Version2.3
2021-04-02T04:58:44Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
31-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE C[C@@H](C(=O)Nc1c(c(cs1)c2ccc3c(c2)OCCO3)C(=O)OC)n4c(nnc4SC)N C40172196
RHF
6-31G(d)
(6D,7F)
C[C@@H](C(=O)Nc1c(c(cs1)c2ccc3c(c2)OCCO3)C(=O)OC)n4c(nnc4SC)N
C01[X(C20H21N5O5S2)]
153
C1
530
COC(=O)c1c(scc1c1ccc2c(c1)OCCO2)NC(=O)[C@@H](n1c(N)nnc1SC)C
COC(=O)c1c(scc1c1ccc2c(c1)OCCO2)NC(=O)[C@@H](n1c(N)nnc1SC)C
COC(=O)c1c(NC(=O)[C@H](C)n2c(N)nnc2SC)scc1c3ccc4OCCOc4c3
InChIKey=MKFHRMFAIAEESY-JTQLQIEISA-N
InChI=1S/C20H21N5O5S2/c1-10(25-19(21)23-24-20(25)31-3)16(26)22-17-15(18(27)28-2)12(9-32-17)11-4-5-13-14(8-11)30-7-6-29-13/h4-5,8-10H,6-7H2,1-3H3,(H2,21,23)(H,22,26)/t10-/m0/s1
InChI=1/C20H21N5O5S2/c1-10(25-19(21)23-24-20(25)31-3)16(26)22-17-15(18(27)28-2)12(9-32-17)11-4-5-13-14(8-11)30-7-6-29-13/h4-5,8-10H,6-7H2,1-3H3,(H2,21,23)(H,22,26)/t10-/m0/s1/f/h22H,21H2
C[C@@H](C(=O)Nc1c(c(cs1)c2ccc3c(c2)OCCO3)C(=O)OC)n4c(nnc4SC)N
C01[X(C20H21N5O5S2)]
153
C01
530
COC(=O)c1c(scc1c1ccc2c(c1)OCCO2)NC(=O)[C@@H](n1c(N)nnc1SC)C
CSC1=[N][N]=C(N1[C@H](C(=O)N[C]1SC=[C]([C]1C(=O)OC)[C]1[CH][CH][C]2[C]([CH]1)OCCO2)C)N
COC(=O)[C]1[C](NC(=O)[C@H](C)n2c(N)nnc2SC)SC=C1[C]3[CH][CH][C]4OCCO[C]4[CH]3
InChIKey=MKFHRMFAIAEESY-JTQLQIEISA-N
InChI=1S/C20H21N5O5S2/c1-10(25-19(21)23-24-20(25)31-3)16(26)22-17-15(18(27)28-2)12(9-32-17)11-4-5-13-14(8-11)30-7-6-29-13/h4-5,8-10H,6-7H2,1-3H3,(H2,21,23)(H,22,26)/t10-/m0/s1
InChI=1/C20H21N5O5S2/c1-10(25-19(21)23-24-20(25)31-3)16(26)22-17-15(18(27)28-2)12(9-32-17)11-4-5-13-14(8-11)30-7-6-29-13/h4-5,8-10H,6-7H2,1-3H3,(H2,21,23)(H,22,26)/t10-/m0/s1/f/h22H,21H2
3496.0927251471
-2211.1611287
1-A
24164.6127
124
406
530
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10.63793
8.0971 2.5026 2.4733
8.8286
|XX|YY|ZZ|XY|XZ|YZ|
-208.6472 -187.0440 -197.7168 -13.2119 -2.1792 -1.2886
|XX|YY|ZZ|XY|XZ|YZ|
-10.8445 10.7587 0.0859 -13.2119 -2.1792 -1.2886
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
769.2070 10.5866 20.1500 -18.6537 87.9727 98.9942 -0.0529 21.2484 -5.6579 53.9437
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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475.09841
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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
8.4789 11.6975 22.1733 29.8170 35.9817 49.3649 51.9110 59.4899 88.1172 96.6586 102.4609 111.8543 121.8968 139.2423 147.4164 159.3538 168.9792 182.3588 185.7204 203.3193 212.5572 220.6434 239.0252 240.0923 262.9554 290.0963 313.8396 327.0052 329.1557 353.5420 355.7437 359.9499 381.4572 389.4675 412.4177 419.3186 436.9542 445.8830 463.3668 500.3368 511.3944 524.7709 556.4220 576.3692 591.2151 624.3779 638.7975 662.9583 713.2923 719.1261 749.7476 756.4283 769.6688 776.9830 780.1320 786.7767 801.4463 809.8921 823.6387 828.1402 841.0547 851.5692 877.9076 886.8395 896.4111 927.8348 938.9966 958.8018 968.2876 979.9281 1013.1060 1039.6295 1047.1032 1071.9895 1075.5406 1076.9972 1093.3174 1103.6638 1112.0360 1157.8392 1183.7576 1194.9720 1206.0009 1214.6574 1217.4084 1221.4461 1242.2850 1247.0007 1273.9617 1296.8261 1297.1784 1311.4681 1316.6833 1342.8397 1348.1963 1388.6901 1395.9356 1409.9542 1410.4405 1418.8960 1445.7390 1448.9733 1465.6229 1476.4832 1518.2719 1527.9329 1537.7776 1561.9791 1565.3021 1578.0607 1588.8668 1599.3417 1606.0174 1620.7268 1623.7662 1635.2457 1637.4913 1642.5337 1647.5596 1651.8623 1654.0418 1657.8753 1684.3130 1726.2201 1740.2949 1752.4087 1778.3494 1787.0033 1825.0089 1844.9950 1920.2674 1968.3924 3220.8195 3227.8236 3230.4144 3250.6908 3256.4298 3289.3542 3299.0894 3307.4521 3308.1193 3339.0820 3339.1608 3344.0075 3360.2064 3363.6786 3373.7501 3392.5767 3394.5768 3440.4567 3762.6757 3778.9239 3862.4470
6.3589 5.6712 5.4935 5.1167 6.7674 4.9857 6.0174 6.5043 6.1731 6.0620 4.0837 5.5750 3.8462 5.2093 4.1923 5.0502 2.5236 1.3770 1.3206 4.0822 3.3768 3.5957 1.5259 2.1084 5.9080 5.4686 6.3651 7.4206 6.9006 2.7721 3.2327 5.5303 3.7304 5.0194 1.4089 14.0868 5.9990 3.9319 4.8626 8.0206 7.5823 3.2772 4.3091 5.2054 7.1430 4.5140 7.6921 6.6427 4.2541 3.6487 11.5121 4.1383 3.3920 3.8478 1.7975 5.5218 4.4724 4.3154 3.9184 4.8556 4.4610 4.0444 5.4710 3.9292 1.8436 2.2512 2.6846 3.1947 1.5327 2.5204 1.5027 3.3114 2.6712 3.2570 2.3127 1.5405 1.1847 3.7875 1.4661 4.8795 3.4780 3.8795 2.6553 2.1991 2.9127 2.6410 2.9063 1.9219 2.6114 1.2686 1.7476 2.4543 2.1302 1.5473 1.7811 2.6254 1.6525 2.5828 2.2481 1.3868 2.2565 2.4930 3.8501 2.1912 1.1675 4.7837 1.4601 1.3302 1.4892 2.5005 3.5902 3.1961 1.0509 1.0681 1.7110 1.3063 1.2566 1.0480 1.0664 1.1641 1.1357 1.1415 2.9710 7.7213 4.1208 2.6509 2.0345 7.7362 6.3725 2.0754 9.4895 8.3815 1.0722 1.0639 1.0380 1.0310 1.0294 1.0870 1.1035 1.0981 1.1039 1.1091 1.1025 1.1048 1.1089 1.1093 1.0898 1.0933 1.0957 1.0954 1.0500 1.0799 1.0963
0.0003 0.0005 0.0016 0.0027 0.0052 0.0072 0.0096 0.0136 0.0282 0.0334 0.0253 0.0411 0.0337 0.0595 0.0537 0.0756 0.0425 0.0270 0.0268 0.0994 0.0899 0.1031 0.0514 0.0716 0.2407 0.2712 0.3694 0.4675 0.4405 0.2041 0.2410 0.4222 0.3198 0.4486 0.1412 1.4593 0.6748 0.4606 0.6151 1.1830 1.1683 0.5317 0.7860 1.0188 1.4710 1.0368 1.8494 1.7201 1.2752 1.1117 3.8127 1.3951 1.1839 1.3686 0.6445 2.0139 1.6925 1.6677 1.5661 1.9620 1.8592 1.7280 2.4844 1.8207 0.8728 1.1419 1.3946 1.7304 0.8467 1.4259 0.9087 2.1088 1.7256 2.2052 1.5763 1.0528 0.8343 2.7182 1.0682 3.8541 2.8715 3.2639 2.2754 1.9116 2.5435 2.3215 2.6426 1.7608 2.4971 1.2570 1.7326 2.4871 2.1758 1.6439 1.9074 2.9830 1.8973 3.0252 2.6350 1.6450 2.7789 3.0839 4.8727 2.8144 1.5857 6.5799 2.0343 1.9122 2.1498 3.6688 5.3401 4.8168 1.5970 1.6530 2.6580 2.0581 1.9852 1.6658 1.7056 1.8716 1.8306 1.8485 4.9659 13.5561 7.3532 4.7964 3.7909 14.5556 12.5052 4.1625 20.6165 19.1335 6.5532 6.5310 6.3820 6.4188 6.4313 6.9295 7.0762 7.0775 7.1176 7.2858 7.2425 7.2790 7.3772 7.3949 7.3084 7.4138 7.4389 7.6396 8.7588 9.0862 9.6366
0.0991 0.0174 0.0510 0.2105 0.1504 2.4033 1.2721 2.4372 3.5162 0.3809 8.6418 2.3783 0.0969 3.0159 1.5304 0.7452 2.8548 0.8955 1.3775 1.8061 5.7602 3.7271 2.9952 2.6831 1.1912 2.0299 9.4941 0.9042 12.7181 1.8292 5.2393 5.7174 47.7909 10.3596 59.6768 15.0465 4.6274 30.9073 4.2216 2.5735 1.3111 1.1411 6.9414 11.3647 12.4026 1.5961 6.0567 1.8561 10.6517 12.5457 2.4626 2.3726 13.6029 23.6927 52.0846 52.7882 4.6356 1.3040 12.8123 15.7475 20.0079 17.1013 15.4414 10.5930 56.8335 40.7703 2.9782 4.5899 220.6633 46.0748 17.2093 6.8571 28.7435 2.6280 11.9860 6.6414 1.9037 16.8680 23.0756 78.8478 27.6759 5.1358 83.5022 19.9377 44.4815 5.3297 11.8469 12.0266 13.3030 3.0708 14.0788 60.6727 21.6852 48.2802 16.5158 423.2633 277.5478 9.6886 43.5415 27.4344 35.0199 184.9691 675.4800 255.3155 5.3891 125.8270 14.6878 8.9417 69.1766 31.1488 68.2715 116.4472 6.8091 11.2592 51.4965 71.1944 36.8358 3.5242 7.6171 11.4144 11.8745 11.0822 212.2672 72.2503 510.7441 680.9662 51.0051 79.2554 1.8536 233.3228 372.2337 174.2899 40.7185 63.7320 17.7710 29.1962 38.1409 5.8196 30.5383 70.6343 37.4401 23.3593 4.7551 5.5196 21.9691 2.4419 10.2588 8.2240 4.4541 1.9523 46.1657 169.8650 85.0381
0.8140 0.5431 3.4366 1.6956 2.2699 0.6938 0.3528 1.0053 0.2750 1.2724 0.1662 0.6331 0.7440 0.6905 0.3268 1.3823 0.5854 0.9990 0.2534 2.6822 0.6246 1.0116 0.0328 0.6539 0.9467 1.0675 0.8999 1.6935 1.1670 1.1794 0.8518 0.7691 4.1243 0.3182 1.4296 3.7041 4.4178 0.6191 2.3114 4.2599 1.9364 0.5407 2.4682 1.3693 1.5529 4.6563 5.2226 6.3449 2.1204 3.6986 0.6668 3.2272 3.8464 21.1045 11.0919 7.4234 1.2826 0.8650 4.6642 21.4883 7.4164 8.1819 0.8495 3.2482 0.7675 3.4146 1.9615 1.5930 3.2562 3.9874 1.2659 4.5607 3.6943 3.3222 6.1006 2.9645 4.9485 2.7290 7.3046 5.6329 4.4060 2.0364 5.4530 2.7607 0.9808 6.1454 5.5974 2.6221 4.1446 4.5716 3.1589 8.5914 13.0560 5.0121 4.2515 4.9440 7.3346 5.1255 8.7095 2.0901 14.3938 5.5781 57.3132 15.5190 0.9859 42.6256 8.3911 3.1424 2.3171 65.2611 7.6214 92.4937 20.8889 12.2850 20.1215 4.9215 13.6790 16.1607 12.8132 3.6400 18.3628 9.2621 4.0929 13.3999 46.9390 6.6376 29.3223 14.1420 109.8369 16.7465 14.0173 47.3676 169.4289 25.5519 113.2005 128.6311 96.4921 47.2119 75.7232 204.0636 115.2928 46.2122 34.9665 81.1857 59.9635 56.1358 48.1000 3.2242 176.3159 81.4997 149.8594 51.0519 71.1137
0.7408 0.7132 0.7304 0.7227 0.7425 0.7499 0.7203 0.7315 0.6980 0.7402 0.7319 0.6683 0.5320 0.3216 0.7387 0.6202 0.6292 0.4910 0.7174 0.4764 0.3021 0.6305 0.6406 0.3427 0.7488 0.3833 0.3965 0.6479 0.3579 0.5217 0.7159 0.5779 0.5831 0.7196 0.7378 0.1225 0.5127 0.4739 0.2795 0.1754 0.5856 0.5238 0.4143 0.4380 0.7494 0.7227 0.7247 0.4465 0.5019 0.5308 0.5083 0.5233 0.3461 0.3875 0.2116 0.1650 0.5572 0.7248 0.2170 0.1067 0.0842 0.3241 0.1966 0.6234 0.4296 0.4295 0.2158 0.7472 0.5428 0.6547 0.3719 0.1957 0.7478 0.4314 0.4033 0.4967 0.7467 0.7375 0.5354 0.3242 0.3155 0.7423 0.6325 0.4992 0.7038 0.1569 0.6531 0.2341 0.1515 0.7499 0.6705 0.2148 0.3409 0.7468 0.1512 0.6361 0.7451 0.5049 0.2332 0.7454 0.2340 0.5958 0.4074 0.2241 0.6972 0.6785 0.6871 0.5384 0.4927 0.1321 0.7223 0.1350 0.7460 0.7186 0.6899 0.2498 0.6457 0.7499 0.7419 0.5276 0.7489 0.4475 0.2938 0.2089 0.3538 0.5907 0.1271 0.5278 0.4621 0.5083 0.2557 0.2231 0.1240 0.7151 0.0601 0.0418 0.0027 0.1865 0.7215 0.3063 0.6152 0.7499 0.7328 0.7490 0.7027 0.7475 0.7070 0.7439 0.2098 0.3122 0.1228 0.1475 0.7057
0.8511 0.8326 0.8442 0.8391 0.8523 0.8571 0.8374 0.8449 0.8221 0.8507 0.8452 0.8012 0.6945 0.4867 0.8497 0.7656 0.7724 0.6587 0.8355 0.6454 0.4640 0.7734 0.7809 0.5104 0.8564 0.5542 0.5678 0.7863 0.5272 0.6857 0.8345 0.7325 0.7367 0.8369 0.8491 0.2182 0.6779 0.6430 0.4369 0.2985 0.7387 0.6875 0.5858 0.6092 0.8567 0.8390 0.8404 0.6173 0.6683 0.6935 0.6740 0.6871 0.5142 0.5586 0.3493 0.2833 0.7156 0.8405 0.3566 0.1929 0.1554 0.4895 0.3286 0.7680 0.6010 0.6009 0.3551 0.8553 0.7037 0.7913 0.5422 0.3273 0.8557 0.6027 0.5748 0.6637 0.8550 0.8489 0.6974 0.4896 0.4797 0.8521 0.7749 0.6660 0.8262 0.2712 0.7901 0.3794 0.2632 0.8571 0.8028 0.3536 0.5085 0.8551 0.2627 0.7775 0.8539 0.6710 0.3782 0.8542 0.3793 0.7467 0.5789 0.3661 0.8216 0.8085 0.8145 0.7000 0.6602 0.2334 0.8388 0.2378 0.8545 0.8363 0.8165 0.3997 0.7847 0.8571 0.8519 0.6908 0.8564 0.6183 0.4541 0.3456 0.5227 0.7427 0.2255 0.6909 0.6321 0.6740 0.4073 0.3647 0.2207 0.8339 0.1134 0.0802 0.0054 0.3144 0.8382 0.4689 0.7618 0.8571 0.8458 0.8565 0.8254 0.8555 0.8283 0.8531 0.3468 0.4758 0.2187 0.2571 0.8274
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
6 6 1 6 8 7 6 6 6 6 16 6 6 6 6 6 6 8 6 6 8 6 8 8 6 7 6 7 7 6 16 6 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 15.99491 15.99491 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 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
5477.9288 40546.9551 43034.5177
1.00000 -0.00153 0.00020 0.00153 0.99996 -0.00935 -0.00018 0.00935 0.99996
1
0.01581 0.00214 0.00201
0.32946 0.04451 0.04194
12.20 16.83 31.90 42.90 51.77 71.03 74.69 85.59 126.78 139.07 147.42 160.93 175.38 200.34 212.10 229.27 243.12 262.37 267.21 292.53 305.82 317.46 343.90 345.44 378.33 417.38 451.55 470.49 473.58 508.67 511.84 517.89 548.83 560.36 593.38 603.31 628.68 641.53 666.68 719.87 735.78 755.03 800.57 829.27 850.63 898.34 919.09 953.85 1026.27 1034.66 1078.72 1088.33 1107.38 1117.91 1122.44 1132.00 1153.10 1165.25 1185.03 1191.51 1210.09 1225.22 1263.11 1275.96 1289.74 1334.95 1351.01 1379.50 1393.15 1409.90 1457.63 1495.80 1506.55 1542.35 1547.46 1549.56 1573.04 1587.93 1599.97 1665.87 1703.16 1719.30 1735.17 1747.62 1751.58 1757.39 1787.37 1794.16 1832.95 1865.84 1866.35 1886.91 1894.41 1932.05 1939.75 1998.02 2008.44 2028.61 2029.31 2041.47 2080.10 2084.75 2108.70 2124.33 2184.45 2198.35 2212.52 2247.34 2252.12 2270.48 2286.02 2301.10 2310.70 2331.86 2336.24 2352.75 2355.98 2363.24 2370.47 2376.66 2379.80 2385.31 2423.35 2483.65 2503.90 2521.33 2558.65 2571.10 2625.78 2654.54 2762.84 2832.08 4634.04 4644.12 4647.85 4677.02 4685.28 4732.65 4746.65 4758.69 4759.65 4804.19 4804.31 4811.28 4834.59 4839.58 4854.07 4881.16 4884.04 4950.05 5413.65 5437.03 5557.20
0.438888
0.467586
0.468530
0.374353
-2210.722241
-2210.693543
-2210.692598
-2210.786775
3.158712D-04
MUNgauss
RevisionA2.1
retrievium
02-Apr-2021
DUDE C[C@@H](C(=O)Nc1c(c(cs1)c2ccc3c(c2)OCCO3)C(=O)OC)n4c(nnc4SC)N C40172196
RHF
6-31G(d)
(6D,10F)
C1
475.098413
|X|Y|Z|
48.144871 31.692625 144.368459
60.393962
23
|36.858105|
|12.404832|36.858105|
|8.936240|17.632153|0.500000|
|7.553675|12.458953|0.248923|36.858105|
|5.822609|7.930199|0.166180|15.901016|73.516695|
|5.998297|7.876019|0.211258|14.034579|15.057499|53.358707|
|4.314464|5.073156|0.136692|7.793084|11.947379|18.762030|36.858105|
|3.545216|3.935896|0.111477|5.140888|8.057151|10.632218|13.895472|36.858105|
|2.877944|3.131964|0.086807|3.985075|6.790443|7.060228|8.128190|13.074983|36.858105|
|2.851362|3.132391|0.084053|4.121662|7.527702|6.791070|7.755200|8.241588|14.203886|36.858105|
|3.556690|4.081667|0.104540|6.056660|12.035288|9.480518|11.044254|7.387477|7.381277|11.016387|388.023441|
|2.397586|2.552193|0.071691|3.059178|5.227143|5.136642|5.035720|7.199641|12.760722|7.714570|33.784149|36.858105|
|2.182301|2.351900|0.067296|2.744912|4.659703|4.532985|4.177616|5.643459|7.580167|5.483683|27.524724|13.673091|36.858105|
|1.902104|2.018356|0.057701|2.294638|3.922766|3.671089|3.223331|4.067187|5.041194|4.079315|21.773127|7.915219|13.817408|36.858105|
|1.801235|1.875698|0.053052|2.120450|3.655529|3.342921|2.909891|3.581304|4.452931|3.753996|20.121179|6.837340|7.942012|13.740118|36.858105|
|1.914138|1.970391|0.055060|2.253252|3.907763|3.559619|3.154960|3.891066|5.051182|4.284972|22.207280|7.911829|6.888389|7.954788|13.750533|36.858105|
|2.203086|2.279687|0.063284|2.678534|4.640243|4.335404|4.040580|5.214892|7.646690|6.031140|28.465988|13.765591|7.965534|6.896981|7.935987|13.741098|36.858105|
|1.774291|1.798242|0.049893|2.030203|3.547579|3.138361|2.709750|3.197000|3.928502|3.543963|19.386136|5.243643|4.619860|5.221910|7.959259|14.024507|8.074481|73.516695|
|1.573851|1.598815|0.044507|1.781447|3.122459|2.713779|2.294099|2.646729|3.149928|2.907176|16.475498|4.037245|3.890106|4.682217|7.076461|8.193306|5.307206|24.096705|36.858105|
|1.532421|1.563913|0.044020|1.725317|2.991452|2.642553|2.209198|2.577856|2.989237|2.683543|15.442551|3.874569|4.042721|5.298828|8.188439|7.068511|4.677240|14.179451|12.580979|36.858105|
|1.602967|1.659193|0.046969|1.843946|3.188532|2.852270|2.412139|2.863224|3.380337|2.975825|16.773805|4.597339|5.251869|8.062197|14.030048|7.955084|5.215611|12.070004|7.972534|13.553388|73.516695|
|3.527727|3.799364|0.113611|4.466962|6.688179|8.906747|7.708118|12.921344|7.247232|5.105706|33.969655|5.834508|5.171090|3.951405|3.466387|3.639222|4.536189|5.382280|2.545878|2.560282|5.032285|36.858105|
|4.076673|4.401207|0.139113|4.848465|6.866959|9.660701|6.686556|8.052426|5.122500|4.077085|29.770461|4.267064|3.966941|3.219789|2.869577|2.971537|3.535247|4.553504|2.207508|2.231248|4.322940|15.819912|73.516695|
|2.887724|3.021697|0.089456|3.426438|5.365981|6.164438|5.294129|8.146408|6.576023|4.534584|27.680950|6.603821|6.124839|4.785629|4.177514|4.310109|5.226341|6.197920|2.902894|2.993551|5.945457|14.533519|15.380653|73.516695|
|2.680846|2.747502|0.082801|2.951553|4.609901|5.048513|3.968469|5.207603|4.416154|3.390440|21.741245|4.593281|4.612708|4.047444|3.631935|3.613881|4.006972|5.452616|2.650937|2.817192|5.487867|8.154322|12.918392|23.877858|36.858105|
|7.660305|13.132909|0.259963|7.748910|12.079250|7.180766|3.928895|3.157302|2.652205|2.715999|24.835725|2.213804|2.073179|1.805573|1.681441|1.752238|1.995562|2.864474|1.450913|1.419604|2.674466|3.013448|5.989471|4.441058|2.302173|53.358707|
|6.024366|7.445242|0.157567|5.903537|10.975218|5.704451|3.377591|2.749523|2.399028|2.516277|22.977393|2.024126|1.887298|1.661228|1.563734|1.637596|1.854505|2.705758|1.376527|1.336973|2.502575|2.576465|4.958698|3.892713|2.017953|18.915102|36.858105|
|4.466517|5.298585|0.126516|4.386542|8.101272|4.610605|2.834961|2.382585|2.115832|2.211052|19.521853|1.820231|1.722248|1.531680|1.440631|1.495442|1.672528|2.478147|1.272753|1.241715|2.324845|2.259071|4.330369|3.476087|1.824313|11.874521|14.896001|53.358707|
|4.260800|5.324696|0.139002|4.227440|7.329503|4.616227|2.805806|2.393500|2.102074|2.157741|18.692572|1.819860|1.745899|1.552574|1.447527|1.487744|1.656532|2.450787|1.262597|1.242772|2.339073|2.315170|4.509399|3.557647|1.885856|11.875046|8.896076|18.859280|53.358707|
|5.307435|7.539618|0.205457|5.349889|8.587404|5.718594|3.301955|2.775535|2.368216|2.398628|21.018177|2.023422|1.937005|1.703717|1.577620|1.621877|1.820849|2.650761|1.356625|1.338972|2.530530|2.710385|5.403881|4.076170|2.153157|18.858521|8.877335|12.129307|20.375846|36.858105|
|4.402301|5.914022|0.202277|4.520416|6.902659|5.474547|3.202647|2.809650|2.367312|2.324912|19.525822|2.054908|2.011129|1.771648|1.620168|1.641323|1.827942|2.661401|1.367864|1.368179|2.604361|2.862102|5.869610|4.320448|2.330583|9.389189|4.939940|6.718177|9.564130|10.819575|388.023441|
|3.220058|3.904971|0.120249|3.253755|5.320482|4.005430|2.496521|2.247353|1.967230|1.950926|15.980578|1.749280|1.732297|1.554326|1.428937|1.437363|1.575817|2.350376|1.222871|1.226055|2.326976|2.273761|4.512350|3.554118|1.939865|6.387202|3.991613|6.071388|8.949186|7.004250|74.798215|36.858105|
|5.911769|6.222293|0.129858|5.662513|11.538837|5.527790|3.390786|2.744900|2.434822|2.600213|24.054407|2.046751|1.876712|1.655104|1.575998|1.671347|1.902140|2.783970|1.409794|1.355291|2.519033|2.524568|4.758909|3.840484|1.973893|10.717396|13.802779|10.950224|7.436970|5.468772|26.415351|3.099016|53.358707|
|17.591351|8.864239|0.216439|5.515845|8.034235|6.338388|3.535232|3.033917|2.511791|2.469845|21.157582|2.147152|1.986109|1.754135|1.663400|1.752328|1.985580|2.903829|1.462774|1.433266|2.658100|3.103366|6.426988|4.639157|2.491395|9.558902|5.652475|6.096897|6.006261|5.429481|32.665007|3.407756|7.131412|0.500000|
|17.637415|8.759546|0.174032|6.807690|10.670163|7.109547|4.031566|3.293058|2.765526|2.812698|25.285845|2.307155|2.080007|1.822939|1.743610|1.868687|2.151077|3.108263|1.550873|1.495881|2.765123|3.166865|6.224078|4.704223|2.435731|9.307504|6.383683|6.230250|5.526266|4.717864|26.602203|2.898659|9.984663|0.301110|0.500000|
|17.571794|8.810933|0.215395|6.927335|9.304791|8.841765|4.703443|3.969568|3.138044|3.027162|26.137847|2.608958|2.348409|2.038734|1.936230|2.071467|2.401926|3.406281|1.684422|1.641183|3.045623|4.081384|8.582378|5.858329|3.059806|7.601259|4.548644|4.877434|4.755216|4.267284|27.543451|2.881092|6.234982|0.300889|0.299972|0.500000|
|6.037579|7.515761|0.236458|9.282823|10.806617|25.909587|9.511070|7.413253|4.782394|4.308446|37.593071|3.664506|3.314503|2.706518|2.451602|2.579656|3.094619|4.038223|1.971912|1.946061|3.735684|7.655644|17.815434|8.951263|4.241022|6.738796|3.838094|4.329820|4.466305|4.127222|30.063732|3.026239|4.936491|0.135441|0.136908|0.193703|0.500000|
|2.498397|2.711205|0.072531|3.444206|6.452563|5.361140|5.445378|5.689273|8.825311|17.791894|55.481101|6.843295|5.108964|4.024015|3.817087|4.406046|5.977693|6.589761|3.065400|2.761338|5.426972|4.033503|5.926829|6.719420|2.952709|3.292080|2.287934|2.775413|2.694583|2.163004|14.847008|1.790450|3.239639|0.061001|0.069333|0.072788|0.096548|0.500000|
|2.250994|2.479083|0.071855|2.893499|4.868408|4.811355|4.380943|5.823847|6.999667|5.236781|28.031387|8.893932|17.727295|8.960876|5.654117|4.960820|5.657090|6.515221|3.206300|3.361937|7.548015|5.408579|7.519952|10.688184|4.606853|2.982418|1.973618|2.459826|2.519829|2.066622|15.487295|1.868552|2.634433|0.057014|0.059018|0.066773|0.098406|0.131561|0.500000|
|1.778411|1.894736|0.054537|2.123110|3.625641|3.353468|2.864964|3.502676|4.093393|3.440849|19.298397|5.622737|8.888264|17.731352|8.987571|5.671687|4.965792|7.511489|4.067906|4.845219|13.207569|3.493496|5.245077|7.372386|3.718377|2.330950|1.575528|1.994316|2.035052|1.635298|12.215711|1.522754|2.120348|0.045960|0.047203|0.052584|0.069193|0.094458|0.214444|0.500000|
|2.286282|2.328159|0.063698|2.749812|4.811326|4.398088|4.089821|5.030241|7.030580|6.125243|29.707152|8.880367|5.642925|4.966404|5.667369|8.996222|17.737120|13.253921|4.860808|4.069444|7.511483|4.281937|6.071854|8.323343|3.663828|2.764507|1.903646|2.320760|2.274537|1.831722|12.879276|1.558455|2.696413|0.056859|0.062780|0.069520|0.086021|0.170333|0.123898|0.107779|0.500000|
|1.506391|1.515886|0.042076|1.675341|2.940251|2.528808|2.109153|2.395278|2.781312|2.600990|15.146485|3.406569|3.236621|3.736870|5.130922|5.937702|4.369423|16.889299|17.626982|8.830662|10.161919|2.322571|3.634271|4.657540|2.435453|1.877535|1.314906|1.656962|1.639144|1.289395|9.211344|1.162181|1.840094|0.039034|0.041401|0.044776|0.051107|0.075791|0.076211|0.092659|0.117904|0.500000|
|1.524018|1.559173|0.043265|1.744546|3.086377|2.636696|2.234994|2.542256|3.062854|2.908226|16.419445|3.867470|3.772712|4.509315|6.427403|7.011265|4.903297|16.547047|17.543560|8.886882|12.788309|2.398205|3.711296|4.757738|2.422089|1.940445|1.358857|1.715269|1.698860|1.335599|9.543660|1.205554|1.895020|0.039326|0.041856|0.044960|0.052780|0.087389|0.087450|0.110686|0.124986|0.299811|0.500000|
|1.562757|1.582697|0.044709|1.733226|2.979695|2.665730|2.208894|2.593572|2.933929|2.590271|15.126853|3.750881|3.863745|4.883406|6.991457|6.409409|4.495134|12.798065|8.889101|17.542607|16.548297|2.643282|4.112781|5.602180|3.044352|1.944804|1.340779|1.692223|1.696581|1.346898|9.821997|1.233973|1.848397|0.040703|0.042229|0.046794|0.055054|0.072554|0.090168|0.124311|0.110515|0.213221|0.173959|0.500000|
|1.411184|1.440648|0.040556|1.577725|2.744781|2.390784|1.974890|2.263953|2.583725|2.363936|13.889208|3.226907|3.410954|4.365375|5.938816|5.128967|3.735476|10.163596|8.829258|17.626643|16.889254|2.251579|3.546377|4.597215|2.472937|1.794752|1.246788|1.585074|1.587851|1.250677|9.094468|1.155795|1.717542|0.036857|0.038324|0.041734|0.048900|0.067883|0.081623|0.117594|0.092733|0.209071|0.213113|0.299823|0.500000|
|2.853059|2.831869|0.085191|2.975899|4.606646|5.028634|3.806467|4.738519|3.946108|3.141284|20.824040|3.948739|3.787329|3.381512|3.161627|3.245525|3.605507|5.081833|2.471120|2.580866|4.875907|7.177904|12.815645|16.435063|17.639309|3.193801|2.055964|2.517323|2.592498|2.177977|16.646726|1.939285|2.750998|0.074025|0.071636|0.092495|0.119082|0.076223|0.103815|0.086405|0.095510|0.064242|0.062579|0.077970|0.063413|0.500000|
|2.344007|2.389883|0.070993|2.568977|4.106842|4.266292|3.409781|4.397211|4.066162|3.163992|19.716706|4.572839|4.757678|4.467447|4.088177|3.959855|4.164799|5.966165|2.924270|3.203890|6.246472|5.966536|9.242640|16.960658|17.672484|2.783740|1.821340|2.259736|2.325650|1.924306|14.695825|1.756701|2.439879|0.060910|0.060119|0.073249|0.096185|0.078605|0.126603|0.114548|0.103417|0.074282|0.072961|0.098585|0.077358|0.298432|0.500000|
|2.654695|2.777107|0.085639|2.929486|4.540447|4.964783|3.775948|4.748829|3.969830|3.136622|20.657739|4.032167|4.254610|3.747469|3.265430|3.155543|3.446477|4.787520|2.385601|2.555368|5.036230|7.221743|12.923242|16.428744|17.640829|3.193200|2.034938|2.524368|2.647038|2.232613|17.659831|2.064433|2.666283|0.069350|0.066220|0.082915|0.117989|0.076231|0.125115|0.099444|0.087366|0.060935|0.061481|0.075646|0.063417|0.300097|0.298441|0.500000|
|2.987976|3.663224|0.108890|3.185173|5.366315|3.882745|2.461417|2.201949|1.952691|1.960808|16.142340|1.733982|1.719269|1.542188|1.416363|1.423666|1.560575|2.327200|1.213213|1.213158|2.307045|2.185640|4.258858|3.425287|1.849598|6.133933|4.006775|6.306821|9.264009|6.571370|56.270202|17.660074|4.235549|0.085664|0.076411|0.074257|0.079679|0.050299|0.051603|0.042007|0.042851|0.031986|0.033380|0.033755|0.031817|0.050975|0.046811|0.054408|0.500000|
|3.183734|3.691795|0.110595|3.020227|4.982408|3.684530|2.303054|2.077386|1.828911|1.818587|14.866876|1.633502|1.608121|1.451952|1.346158|1.359899|1.486760|2.239383|1.166591|1.166784|2.200518|2.104718|4.168476|3.313010|1.817965|6.132501|4.000586|6.292470|9.265722|6.573950|56.252085|17.659898|4.240228|0.096249|0.080503|0.078325|0.077170|0.046572|0.047733|0.039443|0.041074|0.030931|0.031912|0.032678|0.030600|0.050945|0.045917|0.053323|0.299979|0.500000|
|2.887384|3.420323|0.107434|2.926302|4.757602|3.730796|2.362813|2.172143|1.907146|1.870765|15.015555|1.716144|1.718507|1.550432|1.420128|1.417759|1.544025|2.314980|1.209323|1.220507|2.321615|2.231407|4.436198|3.526024|1.948484|5.247409|3.298487|4.854896|6.530222|5.198392|57.603182|17.613328|3.632409|0.084684|0.071973|0.073711|0.079513|0.047781|0.051705|0.042476|0.042155|0.031901|0.033080|0.034171|0.032022|0.053897|0.049126|0.058236|0.298540|0.298567|0.500000|
|5.697628|6.269741|0.129431|6.649664|15.591951|6.246355|3.886188|3.049667|2.714725|2.961935|28.641812|2.240206|2.030101|1.774421|1.688599|1.802426|2.074249|2.990648|1.504770|1.438276|2.679704|2.722266|5.046649|4.105693|2.073767|9.586160|9.590467|8.487330|6.381883|4.896110|25.014462|2.898944|25.910323|0.131891|0.195216|0.128633|0.108996|0.074923|0.058040|0.046095|0.060321|0.039953|0.041366|0.039902|0.037066|0.058637|0.052284|0.056787|0.081525|0.079147|0.070375|0.500000|
|4.589407|4.719587|0.105370|4.413986|9.019213|4.590467|2.925744|2.426576|2.199247|2.360339|21.295462|1.876970|1.730291|1.540299|1.473468|1.559784|1.759401|2.615249|1.332965|1.279579|2.370684|2.237564|4.176065|3.462223|1.790669|8.025837|9.738779|10.518785|6.854041|4.664805|23.312623|2.880343|25.940142|0.118693|0.153279|0.103816|0.084789|0.061015|0.049423|0.040416|0.050904|0.035618|0.036687|0.035540|0.033236|0.050811|0.045590|0.049371|0.081441|0.081519|0.069156|0.320748|0.500000|
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