Version2.2
2021-02-10T08:18:00Z
10.1021/jm300687e
Gaussian16
RevisionB.01
SBUNGAY
06-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1cc(sc1)CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc3cc(on3)c4ccc(cc4)F C15673323
RHF
6-31G(d)
(6D,7F)
c1cc(sc1)CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc3cc(on3)c4ccc(cc4)F
C01[X(C22H25F1N3O2S1)]
156
C1
489
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1noc(c1)c1ccc(cc1)F)NCc1cccs1
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1noc(c1)c1ccc(cc1)F)NCc1cccs1
Fc1ccc(cc1)c2onc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)NCc4sccc4)c2
InChIKey=KNZXTLFYBQFYKF-IRXDYDNUSA-O
InChI=1S/C22H24FN3O2S/c23-18-5-3-15(4-6-18)21-12-19(26-28-21)10-17-13-24-8-7-16(17)11-22(27)25-14-20-2-1-9-29-20/h1-6,9,12,16-17,24H,7-8,10-11,13-14H2,(H,25,27)/p+1/t16-,17-/m0/s1
InChI=1/C22H24FN3O2S/c23-18-5-3-15(4-6-18)21-12-19(26-28-21)10-17-13-24-8-7-16(17)11-22(27)25-14-20-2-1-9-29-20/h1-6,9,12,16-17,24H,7-8,10-11,13-14H2,(H,25,27)/p+1/t16-,17-/m0/s1/fC22H25FN3O2S/h24-25H/q+1
c1cc(sc1)CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc3cc(on3)c4ccc(cc4)F
C01[X(C22H25F1N3O2S1)]
156
C01
489
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1noc(c1)c1ccc(cc1)F)NCc1cccs1
O=C(C[C@@H]1CC[NH2]C[C@@H]1C[C]1[N]O[C]([CH]1)[C]1[CH][CH][C]([CH][CH]1)F)NCC1=[CH][CH]=CS1
F[C]1[CH][CH][C]([CH][CH]1)[C]2[CH][C](C[C@H]3C[NH2]CC[C@H]3CC(=O)NCc4sccc4)[N]O2
InChIKey=CLQZRLAHOUMBRT-IRXDYDNUSA-N
InChI=1S/C22H25FN3O2S/c23-18-5-3-15(4-6-18)21-12-19(26-28-21)10-17-13-24-8-7-16(17)11-22(27)25-14-20-2-1-9-29-20/h1-6,9,12,16-17H,7-8,10-11,13-14,24H2,(H,25,27)/t16-,17-/m0/s1
InChI=1/C22H25FN3O2S/c23-18-5-3-15(4-6-18)21-12-19(26-28-21)10-17-13-24-8-7-16(17)11-22(27)25-14-20-2-1-9-29-20/h1-6,9,12,16-17H,7-8,10-11,13-14,24H2,(H,25,27)/t16-,17-/m0/s1/f/h25H
2677.9511709940
-1657.4515021
1-A
25858.5905
109
380
489
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10.43330
-2.6296 5.0182 -1.4922
5.8586
|XX|YY|ZZ|XY|XZ|YZ|
-119.4386 -136.4470 -160.6558 -24.5403 -2.3032 12.3469
|XX|YY|ZZ|XY|XZ|YZ|
19.4085 2.4002 -21.8087 -24.5403 -2.3032 12.3469
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
92.8918 125.7617 0.2855 -26.7949 -175.7577 -27.0654 -14.3578 0.0481 25.6869 -28.7716
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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414.16515
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
|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|
8.3227 12.7560 19.0760 22.9892 28.2207 33.6567 40.0663 73.4807 79.5199 95.5386 112.7474 126.9867 144.2621 176.5251 186.3373 202.0429 217.0492 245.0053 267.8282 303.0487 305.6124 325.4312 336.1684 355.1064 376.6458 404.3402 434.3293 438.3079 458.1246 466.0084 504.3312 508.8954 516.2345 537.8953 558.5557 577.7672 602.6163 615.6916 656.6060 661.2894 670.4838 688.7929 694.6519 713.4432 732.6174 763.6250 772.4100 806.6662 808.1997 817.3630 835.1526 857.3031 887.8703 898.1994 906.0362 912.0546 918.7320 924.4909 931.2899 958.8591 977.4731 984.4236 1008.3781 1032.2972 1043.8278 1048.5690 1056.2013 1057.9898 1078.8184 1080.9009 1103.8434 1104.2518 1108.6643 1112.2963 1132.9437 1136.2990 1152.6081 1157.9067 1172.0996 1198.5077 1203.3748 1208.2063 1212.9474 1218.7721 1240.2757 1276.0063 1280.4549 1286.5923 1296.1979 1312.3373 1332.1314 1340.7923 1355.3644 1355.7757 1382.2421 1400.2903 1410.4617 1411.0372 1426.9851 1436.5723 1446.4650 1455.6950 1467.8609 1486.8443 1502.6134 1511.4460 1523.3665 1531.4138 1551.5235 1560.2602 1564.3321 1573.8038 1575.1872 1598.7698 1608.6895 1619.4443 1635.9510 1642.1520 1648.8686 1650.4037 1654.9148 1655.4941 1660.4740 1714.9272 1719.1593 1775.2074 1777.2335 1801.5875 1814.1653 1860.2933 1936.0595 3206.6350 3225.3609 3231.5254 3239.2667 3242.5768 3255.0186 3262.4535 3272.3482 3283.7937 3301.2414 3314.4306 3315.3794 3332.5601 3352.9172 3387.0897 3389.9663 3402.8018 3410.4488 3412.7152 3417.1686 3446.5749 3471.5166 3549.1965 3713.3613 3869.4573
5.2845 7.1752 4.2113 4.9694 6.5456 6.1001 6.8654 5.0602 6.8801 5.0862 4.2108 6.0802 4.5783 4.1718 4.5713 3.6023 5.2018 3.3949 4.7005 2.6719 3.8028 4.0178 4.1113 2.7184 4.0536 3.6068 4.9246 2.9366 2.9914 4.8950 3.0503 1.4398 3.1039 3.7963 3.5513 2.8103 2.9347 3.5082 5.6917 2.3573 4.9017 2.3890 7.1885 4.8464 4.6678 3.8266 4.3158 4.6431 3.5406 1.1947 3.2596 2.7096 2.4260 2.4082 5.7654 2.3936 1.7267 4.1795 1.2562 1.6951 1.3583 1.9147 2.8396 1.9909 4.0769 1.8564 1.4042 2.0558 2.6581 1.3437 1.6105 3.6666 2.4421 2.5885 1.7872 1.7550 2.7171 3.8033 2.7007 2.3727 1.6363 2.4525 1.2025 2.3247 1.9041 3.5439 2.2952 1.1702 1.5732 2.0537 1.1850 1.6306 1.3562 1.5045 1.3782 2.4110 1.8515 2.1386 1.2028 1.2970 1.3011 1.4342 1.2500 1.2797 1.4897 1.6202 1.4176 1.5519 1.5032 1.3070 2.7468 1.5307 1.4747 1.4204 3.6408 1.1029 1.1104 1.1333 5.1501 2.3734 1.2286 1.1184 1.1449 2.0656 3.9998 5.6100 6.5289 7.3943 5.4911 1.0761 9.2458 1.0636 1.0758 1.0834 1.0689 1.0920 1.0873 1.0678 1.0614 1.0667 1.1035 1.0983 1.0956 1.1116 1.1060 1.0909 1.0929 1.0909 1.0940 1.0964 1.0969 1.1001 1.1002 1.0710 1.0823 1.0792
0.0002 0.0007 0.0009 0.0015 0.0031 0.0041 0.0065 0.0161 0.0256 0.0274 0.0315 0.0578 0.0561 0.0766 0.0935 0.0866 0.1444 0.1201 0.1987 0.1446 0.2093 0.2507 0.2737 0.2020 0.3388 0.3474 0.5473 0.3324 0.3699 0.6263 0.4571 0.2197 0.4874 0.6472 0.6528 0.5527 0.6279 0.7835 1.4458 0.6074 1.2983 0.6678 2.0437 1.4534 1.4761 1.3147 1.5171 1.7801 1.3626 0.4702 1.3395 1.1733 1.1268 1.1447 2.7885 1.1731 0.8587 2.1047 0.6419 0.9183 0.7647 1.0932 1.7012 1.2500 2.6172 1.2026 0.9230 1.3558 1.8227 0.9250 1.1561 2.6342 1.7685 1.8868 1.3516 1.3351 2.1267 3.0044 2.1860 2.0080 1.3961 2.1093 1.0424 2.0345 1.7257 3.3997 2.2172 1.1413 1.5573 2.0839 1.2390 1.7271 1.4679 1.6294 1.5514 2.7854 2.1702 2.5088 1.4430 1.5771 1.6039 1.7906 1.5868 1.6669 1.9818 2.1808 1.9382 2.1444 2.1320 1.8747 3.9604 2.2338 2.1558 2.1391 5.5512 1.7042 1.7509 1.8006 8.2497 3.8090 1.9825 1.8060 1.8599 3.5792 6.9649 10.4162 12.1501 14.1402 10.6478 2.1941 20.4190 6.4435 6.5939 6.6659 6.6079 6.7649 6.7873 6.6962 6.6967 6.7773 7.0855 7.1087 7.0953 7.2737 7.3256 7.3736 7.4001 7.4423 7.4972 7.5236 7.5464 7.6994 7.8121 7.9484 8.7933 9.5199
0.7840 0.3678 0.9881 0.3637 0.7759 1.1853 7.0486 10.5325 1.0502 5.8968 5.5098 3.4938 10.9424 0.9572 5.2259 17.4894 3.3177 2.9898 10.6852 3.1533 7.2833 0.4814 14.7539 2.7551 0.5467 3.5367 5.7656 0.8657 0.0847 1.4648 1.4913 91.9497 24.6200 6.2279 7.5835 7.6736 0.3459 7.2124 19.2304 4.0460 3.4818 6.5830 0.7271 5.6454 19.6744 6.2177 3.0069 3.3244 3.5467 77.0739 3.9202 19.0002 9.8915 44.6200 3.3510 35.4657 6.4182 10.9348 4.2606 57.6341 7.1427 9.8454 1.6793 4.1445 13.4858 5.6387 0.2926 25.0233 9.9985 0.5196 4.7896 17.2874 2.2591 2.3155 3.4743 9.7757 8.1668 25.5333 11.9886 0.2887 4.5728 3.7929 1.0855 2.5115 6.3013 19.6199 23.4078 68.1259 2.9112 28.0557 29.4976 147.3549 1.9032 16.6223 16.6314 88.4616 108.5629 32.6835 25.1907 1.6806 14.5841 6.2712 16.0835 4.0836 2.6692 2.0854 5.6370 8.5435 8.5704 55.2410 9.0876 1.0979 48.8237 216.1958 20.5156 6.8713 0.2775 46.5589 14.9731 430.9746 121.8290 24.7161 56.5991 619.6475 6.8661 0.3658 6.9005 61.8318 227.6454 71.2558 326.9429 10.7922 12.6469 5.7862 29.5172 0.3687 12.8653 22.1105 11.3036 15.3327 9.7656 3.1766 1.8396 7.5371 10.1120 6.8746 7.5628 2.0018 5.1203 1.4867 1.0526 1.7384 3.3997 359.8242 96.4232 43.5395
2.9545 2.9244 6.3460 4.1497 1.5290 2.2471 0.8097 1.4985 0.7043 0.3788 0.3179 0.9582 0.8067 0.4324 0.2693 0.9107 0.5779 1.2586 0.8484 1.2957 1.6650 1.1810 0.9913 0.6363 1.7972 1.2715 0.4964 2.0303 0.0943 3.8331 1.1098 1.6376 1.0211 1.5125 1.1558 0.1334 0.9074 1.3273 0.8427 1.1786 4.1141 0.6643 8.4566 8.6860 3.4939 1.8689 3.5188 4.7693 8.4421 2.6656 16.0636 2.1268 2.7798 7.4251 24.2352 4.0742 4.5266 3.4480 2.8119 0.0697 2.3763 4.4311 11.4571 6.7768 38.4999 5.5216 3.3030 5.6415 5.1642 3.2244 2.1599 4.7844 9.7961 0.5232 14.2569 10.4263 19.1982 8.1972 2.0690 11.5814 14.8334 4.2649 12.8132 10.8367 6.4246 2.2017 20.1427 30.4257 8.2345 32.1997 2.5177 12.0163 7.2954 41.2185 4.0005 28.3888 4.1246 4.0761 9.3622 21.9155 4.2938 7.9186 4.6643 1.8610 7.2101 0.6182 8.6123 3.0757 1.6096 21.9455 6.3190 5.6381 6.6938 16.4126 9.4058 7.3723 9.2577 57.8378 95.3603 282.7762 65.6315 20.6152 23.5493 9.2743 391.4293 13.7161 11.8407 48.1312 496.7340 4.2522 5.1888 44.1078 52.2385 52.3283 89.5638 31.9180 33.1223 73.1347 62.9185 137.7612 42.4710 42.4917 101.1311 64.0323 72.9844 28.2855 81.5814 62.8099 144.6140 118.4822 128.9981 149.9192 36.6153 122.7913 67.9024 29.9834
0.7484 0.7499 0.7499 0.7404 0.7424 0.7451 0.7326 0.7244 0.7464 0.7017 0.6995 0.4103 0.1742 0.7495 0.3103 0.7212 0.6324 0.4622 0.7035 0.7325 0.4271 0.4674 0.2060 0.7474 0.5889 0.4813 0.6310 0.7046 0.5181 0.5153 0.6771 0.7500 0.4360 0.7252 0.2979 0.3650 0.7062 0.7119 0.0596 0.4563 0.7227 0.7059 0.7430 0.1052 0.1769 0.0501 0.7034 0.1540 0.6416 0.6695 0.0823 0.7409 0.3401 0.7280 0.1121 0.6125 0.7210 0.0866 0.7039 0.3389 0.5182 0.4576 0.2777 0.2140 0.2182 0.2038 0.6949 0.2102 0.2278 0.7450 0.2758 0.1931 0.3551 0.2210 0.6903 0.3713 0.3492 0.2596 0.5165 0.5658 0.7443 0.2776 0.5322 0.3994 0.3057 0.6180 0.3288 0.1627 0.7229 0.3032 0.5690 0.5291 0.6417 0.3261 0.7462 0.7344 0.2423 0.1973 0.6623 0.6529 0.6487 0.4095 0.7471 0.7491 0.5209 0.7227 0.7277 0.6066 0.7276 0.4568 0.2254 0.6227 0.3602 0.4190 0.7307 0.6983 0.6185 0.4603 0.3262 0.2759 0.4244 0.4339 0.2614 0.6100 0.3252 0.3482 0.4930 0.3662 0.4062 0.7457 0.4940 0.0743 0.4190 0.2716 0.1156 0.5864 0.1246 0.0321 0.1868 0.0903 0.7477 0.4853 0.2740 0.7396 0.5757 0.6859 0.5706 0.5893 0.3113 0.2672 0.1707 0.2099 0.3271 0.2068 0.4554 0.1580
0.8561 0.8571 0.8571 0.8508 0.8521 0.8539 0.8457 0.8402 0.8548 0.8247 0.8232 0.5819 0.2968 0.8568 0.4736 0.8380 0.7748 0.6322 0.8259 0.8456 0.5986 0.6371 0.3417 0.8554 0.7413 0.6498 0.7738 0.8267 0.6826 0.6801 0.8075 0.8571 0.6072 0.8407 0.4591 0.5348 0.8278 0.8317 0.1125 0.6267 0.8391 0.8276 0.8526 0.1904 0.3006 0.0954 0.8259 0.2669 0.7817 0.8020 0.1520 0.8512 0.5076 0.8426 0.2015 0.7597 0.8379 0.1594 0.8262 0.5063 0.6826 0.6278 0.4347 0.3525 0.3583 0.3386 0.8200 0.3474 0.3710 0.8539 0.4323 0.3236 0.5241 0.3619 0.8168 0.5415 0.5177 0.4122 0.6812 0.7227 0.8534 0.4346 0.6947 0.5708 0.4682 0.7639 0.4949 0.2799 0.8392 0.4653 0.7253 0.6920 0.7817 0.4918 0.8547 0.8469 0.3901 0.3296 0.7969 0.7900 0.7869 0.5810 0.8553 0.8565 0.6849 0.8391 0.8424 0.7551 0.8423 0.6272 0.3678 0.7675 0.5296 0.5905 0.8444 0.8223 0.7643 0.6305 0.4920 0.4325 0.5959 0.6052 0.4144 0.7578 0.4908 0.5165 0.6604 0.5360 0.5777 0.8543 0.6613 0.1383 0.5906 0.4271 0.2072 0.7393 0.2215 0.0623 0.3148 0.1656 0.8556 0.6535 0.4301 0.8503 0.7308 0.8137 0.7266 0.7416 0.4748 0.4217 0.2916 0.3470 0.4929 0.3428 0.6258 0.2729
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
6 6 6 16 6 6 7 6 8 6 6 1 6 6 7 1 1 6 6 1 6 6 6 6 8 7 6 6 6 6 6 6 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
5207.5569 44848.1264 47625.8297
0.99999 -0.00413 -0.00153 0.00416 0.99982 0.01826 0.00145 -0.01826 0.99983
1
0.01663 0.00193 0.00182
0.34656 0.04024 0.03789
11.97 18.35 27.45 33.08 40.60 48.42 57.65 105.72 114.41 137.46 162.22 182.71 207.56 253.98 268.10 290.69 312.29 352.51 385.35 436.02 439.71 468.22 483.67 510.92 541.91 581.76 624.90 630.63 659.14 670.48 725.62 732.19 742.75 773.91 803.64 831.28 867.03 885.84 944.71 951.45 964.68 991.02 999.45 1026.49 1054.07 1098.69 1111.33 1160.61 1162.82 1176.00 1201.60 1233.47 1277.45 1292.31 1303.58 1312.24 1321.85 1330.14 1339.92 1379.58 1406.37 1416.37 1450.83 1485.25 1501.84 1508.66 1519.64 1522.21 1552.18 1555.18 1588.18 1588.77 1595.12 1600.35 1630.05 1634.88 1658.35 1665.97 1686.39 1724.39 1731.39 1738.34 1745.16 1753.54 1784.48 1835.89 1842.29 1851.12 1864.94 1888.16 1916.64 1929.10 1950.07 1950.66 1988.74 2014.71 2029.34 2030.17 2053.11 2066.91 2081.14 2094.42 2111.92 2139.24 2161.93 2174.63 2191.78 2203.36 2232.30 2244.87 2250.72 2264.35 2266.34 2300.27 2314.55 2330.02 2353.77 2362.69 2372.35 2374.56 2381.05 2381.89 2389.05 2467.40 2473.49 2554.13 2557.04 2592.08 2610.18 2676.55 2785.56 4613.63 4640.57 4649.44 4660.58 4665.34 4683.25 4693.94 4708.18 4724.65 4749.75 4768.73 4770.09 4794.81 4824.10 4873.27 4877.41 4895.87 4906.88 4910.14 4916.54 4958.85 4994.74 5106.50 5342.70 5567.29
0.481831
0.506269
0.507213
0.420363
-1656.969672
-1656.945233
-1656.944289
-1657.031139
2.912963D-04
MUNgauss
RevisionA2.1
retrievium
10-Feb-2021
DUDE c1cc(sc1)CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc3cc(on3)c4ccc(cc4)F C15673323
RHF
6-31G(d)
(6D,10F)
C1
414.165152
|X|Y|Z|
48.070078 28.646836 150.755496
59.211793
27
|36.858105|
|13.253621|36.858105|
|8.191547|14.151123|36.858105|
|7.459369|7.466759|10.953742|388.023441|
|14.184755|8.242379|7.676068|78.411887|36.858105|
|5.038603|7.465103|12.691153|47.808217|4.817452|36.858105|
|4.114776|5.371211|7.800412|41.327632|4.139115|13.079466|53.358707|
|3.225678|3.944133|5.216016|31.820566|3.306190|7.734250|19.305715|36.858105|
|2.942898|3.560132|4.589036|28.398111|3.009455|6.764976|11.544926|15.829175|73.516695|
|2.770464|3.221403|3.972631|26.185017|2.866915|4.996953|10.704661|12.466495|14.183156|36.858105|
|2.312239|2.618695|3.133303|21.395859|2.406165|3.815142|6.924630|7.518540|12.273019|12.443202|36.858105|
|2.236051|2.562877|3.041960|20.152049|2.292651|3.811703|6.604064|7.280559|13.811229|9.032178|17.566517|0.500000|
|2.262050|2.502421|3.017404|21.848690|2.416630|3.540399|6.040823|6.074988|10.892411|7.480001|12.384176|0.248830|36.858105|
|1.929362|2.106057|2.463186|17.805279|2.045330|2.830312|4.532458|4.249537|8.067088|4.882058|7.501274|0.192724|12.509905|36.858105|
|1.757595|1.905626|2.182127|15.652935|1.847134|2.467869|3.960248|3.580313|6.473361|4.361805|6.534473|0.164162|7.651599|12.678565|53.358707|
|1.743007|1.869671|2.132704|15.557212|1.844765|2.365897|3.805044|3.347803|5.870403|4.139540|5.734952|0.136164|6.809576|9.021318|25.473134|0.500000|
|1.619394|1.746988|1.978932|14.180373|1.696096|2.221402|3.477515|3.075669|5.660545|3.583595|4.982506|0.133795|5.671314|9.208898|25.702819|0.328854|0.500000|
|1.779517|1.953592|2.222960|15.480179|1.841654|2.552969|4.172936|3.810407|6.727379|4.906227|7.645898|0.198477|6.526498|7.606399|17.293050|0.258170|0.256535|36.858105|
|2.023697|2.246337|2.589374|17.852601|2.093191|3.009650|5.204733|4.878425|7.963350|7.413723|12.315403|0.247971|7.507896|6.405146|10.368071|0.193990|0.157076|12.437470|36.858105|
|1.989307|2.226347|2.529397|16.979047|2.024705|2.959098|5.078782|4.636686|7.523898|6.763926|8.858022|0.220922|5.507864|4.878953|7.655211|0.143410|0.128217|9.134512|17.549055|0.500000|
|2.028767|2.205333|2.518922|17.920518|2.123742|2.804204|4.837322|4.190293|6.549707|6.243811|7.378160|0.151693|6.018177|5.054950|8.191303|0.185931|0.130234|7.284460|12.216275|0.245817|36.858105|
|1.765325|1.886816|2.110194|15.177528|1.846795|2.297350|3.779498|3.158543|5.143188|4.188301|4.897324|0.112757|4.501497|4.327865|7.715227|0.191576|0.131745|6.461179|7.315471|0.171850|12.658987|36.858105|
|1.630751|1.731668|1.900523|13.569239|1.690615|2.043015|3.294099|2.669097|4.359994|3.392562|3.733256|0.090683|3.394174|3.306396|5.627970|0.131207|0.103236|4.757415|5.145829|0.137750|7.187347|13.455042|36.858105|
|1.487745|1.565908|1.710330|12.337304|1.548038|1.823871|2.879978|2.323139|3.875745|2.841084|3.169975|0.078767|3.036230|3.096705|5.336322|0.127073|0.102473|4.199322|4.125970|0.108235|5.202225|8.747154|14.031176|36.858105|
|1.502056|1.579764|1.740968|12.693930|1.575498|1.862059|2.936399|2.401606|4.057547|2.923185|3.381860|0.083411|3.401463|3.608332|6.494318|0.165966|0.125730|4.701975|4.345764|0.107767|5.356607|8.964967|8.718169|14.386674|73.516695|
|1.663249|1.763601|1.973253|14.409773|1.753089|2.135759|3.439593|2.879987|4.828569|3.638162|4.398066|0.103837|4.477132|4.688727|8.935397|0.256524|0.157231|6.294676|5.943290|0.135540|7.914166|14.767013|8.538960|8.670646|24.896137|53.358707|
|1.347355|1.408258|1.519843|10.956177|1.396370|1.605542|2.489092|1.976164|3.324494|2.341755|2.555807|0.065122|2.466704|2.533295|4.202599|0.096539|0.083454|3.255239|3.160697|0.085279|3.734371|5.241109|7.350285|13.009768|14.198496|7.272864|36.858105|
|1.260378|1.309523|1.410756|10.250036|1.310893|1.482538|2.270738|1.798446|3.060373|2.088109|2.287731|0.058827|2.271499|2.379652|3.900804|0.089669|0.079425|2.892204|2.735893|0.072819|3.133404|4.162693|5.020351|7.677113|12.148579|6.265916|13.670801|36.858105|
|1.163237|1.203668|1.286189|9.326055|1.205478|1.344104|2.036161|1.596890|2.727144|1.823599|1.969370|0.051270|1.950944|2.035088|3.248282|0.072893|0.066635|2.415832|2.301115|0.062156|2.574757|3.228648|3.819235|5.079772|8.126442|4.699406|7.907428|13.794429|36.858105|
|1.140738|1.181007|1.254265|9.029555|1.175277|1.308875|1.979228|1.541409|2.621663|1.756706|1.870910|0.048943|1.821737|1.873956|2.957218|0.065356|0.060178|2.251948|2.183452|0.060101|2.433278|2.985858|3.636326|4.519717|6.814292|4.144945|6.925782|8.022522|13.807159|36.858105|
|1.201373|1.249010|1.325723|9.476974|1.232876|1.387491|2.112508|1.643632|2.773474|1.892787|2.001213|0.052200|1.910532|1.938839|3.068872|0.067553|0.061618|2.399907|2.370716|0.066250|2.670159|3.295159|4.247874|5.083216|7.065849|4.372158|7.904366|6.852078|7.878105|13.791928|36.858105|
|1.308925|1.368071|1.462981|10.449308|1.346037|1.540885|2.377224|1.865399|3.125530|2.192957|2.337436|0.060228|2.208406|2.230018|3.601707|0.080274|0.071331|2.864651|2.853952|0.079605|3.308506|4.306545|6.129153|7.688269|9.268982|5.549038|13.667970|7.919981|6.859377|8.028528|13.810583|36.858105|
|1.061408|1.095158|1.156489|8.320442|1.091076|1.201764|1.801064|1.393842|2.379877|1.567897|1.657309|0.043696|1.618354|1.663421|2.581764|0.056422|0.052786|1.956305|1.899566|0.052499|2.083787|2.474631|2.913445|3.442277|5.409825|3.429088|4.680755|5.328053|8.194091|14.439864|8.195182|5.331879|97.533100|
|17.753547|8.578340|5.714070|37.708506|8.921688|4.026441|4.628465|2.759405|4.527436|2.426983|2.060580|0.055601|2.010699|1.742280|2.183211|0.044256|0.041313|1.627705|1.834871|0.050406|1.844929|1.626262|1.518187|1.391339|2.486329|2.088492|1.270110|1.190761|1.105127|1.087569|1.144674|1.240288|2.286395|0.500000|
|8.585516|17.730687|8.928377|37.716499|5.735590|6.662210|6.642726|3.693758|6.011317|3.043469|2.496864|0.068908|2.342508|1.997045|2.482440|0.049451|0.046667|1.891643|2.165670|0.060495|2.104253|1.809579|1.674830|1.513325|2.698700|2.293914|1.366910|1.268905|1.170267|1.153227|1.222582|1.335895|2.411373|0.201504|0.500000|
|8.773290|5.687075|5.402767|55.331840|17.789298|3.832210|4.690190|2.872928|4.700680|2.567258|2.202614|0.058063|2.242270|1.923744|2.379229|0.048831|0.044798|1.728560|1.945232|0.052054|1.995992|1.760437|1.619467|1.494554|2.707834|2.291173|1.355679|1.279521|1.180311|1.149515|1.201147|1.305938|2.407290|0.203716|0.122553|0.500000|
|4.363703|5.858896|8.873584|43.762872|4.346566|17.639665|12.626408|7.460161|13.846166|4.704728|3.836671|0.108969|3.709646|2.993569|3.457691|0.066949|0.063849|2.579367|2.965375|0.079803|2.710937|2.240159|1.976882|1.783714|3.274521|2.881077|1.570881|1.461067|1.324049|1.282583|1.351372|1.497666|2.651869|0.099157|0.146871|0.099183|0.500000|
|4.681065|7.150157|9.007473|36.310283|4.180189|17.569606|12.357329|6.348923|10.376059|4.425600|3.475076|0.099145|3.134439|2.584781|3.128235|0.060889|0.058018|2.419612|2.825136|0.079144|2.604330|2.160156|1.949148|1.740107|3.131295|2.721347|1.542994|1.422529|1.296358|1.269599|1.349581|1.493198|2.631133|0.108648|0.208616|0.094180|0.303107|0.500000|
|4.254921|5.408586|7.289498|40.605730|4.265612|9.037050|26.046129|9.402140|10.855816|7.533662|4.736575|0.120772|4.077915|3.095659|3.801836|0.075922|0.068045|2.972408|3.780964|0.103601|3.688423|2.869621|2.527679|2.184893|3.911042|3.493336|1.887592|1.709712|1.533181|1.497222|1.607464|1.813787|3.061225|0.098149|0.135956|0.098985|0.181020|0.202070|0.500000|
|2.683316|3.142231|3.729269|23.655225|2.705956|4.640927|9.489725|8.965979|11.232612|17.513402|8.832731|0.210281|5.476229|4.063046|5.277603|0.102607|0.090744|4.631167|7.053081|0.209842|5.998122|4.116113|3.477039|2.849877|5.054694|4.697748|2.365433|2.080830|1.826910|1.781793|1.943631|2.257087|3.579491|0.066155|0.084616|0.067291|0.116910|0.121334|0.201518|0.500000|
|2.892619|3.277326|4.047158|28.303713|3.066154|4.720042|9.912312|8.879767|10.794013|17.543095|8.732674|0.174723|6.894578|4.524643|5.603684|0.114284|0.094067|4.407508|6.464855|0.157699|6.663432|4.405589|3.540543|2.950553|5.396317|5.173908|2.418800|2.154717|1.875001|1.801754|1.940377|2.254750|3.609378|0.070058|0.084082|0.076865|0.121086|0.113020|0.217792|0.303554|0.500000|
|2.295587|2.492158|2.995605|22.576111|2.494160|3.373324|5.763652|5.347824|8.913637|6.773387|8.729285|0.173868|17.544047|8.882234|9.187194|0.193933|0.141724|5.615596|6.677452|0.137211|6.559243|4.899490|3.608557|3.230220|6.510868|6.718263|2.596089|2.392229|2.039168|1.893066|1.981443|2.300606|3.768278|0.056649|0.064044|0.064960|0.096156|0.082075|0.112510|0.140747|0.204198|0.500000|
|2.432943|2.713493|3.347907|24.346483|2.615926|4.005686|6.665464|6.847177|13.555677|6.894225|8.847775|0.217752|17.623174|9.014028|7.625283|0.139920|0.127504|4.928455|5.490673|0.123992|4.595164|3.602582|2.859630|2.593411|5.087253|4.880723|2.165859|2.016995|1.759934|1.652163|1.725042|1.964957|3.337038|0.059478|0.069940|0.066885|0.121759|0.096144|0.118971|0.139728|0.174218|0.303724|0.500000|
|1.864367|2.005664|2.334008|17.301026|1.997069|2.617840|4.084129|3.669594|6.946163|4.042133|5.462871|0.140565|8.757879|17.628435|12.372998|0.221334|0.221649|5.587217|4.855142|0.107738|4.269493|3.860821|3.021805|2.917677|6.153532|5.942149|2.427890|2.331451|2.002341|1.826323|1.864778|2.122477|3.664241|0.046883|0.052512|0.052719|0.077432|0.066085|0.077930|0.094692|0.108863|0.217104|0.209860|0.500000|
|1.878949|2.068573|2.407717|17.024493|1.969767|2.811833|4.400941|4.153653|8.357302|4.501816|6.702396|0.202492|8.805870|17.613895|12.446949|0.179349|0.227377|6.908051|5.601799|0.128036|4.229891|3.677686|2.941639|2.764658|5.583120|5.282959|2.315187|2.182494|1.893964|1.758403|1.819163|2.070459|3.540549|0.047266|0.055004|0.051238|0.083850|0.072387|0.082062|0.107088|0.111097|0.173719|0.218448|0.301014|0.500000|
|1.644645|1.789489|2.006057|14.011279|1.696989|2.263483|3.641076|3.196840|5.581798|4.023447|5.502425|0.144065|4.872273|5.591705|12.414302|0.226980|0.226067|17.672527|8.692658|0.212982|6.669252|7.168480|5.557670|5.017469|9.926088|9.650357|3.810047|3.325267|2.729503|2.533854|2.715643|3.299850|4.884343|0.042122|0.048336|0.044534|0.063003|0.060141|0.073224|0.109704|0.104033|0.125191|0.107997|0.126772|0.143465|0.500000|
|1.752587|1.940188|2.202572|15.076166|1.798263|2.568669|4.127681|3.808142|7.010289|4.625408|7.043864|0.218332|5.866960|7.016255|12.436665|0.181615|0.224015|17.614571|8.845460|0.222770|5.394361|4.778270|3.848830|3.468072|6.713903|6.342232|2.825043|2.550225|2.183119|2.055853|2.182911|2.549502|4.075661|0.044593|0.052609|0.046682|0.072869|0.068486|0.080167|0.123221|0.110736|0.132910|0.132527|0.143426|0.209601|0.301502|0.500000|
|2.119939|2.312480|2.618068|18.345223|2.198743|2.896039|5.062638|4.218331|6.358185|6.353225|6.295350|0.136115|4.903516|4.052443|6.180574|0.134741|0.103921|5.517835|8.826647|0.230392|17.606632|8.987182|6.835693|4.733067|8.003908|7.933536|3.550618|2.935439|2.462079|2.381645|2.662808|3.291909|4.615971|0.053648|0.061577|0.057151|0.075897|0.075384|0.111265|0.187687|0.194242|0.145952|0.111490|0.097323|0.098623|0.145340|0.124813|0.500000|
|2.149787|2.316830|2.683146|19.691045|2.291373|2.947024|5.115000|4.401378|6.808363|6.444911|7.256235|0.143998|6.930270|5.382055|7.987354|0.189642|0.125996|6.027382|8.721178|0.176488|17.605835|9.124702|5.716970|4.568297|8.804957|9.978151|3.396599|2.953344|2.444145|2.285866|2.461509|2.983456|4.443513|0.053890|0.060470|0.060038|0.079541|0.074295|0.108349|0.156366|0.213580|0.244987|0.144669|0.130746|0.119556|0.148106|0.129815|0.306038|0.500000|
|1.643597|1.748211|1.902017|13.427758|1.689861|2.038787|3.285692|2.619374|4.234273|3.313165|3.490023|0.085960|3.079768|2.932605|4.787192|0.107165|0.088418|4.134544|4.670481|0.133365|6.227147|8.519865|17.838196|8.698542|10.505638|7.960918|6.268022|4.345064|3.519709|3.529631|4.317650|6.196840|6.459171|0.042667|0.047243|0.044869|0.054213|0.054503|0.070904|0.097564|0.095805|0.089864|0.073559|0.074247|0.073953|0.130076|0.096957|0.188554|0.138221|0.500000|
|1.273624|1.321911|1.431141|10.471203|1.331556|1.504842|2.303238|1.834517|3.139595|2.124206|2.357421|0.060435|2.394858|2.551737|4.214188|0.098696|0.086723|3.012549|2.795289|0.072864|3.186618|4.230492|4.712591|7.071727|13.769716|6.854849|8.893573|17.755137|8.964091|5.690239|4.944072|5.636576|9.643061|0.033336|0.035449|0.036151|0.041436|0.039907|0.047905|0.057994|0.060986|0.070480|0.058893|0.070448|0.064431|0.095551|0.073291|0.080914|0.085065|0.109687|0.500000|
|1.109614|1.144413|1.221137|8.887188|1.151680|1.272360|1.914044|1.498276|2.573702|1.692329|1.827655|0.047816|1.832432|1.924970|3.037245|0.067858|0.062915|2.220069|2.099902|0.056450|2.318170|2.836876|3.217272|4.117219|7.020117|4.195874|5.617381|8.868822|17.752348|8.958518|5.635504|4.948061|16.749433|0.029327|0.030886|0.031416|0.034948|0.034071|0.039884|0.046818|0.048288|0.053150|0.046265|0.053171|0.049950|0.068829|0.056239|0.061319|0.061953|0.082421|0.214066|0.500000|
|1.169488|1.215220|1.282192|9.119409|1.194455|1.338874|2.029057|1.567796|2.643177|1.792453|1.872998|0.049165|1.774587|1.787395|2.790462|0.060690|0.055934|2.198703|2.194988|0.062102|2.443474|2.917000|3.687819|4.120396|5.884536|3.802579|5.615426|4.944314|5.635660|8.951705|17.753021|8.870288|16.753699|0.031065|0.033166|0.032323|0.036113|0.036353|0.042985|0.051521|0.050899|0.050873|0.044845|0.047642|0.046931|0.068335|0.056239|0.068766|0.062596|0.108119|0.107428|0.124533|0.500000|
|1.366258|1.434350|1.531805|10.850836|1.398358|1.618014|2.511470|1.965901|3.266477|2.332031|2.455259|0.063190|2.266974|2.251300|3.613511|0.079649|0.070599|2.956595|3.030047|0.086442|3.534523|4.503309|6.747920|7.068866|8.465251|5.437808|8.871528|5.630516|4.946299|5.696303|8.990853|17.734327|9.656753|0.035952|0.039023|0.037534|0.043399|0.043714|0.053568|0.067752|0.066478|0.065316|0.055981|0.058791|0.058238|0.094144|0.073233|0.100862|0.086630|0.216764|0.123787|0.107466|0.214784|0.500000|
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