Version2.1
2021-01-14T23:54:28Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
03-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE COc1ccc2=C(C[NH+]=c2c1)CCNC(=O)[C@H]3CCCN(C3)[C@@H]4[C@@H]5C(=NC=N5)[N-]C(=N4)Cl C64417286
RHF
6-31G(d)
(6D,7F)
COc1ccc2=C(C[NH+]=c2c1)CCNC(=O)[C@H]3CCCN(C3)[C@@H]4[C@@H]5C(=NC=N5)[N-]C(=N4)Cl
C01[X(C22H26Cl1N7O2)]
168
C1
536
COc1ccc2=C(C[NH+]=c2c1)CCNC(=O)[C@H]1CCCN(C1)[C@H]1N=C(Cl)[N-]C2=NC=N[C@H]12
COc1ccc2=C(C[NH+]=c2c1)CCNC(=O)[C@H]1CCCN(C1)[C@H]1N=C(Cl)[N-]C2=NC=N[C@H]12
COC1=CC2=[NH+]CC(=C2C=C1)CCNC(=O)[C@H]3CCCN(C3)[C@H]4N=C(Cl)[N-]C5=NC=N[C@H]45
InChIKey=KORDKAXLAADTCU-ADLFWFRXSA-N
InChI=1S/C22H26ClN7O2/c1-32-15-4-5-16-13(10-25-17(16)9-15)6-7-24-21(31)14-3-2-8-30(11-14)20-18-19(27-12-26-18)28-22(23)29-20/h4-5,9,12,14,18,20H,2-3,6-8,10-11H2,1H3,(H2,24,26,27,28,29,31)/t14-,18-,20+/m0/s1
InChI=1/C22H26ClN7O2/c1-32-15-4-5-16-13(10-25-17(16)9-15)6-7-24-21(31)14-3-2-8-30(11-14)20-18-19(27-12-26-18)28-22(23)29-20/h4-5,9,12,14,18,20H,2-3,6-8,10-11H2,1H3,(H2,24,26,27,28,29,31)/t14-,18-,20+/m0/s1/f/h24-25H
COc1ccc2=C(C[NH+]=c2c1)CCNC(=O)[C@H]3CCCN(C3)[C@@H]4[C@@H]5C(=NC=N5)[N-]C(=N4)Cl
C01[X(C22H26Cl1N7O2)]
168
C01
536
COc1ccc2=C(C[NH+]=c2c1)CCNC(=O)[C@H]1CCCN(C1)[C@H]1N=C(Cl)[N-]C2=NC=N[C@H]12
CO[C]1[CH]=[CH][C]2[C]([CH]1)[NH]CC=2CCNC(=O)[C@H]1CCC[N@](C1)[C@H]1N=[C]([N][C]2[N][CH][N][C@H]12)Cl
CO[C]1[CH][C]2NCC(=C2C=C1)CCNC(=O)[C@H]3CCCN(C3)[C@H]4N=C(Cl)[N][C]5[N][CH][N][C@H]45
InChIKey=YZSYNJYGROYDQL-ADLFWFRXSA-N
InChI=1S/C22H26ClN7O2/c1-32-15-4-5-16-13(10-25-17(16)9-15)6-7-24-21(31)14-3-2-8-30(11-14)20-18-19(27-12-26-18)28-22(23)29-20/h4-5,9,12,14,18,20,25H,2-3,6-8,10-11H2,1H3,(H,24,31)/t14-,18-,20+/m0/s1
InChI=1/C22H26ClN7O2/c1-32-15-4-5-16-13(10-25-17(16)9-15)6-7-24-21(31)14-3-2-8-30(11-14)20-18-19(27-12-26-18)28-22(23)29-20/h4-5,9,12,14,18,20,25H,2-3,6-8,10-11H2,1H3,(H,24,31)/t14-,18-,20+/m0/s1/f/h24H
3543.3188479935
-1838.5079324
1-A
15098.5721
120
416
536
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7.13096
22.0519 -2.3339 -1.3003
22.2131
|XX|YY|ZZ|XY|XZ|YZ|
-245.9544 -181.8012 -180.9495 17.4709 -23.0708 29.3930
|XX|YY|ZZ|XY|XZ|YZ|
-43.0527 21.1005 21.9522 17.4709 -23.0708 29.3930
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
563.8357 -18.8713 5.2421 126.8439 -77.0342 20.5127 56.5707 -4.7452 42.5431 15.5527
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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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16.3725 21.6750 31.0040 46.8585 71.3484 77.1970 81.2170 90.3773 107.1328 113.7740 126.4312 131.8125 156.2913 173.9511 195.3421 208.0044 212.9450 215.6464 245.6963 254.9487 261.6787 270.5624 302.6039 307.0116 317.3431 331.4249 337.1810 353.9138 362.5510 392.5887 412.5687 432.5316 440.9161 453.8497 492.1285 500.9307 505.3997 525.2135 533.0742 544.7539 565.6859 609.0284 613.9770 632.0202 641.5281 682.8251 695.1710 731.2903 734.1360 775.0928 780.0635 790.5901 815.3228 816.3255 834.1948 855.7594 876.2309 906.5913 916.3671 924.7370 941.4284 945.4883 959.8491 986.1552 989.3291 1010.2172 1016.3930 1031.0961 1045.4839 1053.0820 1058.0076 1071.1924 1097.7049 1107.5302 1109.7762 1116.8511 1133.3988 1137.6472 1145.8003 1162.3083 1165.5407 1178.7471 1188.1368 1197.1875 1207.5808 1235.3821 1249.2830 1260.6350 1272.2871 1279.0734 1291.8752 1293.2889 1300.8926 1303.6298 1324.4527 1325.1015 1337.9902 1352.2647 1366.5852 1370.7166 1381.5645 1390.6318 1399.5721 1401.7933 1421.6736 1426.7987 1451.5019 1465.2710 1476.8429 1479.4402 1487.9193 1491.6472 1501.4956 1511.7476 1522.5972 1525.7981 1533.7443 1541.8895 1547.0976 1560.3198 1578.3030 1586.1595 1598.4697 1617.9162 1631.2626 1631.7839 1632.8707 1637.9376 1644.4704 1649.1032 1650.1949 1654.4100 1656.1960 1670.2883 1684.8448 1691.4889 1769.5076 1780.4332 1801.9864 1831.2057 1863.8842 1944.3680 3040.6709 3091.4608 3146.5677 3151.8417 3174.3593 3205.6431 3210.2109 3213.9785 3221.3486 3221.9170 3239.7174 3243.7191 3252.6085 3263.2300 3263.6305 3269.7925 3319.4343 3327.9978 3336.4364 3340.3301 3340.9969 3364.4379 3397.9990 3420.9508 3433.8456 3876.9324
5.4743 5.9965 9.2941 4.9921 6.1571 3.8872 6.2148 5.6023 4.7154 4.9789 6.6326 4.2213 5.2235 3.8170 5.7862 3.3119 3.7300 2.8362 3.0452 1.3377 5.3885 3.0949 3.7189 4.2658 3.7258 2.6369 4.4878 3.7016 3.8329 4.3977 12.5078 3.0126 3.6022 2.7500 2.0913 2.2863 2.0272 2.6863 3.3268 3.3097 5.8264 2.9866 3.2691 4.4333 5.1744 4.1546 3.0783 5.2371 3.9879 8.7171 4.5658 4.9075 3.2475 7.1509 6.0158 4.4457 2.3994 1.6773 2.4467 1.9278 1.6679 2.4819 1.8140 3.0097 5.5707 3.0202 2.6920 4.0484 4.8874 2.5202 2.0918 1.8650 2.7132 1.3756 2.0872 3.1641 2.8430 1.9752 1.8095 2.7898 2.5380 2.8850 3.2412 2.0999 2.7403 2.4248 2.3121 2.6980 1.4511 1.4132 1.2690 1.9999 1.1391 1.9246 1.5595 1.5787 1.7920 1.9022 1.4369 1.7043 2.0403 1.6715 1.8342 1.3729 1.1859 1.4328 2.4754 2.1551 1.5100 1.4757 1.5701 1.5307 3.6647 1.3850 2.0323 1.5068 1.5569 2.2621 1.4771 1.6244 1.5305 2.0267 1.2677 1.7774 1.0928 1.1057 3.0755 1.3863 1.1248 1.0467 1.1430 1.2676 1.0983 1.1156 1.7481 3.2249 3.2326 5.8499 5.3705 12.0891 6.4489 9.1797 1.1064 1.0744 1.0772 1.0771 1.0838 1.0629 1.0841 1.0724 1.0649 1.0621 1.0321 1.1057 1.0696 1.0955 1.1014 1.1001 1.1095 1.0892 1.0887 1.0991 1.0944 1.1056 1.0903 1.0989 1.0936 1.0790
0.0009 0.0017 0.0053 0.0065 0.0185 0.0136 0.0242 0.0270 0.0319 0.0380 0.0625 0.0432 0.0752 0.0680 0.1301 0.0844 0.0997 0.0777 0.1083 0.0512 0.2174 0.1335 0.2006 0.2369 0.2211 0.1707 0.3006 0.2732 0.2968 0.3993 1.2544 0.3321 0.4126 0.3337 0.2984 0.3380 0.3051 0.4366 0.5570 0.5787 1.0985 0.6527 0.7261 1.0434 1.2547 1.1413 0.8765 1.6501 1.2663 3.0855 1.6369 1.8072 1.2719 2.8076 2.4665 1.9182 1.0854 0.8122 1.2105 0.9713 0.8710 1.3072 0.9847 1.7245 3.2125 1.8160 1.6385 2.5359 3.1475 1.6467 1.3796 1.2609 1.9262 0.9941 1.5146 2.3253 2.1517 1.5062 1.3997 2.2205 2.0314 2.3617 2.6958 1.7732 2.3544 2.1803 2.1261 2.5262 1.3839 1.3622 1.2478 1.9709 1.1358 1.9270 1.6117 1.6332 1.8901 2.0495 1.5811 1.8867 2.2944 1.9045 2.1168 1.5895 1.4122 1.7186 3.0727 2.7262 1.9404 1.9030 2.0481 2.0067 4.8678 1.8649 2.7760 2.0668 2.1578 3.1686 2.0830 2.3300 2.2463 3.0043 1.9084 2.7412 1.7133 1.7347 4.8314 2.1912 1.7922 1.6771 1.8339 2.0441 1.7750 1.8337 2.9238 5.4363 5.9635 10.9257 10.2746 23.8847 13.2000 20.4473 6.0269 6.0501 6.2835 6.3041 6.4345 6.4351 6.5822 6.5269 6.5105 6.4959 6.3822 6.8544 6.6671 6.8733 6.9121 6.9300 7.2028 7.1076 7.1407 7.2251 7.1977 7.3733 7.4176 7.5770 7.5978 9.5553
2.8819 1.5612 0.3507 4.5027 4.9693 2.3774 3.8407 2.2836 9.5365 6.5396 15.1262 8.6861 0.7148 2.5201 0.9182 4.9623 11.0914 5.2939 0.7277 1.7418 10.7433 0.5872 5.0142 1.9961 14.2223 6.1712 0.2657 2.9799 19.5908 20.5912 3.1007 15.7934 1.9513 6.6128 64.1578 22.9527 32.6205 1.4285 6.5098 5.6209 1.7122 4.6683 30.9844 4.4150 38.2512 5.7770 7.4231 20.0085 11.4885 19.4555 13.9817 6.9981 6.3248 17.0559 9.7838 77.4968 9.6658 1.0762 5.7067 90.6088 10.0004 5.7429 11.8891 7.2991 153.9908 12.1402 29.4876 86.7063 64.0382 6.0303 15.6948 1.3136 8.6403 24.0367 73.2390 12.7593 31.4994 10.6514 5.2326 44.2591 191.4584 14.3377 557.8890 25.5636 64.8512 148.5705 68.3293 450.1114 55.6006 33.4447 2.7292 83.8622 6.4400 25.4784 8.5668 21.7743 36.3251 80.8396 30.7946 4.4675 182.7529 99.1849 249.9903 61.6429 10.1594 30.4805 225.3387 65.2329 2.2219 22.5496 20.9617 20.1942 158.8045 10.1643 16.5441 29.8948 16.0209 168.0931 72.7172 17.5529 17.5727 312.8342 62.3077 60.6257 20.4205 2.3125 358.1364 83.7315 4.8362 10.9766 5.6470 83.8614 2.7223 17.0447 246.4103 281.0299 54.6722 453.1600 50.3362 748.5867 514.8346 207.7084 3157.0548 54.9534 36.2197 62.8956 39.7325 32.4484 17.7700 0.9896 73.1447 21.0680 30.2228 34.9089 66.9280 33.6685 22.4920 57.4995 24.0739 2.1809 7.8180 4.3749 96.6707 22.2771 1.1425 1.7472 1.9889 42.6122
3.4233 4.5830 1.4885 1.0539 1.5307 2.2207 0.2721 0.8887 0.5824 1.8421 0.8470 2.0338 1.4289 0.3442 1.4691 0.3867 1.0388 0.9395 0.5179 0.3043 2.1602 2.5396 1.2022 1.1106 0.7456 0.2189 1.0937 1.6713 0.3787 0.5037 16.7113 0.5843 2.5310 2.3786 3.5945 3.9669 3.9240 1.7928 1.3254 2.7144 1.7984 2.6326 2.5342 5.9703 2.0774 1.8240 1.9478 2.2313 0.7392 1.7723 5.0875 5.6328 4.1193 7.1724 1.6234 22.9132 4.8584 4.1100 1.0257 4.4524 5.4789 7.3436 0.4852 10.4222 6.6319 6.6556 9.5094 3.4119 6.3827 2.2111 4.4790 5.6565 1.0448 5.3671 11.7614 6.4037 24.5614 14.7101 2.7289 3.3099 5.4264 4.3293 31.1357 6.7232 7.3151 8.4837 8.7969 21.7676 4.1353 5.0762 4.1584 2.8109 7.3272 8.4721 2.6005 2.7795 11.0863 2.8020 6.5824 3.6028 0.7428 1.6603 39.1081 18.6434 10.2628 3.1436 10.0403 16.6191 4.6022 14.6473 4.0929 31.7840 16.6782 11.1688 21.8323 6.7386 39.4232 36.9508 2.8906 3.0431 3.7919 29.9935 99.7786 2.9442 15.3762 20.5256 44.4010 8.7882 9.8165 22.4641 7.1371 11.3368 7.7436 5.5313 2.7875 173.0866 42.4300 26.0875 14.8146 24.4767 73.2971 3.0317 628.8654 25.4583 36.0391 88.7775 21.9944 64.9830 34.0980 146.6190 164.7099 154.7469 99.3793 82.6629 243.3743 52.8548 82.2021 25.6676 29.9392 117.2776 70.7258 31.7216 131.9917 142.6175 44.5555 159.1277 56.2165 37.4130
0.7497 0.7157 0.7303 0.7346 0.6855 0.7476 0.7164 0.7262 0.7479 0.7498 0.6470 0.7409 0.6176 0.2295 0.5180 0.4070 0.7444 0.3369 0.4157 0.3649 0.3604 0.4011 0.6109 0.0944 0.7353 0.7315 0.3285 0.6759 0.6426 0.3992 0.3666 0.3567 0.1075 0.5407 0.5073 0.2288 0.3579 0.3450 0.6970 0.6520 0.6562 0.4874 0.2111 0.3644 0.7071 0.0647 0.1759 0.2953 0.4124 0.4801 0.1951 0.2154 0.7407 0.1630 0.7433 0.5262 0.2392 0.7462 0.5264 0.6452 0.2071 0.2359 0.3340 0.1898 0.4929 0.7200 0.7238 0.1996 0.1440 0.7372 0.6610 0.4351 0.5347 0.2675 0.4209 0.0634 0.3148 0.6190 0.6862 0.4494 0.3579 0.5038 0.7498 0.6451 0.5969 0.7344 0.5947 0.5464 0.6489 0.4457 0.7474 0.7436 0.7306 0.4828 0.4969 0.0633 0.6656 0.2727 0.4144 0.4902 0.3730 0.6719 0.5880 0.2281 0.7403 0.7488 0.1190 0.3549 0.1839 0.6349 0.6279 0.3137 0.7471 0.7498 0.2857 0.5773 0.2240 0.5599 0.1255 0.5652 0.4670 0.7303 0.4941 0.1670 0.7383 0.7213 0.6747 0.6410 0.7499 0.7361 0.6845 0.7395 0.7499 0.7153 0.3036 0.2254 0.4596 0.0574 0.6523 0.4483 0.2622 0.3184 0.4100 0.3361 0.5940 0.0742 0.2191 0.5266 0.7186 0.3319 0.0822 0.1714 0.0274 0.6664 0.1961 0.3690 0.7476 0.6513 0.7494 0.3541 0.2469 0.7484 0.3126 0.4895 0.6395 0.2305 0.2401 0.2347
0.8569 0.8343 0.8442 0.8470 0.8134 0.8555 0.8347 0.8414 0.8557 0.8570 0.7857 0.8512 0.7636 0.3733 0.6825 0.5785 0.8535 0.5040 0.5873 0.5347 0.5299 0.5725 0.7584 0.1724 0.8475 0.8449 0.4945 0.8066 0.7824 0.5706 0.5365 0.5259 0.1941 0.7019 0.6731 0.3724 0.5271 0.5130 0.8214 0.7893 0.7924 0.6554 0.3487 0.5342 0.8284 0.1215 0.2991 0.4560 0.5840 0.6487 0.3265 0.3544 0.8510 0.2803 0.8528 0.6895 0.3860 0.8547 0.6897 0.7844 0.3431 0.3818 0.5007 0.3191 0.6604 0.8372 0.8397 0.3327 0.2518 0.8487 0.7959 0.6064 0.6968 0.4221 0.5924 0.1193 0.4788 0.7646 0.8139 0.6201 0.5271 0.6700 0.8570 0.7843 0.7476 0.8469 0.7458 0.7067 0.7870 0.6166 0.8555 0.8529 0.8443 0.6512 0.6639 0.1191 0.7992 0.4285 0.5860 0.6579 0.5433 0.8038 0.7405 0.3715 0.8508 0.8564 0.2127 0.5238 0.3107 0.7767 0.7714 0.4776 0.8552 0.8570 0.4444 0.7320 0.3661 0.7179 0.2229 0.7222 0.6366 0.8441 0.6614 0.2863 0.8494 0.8381 0.8058 0.7812 0.8571 0.8480 0.8127 0.8503 0.8571 0.8340 0.4658 0.3678 0.6297 0.1086 0.7896 0.6191 0.4155 0.4831 0.5816 0.5031 0.7453 0.1382 0.3594 0.6899 0.8363 0.4984 0.1518 0.2926 0.0534 0.7998 0.3279 0.5391 0.8556 0.7889 0.8567 0.5230 0.3961 0.8561 0.4763 0.6573 0.7801 0.3746 0.3873 0.3802
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 8 6 6 6 6 6 6 7 1 6 6 6 6 7 6 8 6 1 6 6 6 7 6 6 1 6 1 6 7 6 7 7 6 7 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 14.00307 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
9286.2012 21681.8347 24505.4939
0.99998 0.00236 -0.00529 -0.00221 0.99962 0.02744 0.00535 -0.02742 0.99961
1
0.00933 0.00399 0.00353
0.19435 0.08324 0.07365
23.56 31.19 44.61 67.42 102.65 111.07 116.85 130.03 154.14 163.70 181.91 189.65 224.87 250.28 281.05 299.27 306.38 310.27 353.50 366.81 376.50 389.28 435.38 441.72 456.59 476.85 485.13 509.20 521.63 564.85 593.59 622.32 634.38 652.99 708.06 720.73 727.16 755.67 766.97 783.78 813.90 876.26 883.38 909.34 923.02 982.43 1000.20 1052.16 1056.26 1115.19 1122.34 1137.48 1173.07 1174.51 1200.22 1231.25 1260.70 1304.38 1318.45 1330.49 1354.51 1360.35 1381.01 1418.86 1423.42 1453.48 1462.36 1483.52 1504.22 1515.15 1522.24 1541.21 1579.35 1593.49 1596.72 1606.90 1630.71 1636.82 1648.55 1672.30 1676.95 1695.95 1709.46 1722.49 1737.44 1777.44 1797.44 1813.77 1830.54 1840.30 1858.72 1860.75 1871.69 1875.63 1905.59 1906.53 1925.07 1945.61 1966.21 1972.16 1987.76 2000.81 2013.67 2016.87 2045.47 2052.85 2088.39 2108.20 2124.85 2128.58 2140.78 2146.15 2160.32 2175.07 2190.68 2195.28 2206.72 2218.44 2225.93 2244.95 2270.83 2282.13 2299.84 2327.82 2347.02 2347.77 2349.34 2356.63 2366.03 2372.69 2374.26 2380.33 2382.90 2403.17 2424.12 2433.68 2545.93 2561.65 2592.66 2634.70 2681.71 2797.51 4374.85 4447.92 4527.21 4534.80 4567.20 4612.21 4618.78 4624.20 4634.80 4635.62 4661.23 4666.99 4679.78 4695.06 4695.64 4704.50 4775.93 4788.25 4800.39 4805.99 4806.95 4840.68 4888.96 4921.99 4940.54 5578.04
0.511606
0.537541
0.538485
0.453894
-1837.996326
-1837.970392
-1837.969448
-1838.054038
2.837163D-04
MUNgauss
RevisionA2.0
retrievium
14-Jan-2021
DUDE COc1ccc2=C(C[NH+]=c2c1)CCNC(=O)[C@H]3CCCN(C3)[C@@H]4[C@@H]5C(=NC=N5)[N-]C(=N4)Cl C64417286
RHF
6-31G(d)
(6D,10F)
C1
455.183651
|X|Y|Z|
44.335333 58.838468 98.339551
63.539899
28
|36.858105|
|13.456794|73.516695|
|8.030730|25.805498|36.858105|
|5.220155|14.682558|13.036417|36.858105|
|3.975032|9.551864|7.823810|14.290037|36.858105|
|3.764145|8.281048|6.835326|7.959938|13.175140|36.858105|
|3.024206|6.263945|4.649248|5.154149|7.429018|14.164399|36.858105|
|2.957551|5.797021|4.172157|4.126156|5.093864|8.271044|12.706684|36.858105|
|3.673656|7.071215|5.274034|4.666455|5.283325|8.395601|8.224976|13.218655|53.358707|
|3.621035|6.602505|4.647776|3.955509|4.229906|5.888957|5.831218|8.787679|24.941669|0.500000|
|4.514045|9.391318|8.066469|6.827083|7.633495|13.098548|8.438229|8.465080|19.835938|0.255220|36.858105|
|6.763613|14.273186|13.950113|7.672722|6.587474|7.615423|5.306223|5.249851|10.626091|0.189924|13.517847|36.858105|
|2.502645|5.133724|3.580348|4.131002|5.751241|7.378736|12.707826|7.284836|6.925244|0.114477|5.108548|3.806324|36.858105|
|2.396346|4.888688|3.322178|3.821729|5.019461|5.738633|7.570896|5.433889|5.782086|0.101590|4.333368|3.446913|12.278894|36.858105|
|2.447489|4.869983|3.287499|3.553751|4.367584|5.231233|6.615918|5.702386|6.220329|0.113998|4.432954|3.543211|7.566977|13.167727|53.358707|
|2.748136|5.467334|3.685603|3.883257|4.542523|5.246083|5.718382|5.112784|6.342352|0.119818|4.735008|3.956327|5.517780|7.746222|18.943033|36.858105|
|3.092788|6.380221|4.354058|4.773785|5.536413|5.843201|5.629682|4.667656|6.170966|0.114037|5.072107|4.421827|5.228525|6.914964|11.584793|15.851868|73.516695|
|2.613198|4.966114|3.227783|3.196911|3.510054|4.043019|4.319456|4.398998|5.770596|0.118418|4.063618|3.566859|4.045013|4.990145|10.569973|12.515005|14.125091|36.858105|
|2.278407|4.297287|2.751827|2.756910|3.043685|3.475558|3.843559|3.963476|4.990501|0.102716|3.435090|3.013898|3.802047|4.747804|10.023938|8.865950|10.548412|17.523612|0.500000|
|2.656835|4.975117|3.105646|3.034518|3.164320|3.416334|3.420184|3.401492|4.723735|0.098327|3.491847|3.305950|3.204343|3.848686|6.946175|7.557683|11.996279|12.435408|0.245598|36.858105|
|2.464825|4.441266|2.700014|2.561152|2.616680|2.839488|2.850310|2.964568|4.198240|0.090966|3.011749|2.919843|2.654435|3.031761|5.232321|4.927814|7.912592|7.565556|0.187877|12.462090|36.858105|
|2.661153|4.669464|2.852971|2.606860|2.642781|2.954717|2.954933|3.232077|4.764400|0.108630|3.302647|3.220985|2.650213|2.888775|4.927888|4.467237|7.180065|6.538839|0.158412|7.557553|12.483924|36.858105|
|2.582347|4.605463|2.903634|2.678185|2.803132|3.278402|3.421927|3.947867|5.661784|0.132172|3.684124|3.387188|3.039967|3.274400|5.811184|5.056483|7.549718|7.747723|0.194232|6.596089|7.845696|13.123958|53.358707|
|2.828172|5.229885|3.440031|3.225542|3.489838|4.262355|4.545586|5.246094|7.336033|0.163721|4.733525|4.080104|3.910272|4.284204|8.210367|7.668082|10.500309|12.337040|0.247197|7.542297|6.607974|7.936308|18.044799|36.858105|
|2.483595|4.334119|2.712379|2.461099|2.560590|3.025600|3.173218|3.853050|5.639997|0.139472|3.501692|3.232595|2.786535|2.856430|4.804177|3.878303|6.009087|5.049241|0.133753|4.395784|5.060102|7.675746|17.777372|7.811369|36.858105|
|2.313286|4.098157|2.593615|2.397894|2.547781|3.061672|3.334385|4.189061|5.795528|0.140970|3.471732|3.088030|2.964758|3.000360|5.061109|3.872260|5.853740|4.862539|0.135197|3.970286|4.301431|5.672216|12.658822|7.262290|17.459221|0.500000|
|2.854718|4.838480|3.020072|2.630118|2.676619|3.183751|3.219588|3.992960|6.422304|0.173055|3.924381|3.747614|2.714867|2.678047|4.309897|3.477987|5.674028|4.135785|0.104641|3.737587|4.083222|5.909901|10.129729|6.130042|12.419602|0.247617|36.858105|
|3.109239|5.137523|3.135187|2.675948|2.654029|3.070294|3.001450|3.550021|5.827804|0.150838|3.799153|3.841219|2.537471|2.535499|4.043393|3.365004|5.659031|4.005361|0.099080|3.866923|4.340559|6.559799|9.386080|5.617874|8.888417|0.174759|17.463167|0.500000|
|2.482383|4.157138|2.537448|2.236316|2.267848|2.644413|2.693765|3.300351|5.108718|0.130595|3.167367|3.061293|2.331298|2.268853|3.539139|2.755823|4.542021|3.166238|0.083493|2.916478|3.205962|4.272005|6.787457|4.215367|7.716967|0.191033|12.521657|0.249414|36.858105|
|2.542869|4.239358|2.594637|2.270064|2.299437|2.699079|2.737734|3.407924|5.377760|0.138364|3.281659|3.171321|2.339139|2.212894|3.363793|2.569949|4.295301|2.825130|0.074216|2.577926|2.724297|3.443052|5.400803|3.663193|5.414803|0.147298|8.159936|0.180300|14.335355|53.358707|
|2.929926|4.937290|3.111028|2.674610|2.726705|3.308797|3.336041|4.349570|7.371186|0.208278|4.235126|3.995276|2.735847|2.534522|3.849989|2.944699|4.938822|3.165004|0.081201|2.816468|2.872319|3.612200|5.817628|4.238011|5.542676|0.152930|8.817758|0.189151|9.109999|19.354296|36.858105|
|3.199576|5.488740|3.551397|3.030746|3.114943|3.879493|3.901749|5.198465|9.323000|0.302771|5.145176|4.713073|3.114956|2.936535|4.614819|3.637347|6.022341|4.001673|0.099352|3.473416|3.500020|4.573306|7.760577|5.862526|7.304680|0.191009|13.028786|0.252632|8.213496|11.299217|14.703089|53.358707|
|2.171993|3.645457|2.191994|1.965561|1.991733|2.274665|2.328564|2.766001|4.120759|0.100134|2.633761|2.560948|2.073419|2.050385|3.193255|2.477219|4.073536|2.881077|0.077929|2.716061|3.083464|4.030644|6.133984|3.650618|6.674504|0.166594|7.675804|0.183598|14.663915|11.021078|5.670570|7.275997|53.358707|
|2.104248|3.571500|2.148764|1.949972|1.984298|2.251735|2.317658|2.705933|3.950034|0.094191|2.559819|2.475998|2.093584|2.122004|3.371750|2.650162|4.298874|3.208794|0.088137|3.068176|3.660672|4.934055|7.428633|4.034848|8.204039|0.188417|7.200230|0.180794|8.652381|7.449863|4.532065|6.476237|19.111419|36.858105|
|2.190077|3.774071|2.298123|2.101397|2.158183|2.466136|2.560236|2.984625|4.303349|0.102209|2.783347|2.650632|2.317782|2.396175|3.922729|3.135094|4.969844|4.003773|0.110726|3.782378|4.694267|6.784928|11.066404|5.200612|13.130950|0.254566|7.839290|0.193478|7.030171|6.487237|4.377347|6.844151|10.854174|15.131164|53.358707|
|1.812557|3.072981|1.816960|1.670144|1.690063|1.873441|1.920311|2.173227|3.117567|0.071770|2.078532|2.035829|1.774475|1.813378|2.831106|2.209257|3.629197|2.625960|0.073502|2.598787|3.126690|3.853068|5.328118|3.060931|4.837774|0.120813|4.360896|0.118630|5.044290|5.238229|3.253780|4.512946|9.972042|10.824910|10.094826|448.794386|
|17.606467|16.428263|7.044719|4.709473|3.754526|3.688785|3.001556|3.008667|5.170672|0.104853|4.555516|6.754682|2.462061|2.306127|3.193633|2.578990|5.038508|2.464304|0.060336|2.451254|2.302098|2.524580|3.403085|2.721535|2.467444|0.064389|2.895874|0.086492|2.566799|3.671557|3.136901|4.530885|3.026903|2.115302|2.957732|14.566725|0.500000|
|17.611087|16.433002|7.077464|4.735245|3.781459|3.714088|3.039016|3.033205|5.196068|0.107914|4.574257|6.766087|2.509889|2.446711|3.489942|2.945808|5.867205|2.874171|0.068752|2.976964|2.792688|3.067206|3.964164|3.155627|2.778859|0.070459|3.231245|0.100790|2.746534|3.757866|3.176411|4.836839|3.255635|2.332739|3.323570|15.982831|0.298129|0.500000|
|17.682399|16.958175|5.923946|4.437227|3.437777|3.182481|2.623226|2.544881|4.146309|0.083533|3.628496|4.935775|2.235523|2.163246|2.988195|2.450109|4.892401|2.340701|0.057387|2.417250|2.262507|2.403967|3.135618|2.483076|2.213706|0.057379|2.501801|0.075706|2.217701|3.076608|2.541355|3.719278|2.689520|1.923287|2.710201|13.545396|0.299392|0.299357|0.500000|
|4.928412|13.819167|8.809294|17.763932|9.017972|5.615636|4.103436|3.366647|5.030971|0.090156|4.936857|5.589549|3.536692|3.371011|4.235625|3.386670|7.375822|2.836945|0.069001|2.769441|2.359122|2.363728|3.246909|2.801266|2.193095|0.059210|2.323242|0.066150|2.007195|2.763411|2.343050|3.555214|2.435143|1.781143|2.599303|12.436193|0.120655|0.121223|0.124272|0.500000|
|3.326248|7.688840|5.571173|9.077605|17.746477|8.693450|6.538159|4.423142|5.816041|0.097952|5.485447|4.804188|6.023972|5.356704|5.859886|4.289444|9.196635|3.266855|0.080620|2.954998|2.438016|2.410519|3.471355|3.132590|2.323540|0.064766|2.379493|0.065266|2.046929|2.812903|2.404919|3.686686|2.482168|1.827892|2.705289|12.660591|0.087454|0.088074|0.082817|0.214931|0.500000|
|2.687824|5.197442|3.625984|3.602442|4.348368|6.354772|8.922501|17.507438|12.363269|0.194376|6.408499|4.427402|6.391312|4.593812|6.229097|4.025659|6.617387|3.580104|0.092993|2.867630|2.569984|2.798856|4.589272|4.174554|3.423953|0.105242|3.583008|0.087918|3.126379|4.533128|4.193446|6.303506|3.595622|2.539017|3.724109|16.578092|0.077371|0.075404|0.065057|0.083831|0.108660|0.500000|
|2.696783|5.186431|3.605869|3.555889|4.259025|6.165413|8.833749|17.645103|12.401222|0.218254|6.322479|4.417259|6.644175|5.644499|9.125918|5.778920|8.575897|5.215956|0.133553|3.776082|3.299207|3.610868|6.357033|6.485601|4.501591|0.142083|4.372776|0.104858|3.542407|4.806792|4.398744|7.392714|4.069516|2.986325|4.601572|18.982877|0.075309|0.078307|0.065249|0.082898|0.106306|0.302261|0.500000|
|7.384679|12.496147|8.860350|5.487800|4.808155|5.495595|4.323915|4.615274|9.442426|0.195833|8.849195|17.796862|3.247249|2.989624|4.286090|3.520644|6.759413|3.359852|0.079626|3.174358|2.918862|3.334954|4.717955|3.985528|3.417032|0.088889|4.186062|0.122427|3.421391|4.885912|4.587576|7.285811|3.824656|2.669224|3.828889|17.448898|0.221791|0.221625|0.144828|0.122887|0.105089|0.111637|0.112321|0.500000|
|2.263994|4.527746|3.082889|3.412763|4.431262|5.611581|8.996586|7.090375|6.411813|0.109464|4.394027|3.342226|17.555609|8.764963|8.934029|4.709721|7.564164|3.732924|0.101284|2.940602|2.508825|2.531231|4.022321|3.705447|2.774909|0.084070|2.677298|0.068346|2.341498|3.214505|2.740287|4.170496|2.847454|2.104634|3.156219|14.335568|0.062630|0.063251|0.056495|0.082703|0.126346|0.193448|0.190995|0.081825|0.500000|
|2.435573|5.064767|3.487147|4.206778|5.957638|6.643801|8.884673|5.540560|5.840273|0.097958|4.530881|3.549476|17.556099|8.828463|7.597688|4.466048|8.009191|3.381758|0.088627|2.817257|2.360664|2.341817|3.560407|3.246341|2.420588|0.070695|2.390072|0.062879|2.088028|2.873828|2.443819|3.707022|2.546881|1.880134|2.798473|12.977749|0.066570|0.066685|0.061068|0.102579|0.192087|0.144780|0.136689|0.083797|0.303017|0.500000|
|2.111802|4.248638|2.807140|3.195895|4.019118|4.401009|5.562613|4.399933|4.762925|0.086049|3.503146|2.887097|8.851581|17.582976|12.485592|5.879043|9.292597|4.265260|0.119557|3.400992|2.757690|2.599784|3.982332|3.651942|2.586779|0.076108|2.399333|0.063011|2.076724|2.755467|2.277303|3.519198|2.592069|1.977074|3.021648|13.773370|0.056704|0.059701|0.053646|0.080681|0.121794|0.109849|0.129005|0.071096|0.220665|0.209134|0.500000|
|2.526574|5.270489|3.575675|4.310827|5.737920|5.848901|6.620852|4.660830|5.382031|0.094860|4.294343|3.548812|8.801763|17.669146|12.675371|7.568423|14.465981|4.740211|0.120769|3.910756|3.013552|2.820749|4.193346|3.968664|2.662675|0.075826|2.532172|0.067992|2.142970|2.842718|2.384079|3.754239|2.642990|2.010689|3.077003|13.910354|0.066488|0.071305|0.063664|0.107167|0.179932|0.109822|0.128856|0.084202|0.173891|0.220497|0.302583|0.500000|
|2.222294|4.330031|2.864651|3.024607|3.603783|4.292911|5.433088|5.209129|5.629938|0.106851|3.833949|3.120772|6.248473|9.007627|26.062945|9.341094|10.895144|7.413374|0.230035|4.798914|3.815724|3.607687|5.982900|5.939471|3.670464|0.110834|3.175147|0.081301|2.642707|3.389048|2.805677|4.528899|3.284031|2.572697|4.107506|17.370712|0.059721|0.064832|0.055730|0.074611|0.098769|0.121593|0.181474|0.079138|0.171061|0.132247|0.224926|0.182427|0.500000|
|2.414171|4.566112|2.813892|2.832458|2.966909|3.106395|3.128621|3.020543|4.092458|0.083565|3.062932|2.906640|3.053559|3.782939|6.605923|6.763117|11.139272|8.815813|0.215375|17.537494|8.784518|5.493544|6.726010|5.490896|3.585366|0.092766|3.091515|0.088144|2.513375|3.067948|2.436547|3.966861|3.236287|2.669495|4.371118|18.765097|0.061778|0.073831|0.061992|0.073318|0.079090|0.072072|0.092093|0.076783|0.077842|0.075816|0.095507|0.108987|0.127584|0.500000|
|3.072611|5.798343|3.610793|3.476452|3.522952|3.717363|3.544640|3.454122|4.990584|0.103056|3.853828|3.781999|3.218977|3.774278|6.458275|7.156687|13.480176|8.903820|0.174399|17.569594|8.848784|6.766547|7.770819|6.745435|4.072006|0.100952|3.713998|0.110071|2.878512|3.516711|2.863666|4.828503|3.589570|2.906124|4.732270|19.720110|0.077032|0.097271|0.077115|0.087894|0.089612|0.080246|0.102662|0.100150|0.080340|0.079648|0.090732|0.110253|0.118276|0.303889|0.500000|
|2.172381|3.923181|2.383846|2.294796|2.375247|2.583394|2.655403|2.775640|3.819231|0.082382|2.695244|2.571215|2.536212|2.914230|5.035886|4.474145|6.945956|6.749618|0.196844|8.817836|17.542484|8.926086|9.652012|5.775206|4.838806|0.118983|3.732617|0.106184|3.048037|3.518108|2.678101|4.340583|4.098794|3.652835|6.451407|25.801277|0.057011|0.067220|0.055790|0.059045|0.062364|0.067902|0.086997|0.071194|0.067733|0.062662|0.075370|0.079167|0.106108|0.213583|0.173494|0.500000|
|2.438998|4.348654|2.579141|2.439194|2.441070|2.580741|2.540165|2.602189|3.728859|0.080338|2.733018|2.728366|2.373425|2.684899|4.441278|4.094443|6.973919|5.510640|0.138797|8.850824|17.531849|8.849901|7.694995|4.935670|4.145539|0.098533|3.565244|0.108544|2.897103|3.389816|2.596585|4.199818|3.842277|3.308761|5.497290|23.655466|0.062666|0.077128|0.063095|0.063422|0.063437|0.063495|0.078463|0.076278|0.062100|0.059710|0.068422|0.075525|0.088842|0.210123|0.216255|0.302225|0.500000|
|2.422408|4.182831|2.510014|2.293620|2.310911|2.558317|2.567164|2.821359|4.135922|0.094708|2.850873|2.810947|2.331038|2.507118|4.159452|3.595336|5.849902|4.899411|0.127780|5.512895|8.855908|17.674632|12.576310|5.745592|7.320793|0.149002|5.630700|0.175844|4.404918|4.684732|3.441563|5.647258|6.026349|5.823203|11.110654|37.561359|0.064472|0.077032|0.061572|0.058430|0.059046|0.069635|0.086818|0.081967|0.062667|0.057874|0.063811|0.067840|0.085942|0.123366|0.139239|0.217729|0.211744|0.500000|
|3.092269|5.328680|3.227013|2.857670|2.825014|3.132467|3.023965|3.282431|5.069253|0.116631|3.611327|3.670589|2.643485|2.831676|4.699720|4.323856|7.356269|5.753735|0.132232|6.807541|8.849275|17.374506|12.228309|7.096268|6.535851|0.136669|6.104406|0.210882|4.298183|4.826094|3.801809|6.648364|5.317169|4.488599|7.624465|28.250248|0.080511|0.102159|0.076783|0.071686|0.070367|0.078476|0.098545|0.107896|0.069159|0.065455|0.069897|0.078132|0.092616|0.139222|0.199384|0.174211|0.215566|0.300988|0.500000|
|3.372488|6.252461|4.221722|3.798366|4.029663|5.018665|4.992498|5.725370|9.054165|0.205445|6.035704|5.248107|3.999114|4.209785|7.504767|7.247695|11.351056|8.847986|0.174660|6.747376|5.744586|7.056414|12.278204|17.445913|6.640584|0.164781|6.379323|0.171825|4.248876|5.186314|4.615636|9.147581|4.832761|3.760646|6.232259|23.009377|0.089510|0.106466|0.080223|0.089386|0.096651|0.122417|0.179630|0.142260|0.102057|0.093328|0.097207|0.111988|0.140224|0.138478|0.196855|0.132554|0.128699|0.144414|0.209938|0.500000|
|2.640006|4.910717|3.265898|3.109998|3.464467|4.406944|5.062966|6.399112|8.126805|0.179816|4.818003|3.921253|4.357701|4.590481|8.848239|6.931585|9.283171|8.810176|0.218587|5.506848|4.948275|5.738986|12.669057|17.594074|7.505561|0.233918|5.939477|0.139451|4.288865|5.218896|4.515805|8.367710|4.994468|3.941973|6.714390|23.884915|0.071956|0.079976|0.064447|0.074647|0.087086|0.140007|0.252350|0.105474|0.119147|0.097525|0.109171|0.112056|0.189341|0.123461|0.138740|0.129690|0.108570|0.129099|0.144549|0.301774|0.500000|
|2.972287|5.032263|3.185687|2.737228|2.793058|3.401492|3.407858|4.455337|7.632848|0.203405|4.377853|4.110722|2.766734|2.491970|3.679023|2.763089|4.700668|2.861686|0.073607|2.546020|2.538320|3.068481|4.836912|3.672450|4.296686|0.121812|5.949632|0.140319|6.121081|12.438571|17.647632|12.570715|5.980417|3.624917|4.790985|22.226504|0.090658|0.087108|0.071432|0.066431|0.068267|0.124850|0.118819|0.130582|0.077262|0.069447|0.062276|0.065187|0.073875|0.062141|0.072489|0.065971|0.064395|0.080810|0.089946|0.112046|0.109895|0.500000|
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