4.020962|3.738447|5.009583|7.969297|13.860541|11.096248|5.249698|4.579387|3.378600|5.326555|2.947091|3.114221|3.968835|2.975061|2.612379|7.097352|5.998731|4.550430|4.052316|4.346355|5.566412|3.139203|6.113750|6.512282|6.793193|53.358707|
|3.259734|4.038911|3.801469|4.228559|5.444316|6.300101|5.089025|7.512251|13.305760|8.031231|7.065301|4.523929|4.997397|3.765091|6.437692|2.991907|2.883641|3.330226|2.799429|2.372375|3.968031|3.460291|2.830847|2.615745|2.815162|3.436924|2.185053|4.479573|4.661241|4.740808|9.415694|36.858105|
|3.047673|3.680823|3.590362|3.976462|4.750187|5.000580|4.290215|5.333260|7.411128|5.621701|5.470104|3.562153|3.869116|3.116622|5.463393|2.552976|2.461287|2.779076|2.411615|2.077810|3.300625|2.975749|2.519765|2.350342|2.501056|2.948706|2.007393|4.114410|4.320654|4.410532|7.551270|16.721917|53.358707|
|3.100856|4.053515|4.120608|5.262679|8.324325|8.006741|5.097495|12.248530|7.613165|5.294465|6.383825|5.284835|7.558354|6.372020|12.146508|4.342308|3.623335|3.909802|3.293541|2.884824|3.511587|2.937019|2.453150|2.345520|2.606653|3.216205|1.982410|4.202230|4.278751|4.167896|5.453755|6.322949|6.828895|36.858105|
|2.603248|3.236896|3.289070|4.034908|5.543958|5.380701|3.905692|7.778157|6.189969|4.874720|6.092150|4.955442|6.358132|5.632277|10.248097|4.195908|3.488576|3.835817|3.040712|2.867756|3.484172|2.850145|2.423440|2.377643|2.707509|3.351835|2.014723|4.258414|4.411528|4.192505|5.202524|5.294786|5.984890|15.985673|73.516695|
|3.364117|4.586877|5.128137|7.619737|13.648744|8.369871|5.338566|8.091852|5.724534|4.141837|4.991537|4.038766|5.438423|5.131840|10.883704|3.676882|3.094799|3.188536|2.949169|2.525788|2.885179|2.522577|2.145969|2.039771|2.216335|2.641917|1.757738|3.750722|3.794750|3.744084|4.570306|5.555224|6.585623|14.008384|14.835804|53.358707|
|17.533072|8.820379|5.875347|4.273160|3.977224|4.602124|6.687138|3.530460|3.169750|2.890247|3.863884|3.048427|3.378335|3.303886|5.978682|2.891197|2.896597|2.748437|3.507815|2.418979|2.459269|2.485775|2.143416|1.899231|1.886541|2.108865|1.678637|3.701758|3.463558|3.705769|3.505749|2.966858|3.721797|2.942373|4.450622|4.233421|0.500000|
|17.536554|8.823817|5.868105|4.273204|3.979463|4.606829|6.709780|3.542821|3.407164|3.084645|3.925901|2.934924|3.195290|2.946443|5.270790|2.544976|2.567787|2.565327|2.968085|2.160758|2.502819|2.552827|2.195539|1.932250|1.909883|2.132805|1.705253|3.703479|3.521217|3.812580|3.859475|3.359671|4.320119|2.935926|4.430706|4.239489|0.302130|0.500000|
|17.576328|8.838489|7.241025|4.733055|3.980507|4.182337|5.560360|3.169388|2.904561|2.588983|3.342876|2.574920|2.877147|2.806063|5.242982|2.434540|2.375515|2.298319|2.715957|2.028871|2.141795|2.141949|1.875511|1.688152|1.687598|1.875006|1.507202|3.300059|3.148365|3.347204|3.212165|2.881309|3.758796|2.785158|4.218668|4.194984|0.302093|0.302087|0.500000|
|7.002316|8.953539|17.704934|8.942837|5.703382|4.986200|5.656143|3.578769|3.128422|2.642812|3.336448|2.606590|3.059564|3.048357|6.065875|2.536219|2.344849|2.274183|2.543022|1.993637|2.091788|2.014971|1.761971|1.621284|1.659947|1.867559|1.442752|3.139024|3.058805|3.170036|3.216763|3.198003|4.228086|3.387365|5.000322|5.622154|0.152420|0.152089|0.222970|0.500000|
|4.072587|5.598618|8.852262|17.719443|8.899479|5.620645|4.924560|4.223285|3.518944|2.834557|3.515470|2.775338|3.396695|3.427756|7.239905|2.737039|2.408923|2.368300|2.461707|2.042753|2.163943|2.007921|1.753422|1.647818|1.730124|1.974669|1.458370|3.150896|3.134690|3.166475|3.380224|3.673372|4.868924|4.620652|6.646343|9.188714|0.099091|0.099092|0.112795|0.215394|0.500000|
|6.999277|8.861655|5.652905|4.921496|5.648872|8.959876|17.679605|6.532254|5.768825|5.009945|6.479884|5.107511|5.890762|4.856197|8.109511|3.840809|3.900283|4.021246|4.541895|2.993580|3.704878|3.606654|2.879894|2.496737|2.527241|2.979660|2.106607|4.540561|4.308893|4.582131|5.522941|4.812949|5.463274|4.437474|6.345271|5.890934|0.189433|0.190867|0.140285|0.124156|0.106993|0.500000|
|2.706876|3.061728|2.866904|2.994371|3.434304|3.811004|3.540338|4.104525|3.238532|3.115398|4.910758|4.907910|5.563721|9.024589|13.558416|17.585818|8.735410|5.528927|6.948449|6.748488|3.113915|2.787959|2.424237|2.316212|2.489388|2.890283|2.006806|4.552250|4.235464|4.116207|3.485494|2.664424|3.157346|3.809907|6.475744|4.648166|0.080714|0.069062|0.067936|0.070856|0.075458|0.098687|0.500000|
|2.400339|2.743164|2.594728|2.790389|3.314558|3.671360|3.245686|4.399549|3.558928|3.513867|5.730992|5.909888|6.299760|9.083054|12.015271|17.493350|8.833321|6.920715|5.499773|7.099352|3.633693|3.069084|2.664134|2.622371|2.943326|3.522961|2.234452|5.014567|4.776414|4.487937|3.874938|2.861440|3.351216|4.235790|7.765819|4.789302|0.069557|0.062805|0.060322|0.063899|0.070980|0.090799|0.302921|0.500000|
|2.305571|2.561707|2.333164|2.437494|2.893144|3.393468|3.115653|4.293532|4.031540|4.615531|9.087822|8.982963|6.203944|5.636819|7.471354|6.767126|8.829531|17.519696|5.511184|7.303254|6.475476|4.916409|4.123528|4.121731|4.900672|6.438066|3.242256|7.188741|6.734396|6.205545|5.100795|3.113732|3.585467|3.718868|6.830671|4.092563|0.066447|0.062822|0.057099|0.057544|0.061315|0.092956|0.138736|0.199496|0.500000|
|2.557999|2.762404|2.421830|2.439768|2.842998|3.467816|3.396831|4.142541|4.036258|4.816107|9.988177|8.922232|5.771552|4.954418|6.730635|5.578245|8.868648|17.605443|7.129016|6.817948|7.701557|6.789227|5.259630|4.668365|4.920756|6.111039|3.564077|8.007370|6.956776|6.949595|5.434013|3.119035|3.592847|3.334030|5.769872|3.816917|0.075035|0.070768|0.062269|0.059752|0.060470|0.107488|0.123742|0.140572|0.305160|0.500000|
|3.042251|3.192474|2.792024|2.705984|2.979383|3.497457|3.659947|3.539845|3.012533|3.031436|4.876188|4.584298|4.587412|5.430816|8.153228|6.878846|8.784641|5.480455|17.553708|6.967654|3.230922|3.130484|2.716801|2.477525|2.522903|2.845115|2.153105|4.980055|4.397816|4.477183|3.489758|2.499609|2.982236|3.003162|4.945535|3.769439|0.096224|0.078651|0.074651|0.069905|0.066965|0.111109|0.207684|0.141883|0.123413|0.143568|0.500000|
|2.937297|3.027719|2.588266|2.495877|2.781369|3.365991|3.574043|3.539725|3.215365|3.437061|5.838742|5.270481|4.616170|4.668737|6.745979|5.490444|8.763092|6.836924|17.538032|6.984759|4.060278|4.133093|3.517642|3.080381|3.045089|3.420380|2.615487|6.094305|5.178597|5.407211|4.000727|2.626225|3.109790|2.888501|4.795805|3.540017|0.091533|0.079274|0.071067|0.064653|0.061526|0.115132|0.141070|0.123087|0.143145|0.212988|0.301865|0.500000|
|3.775595|4.095633|3.375331|3.237463|3.701080|4.757289|5.158475|4.814418|4.015826|4.031477|6.601798|6.523563|6.569064|6.780932|9.465987|6.820602|8.683390|6.789444|17.575439|5.500228|4.055430|3.899540|3.169805|2.789313|2.840977|3.333709|2.343562|5.273528|4.734434|4.904357|4.433566|3.175171|3.674677|3.686952|5.824578|4.527875|0.118764|0.098558|0.088203|0.081473|0.077257|0.169378|0.172376|0.138624|0.137765|0.176555|0.302310|0.301587|0.500000|
|2.060130|2.231008|2.068042|2.134490|2.425805|2.715382|2.573836|3.113677|2.803552|2.977178|5.049547|4.648665|4.122901|4.621478|6.676870|6.929987|8.741502|6.930701|5.507809|17.545262|3.650971|3.247768|2.971356|2.986315|3.282579|3.668598|2.591048|6.094710|5.467339|5.065983|3.485904|2.320724|2.776647|2.869525|5.224071|3.381281|0.060635|0.055138|0.052037|0.052156|0.054714|0.075284|0.166878|0.214100|0.219393|0.165784|0.141701|0.141547|0.122270|0.500000|
|2.168100|2.283445|2.063479|2.070463|2.318448|2.656340|2.630110|2.951525|2.726496|2.959468|5.087279|4.510970|3.842281|4.058153|5.906840|5.501948|8.757086|6.937807|6.937087|17.536340|3.822481|3.653903|3.369277|3.244583|3.353083|3.633903|2.818724|6.824538|5.720408|5.550724|3.524899|2.263827|2.714972|2.600864|4.580863|3.124066|0.064939|0.058605|0.054314|0.052239|0.052568|0.079530|0.138533|0.143360|0.182650|0.202885|0.171260|0.209321|0.141081|0.301260|0.500000|
|2.210523|2.351424|2.161389|2.183440|2.425644|2.715755|2.662505|2.944808|2.594037|2.683041|4.402709|4.047117|3.815114|4.515438|6.766613|6.875377|8.782082|5.517823|6.981569|17.550874|3.101469|2.904016|2.645380|2.557952|2.684843|2.957287|2.260753|5.354334|4.710352|4.555772|3.154951|2.177160|2.624397|2.676141|4.695229|3.271070|0.066626|0.058382|0.055895|0.054882|0.055776|0.078162|0.199614|0.174762|0.145508|0.140272|0.210241|0.173279|0.141528|0.301643|0.301741|0.500000|
|2.739340|2.851174|2.429862|2.374003|2.704024|3.342062|3.481658|3.770913|4.366383|5.833694|9.775956|5.454304|4.193608|3.333319|5.033988|3.203414|3.885834|5.052552|4.014996|3.295497|8.933675|17.742606|8.910772|5.642644|4.950268|5.651877|4.111848|8.402210|7.540035|8.895609|7.976520|3.583209|4.189764|2.951600|4.951966|3.513694|0.077951|0.080909|0.065927|0.060316|0.058491|0.116120|0.077816|0.082289|0.121018|0.173623|0.091422|0.122916|0.118753|0.084850|0.097503|0.079380|0.500000|
|2.048922|2.087536|1.849307|1.819334|2.016434|2.344887|2.401434|2.598093|2.911068|3.610176|5.669757|3.497136|2.849830|2.453990|3.817073|2.479883|2.963067|3.623137|2.961527|2.793109|5.652492|8.942301|17.740983|8.902443|5.643718|4.955311|7.082758|13.839821|10.875385|16.758231|5.308914|2.568744|3.163562|2.211540|3.850943|2.684253|0.058387|0.060046|0.051088|0.047142|0.046088|0.075588|0.061901|0.066235|0.095964|0.122633|0.071297|0.092267|0.081985|0.074226|0.085899|0.068237|0.214838|0.500000|
|1.701975|1.821200|1.689689|1.746749|1.985009|2.217923|2.101010|2.634262|2.910177|3.561638|5.670399|3.603707|2.937328|2.572630|3.988464|2.652284|2.977698|3.808069|2.598831|2.929051|5.650655|4.951233|5.640939|8.917975|17.756535|8.923264|7.011734|12.489069|17.700851|11.158981|5.007338|2.549498|3.129783|2.421802|4.547950|2.821324|0.047751|0.048201|0.043176|0.042900|0.045148|0.062315|0.064495|0.076904|0.120455|0.113087|0.063737|0.074658|0.069919|0.086312|0.085341|0.069859|0.107531|0.124087|0.500000|
|2.041468|2.265725|2.098803|2.219813|2.630303|3.003627|2.717193|3.885193|4.365217|5.639300|9.788364|5.890104|4.489590|3.650687|5.448205|3.603552|3.920006|5.595631|3.228252|3.525536|8.937510|5.646812|4.953968|5.648502|8.897095|17.723655|4.098397|8.071472|9.003195|7.648857|7.055552|3.532684|4.113349|3.516647|6.783950|3.839228|0.056855|0.057227|0.051104|0.052133|0.056617|0.079964|0.083168|0.106046|0.186748|0.149402|0.076945|0.088412|0.088913|0.104422|0.096708|0.081971|0.124409|0.107574|0.214782|0.500000|
|2.649152|2.988149|2.722829|2.840511|3.359684|3.926489|3.624596|4.704637|7.514673|9.504031|8.061506|4.325910|4.040460|3.082788|5.011445|2.664104|2.744846|3.353779|2.646335|2.330849|5.188374|4.606652|3.745631|3.420209|3.640666|4.423464|2.770760|5.435665|5.859742|6.096158|25.992379|8.151428|9.518201|3.949610|6.669812|4.635178|0.069465|0.078267|0.065457|0.066650|0.070813|0.105887|0.065355|0.071804|0.088842|0.092463|0.064595|0.072124|0.080656|0.063702|0.063822|0.058330|0.127963|0.092455|0.088924|0.119123|0.500000|
|2.373196|2.621326|2.374520|2.460422|2.895070|3.401772|3.177361|4.208786|5.957426|9.394226|10.174618|4.857116|4.081683|3.118220|4.891751|2.816061|3.016642|3.905849|2.827101|2.597281|7.976820|6.550571|5.193334|4.807206|5.296594|6.780900|3.613663|6.809183|7.543235|7.733876|26.040270|5.252410|6.089527|3.537898|6.236340|4.039480|0.064095|0.069304|0.058711|0.058641|0.061767|0.095442|0.067921|0.076892|0.106025|0.111121|0.067861|0.078595|0.083710|0.071644|0.072287|0.063560|0.161402|0.119267|0.122219|0.169042|0.319217|0.500000|
|2.985204|3.908239|4.532006|6.687797|8.952349|5.907839|4.270231|5.762958|4.504973|3.473209|4.265717|3.420951|4.381376|4.362547|9.387181|3.307060|2.771830|2.817808|2.627294|2.326184|2.552483|2.249043|1.948603|1.872994|2.036495|2.389597|1.633794|3.497063|3.555927|3.483100|3.977725|4.536386|5.700365|9.251563|13.055817|26.062464|0.077031|0.076736|0.077990|0.106685|0.189577|0.098970|0.087165|0.089940|0.075212|0.069306|0.069669|0.064825|0.080556|0.064195|0.058727|0.062116|0.063443|0.049979|0.053547|0.071259|0.082924|0.073227|0.500000|
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