Version2.0
2019-11-14T06:34:55Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
27-Sep-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOc1ccc2c(c1)sc(n2)N(CCCN3CCOCC3)C(=O)c4cc(c(c(c4)OC)OC)OC C36705174
RHF
6-31G(d)
(6D,7F)
CCOc1ccc2c(c1)sc(n2)N(CCCN3CCOCC3)C(=O)c4cc(c(c(c4)OC)OC)OC
C01[X(C26H33N3O6S1)]
201
C1
610
CCOc1ccc2c(c1)sc(n2)N(C(=O)c1cc(OC)c(c(c1)OC)OC)CCCN1CCOCC1
CCOc1ccc2c(c1)sc(n2)N(C(=O)c1cc(OC)c(c(c1)OC)OC)CCCN1CCOCC1
CCOc1ccc2nc(sc2c1)N(CCCN3CCOCC3)C(=O)c4cc(OC)c(OC)c(OC)c4
InChIKey=KBZDGDRQZPJIKU-UHFFFAOYSA-N
InChI=1S/C26H33N3O6S/c1-5-35-19-7-8-20-23(17-19)36-26(27-20)29(10-6-9-28-11-13-34-14-12-28)25(30)18-15-21(31-2)24(33-4)22(16-18)32-3/h7-8,15-17H,5-6,9-14H2,1-4H3
InChI=1/C26H33N3O6S/c1-5-35-19-7-8-20-23(17-19)36-26(27-20)29(10-6-9-28-11-13-34-14-12-28)25(30)18-15-21(31-2)24(33-4)22(16-18)32-3/h7-8,15-17H,5-6,9-14H2,1-4H3
CCOc1ccc2c(c1)sc(n2)N(CCCN3CCOCC3)C(=O)c4cc(c(c(c4)OC)OC)OC
C01[X(C26H33N3O6S1)]
201
C01
610
CCOc1ccc2c(c1)sc(n2)N(C(=O)c1cc(OC)c(c(c1)OC)OC)CCCN1CCOCC1
CCOc1ccc2c(c1)sc(n2)N(C(=O)c1cc(OC)c(c(c1)OC)OC)CCCN1CCOCC1
CCOc1ccc2nc(sc2c1)N(CCCN3CCOCC3)C(=O)c4cc(OC)c(OC)c(OC)c4
InChIKey=KBZDGDRQZPJIKU-UHFFFAOYSA-N
InChI=1S/C26H33N3O6S/c1-5-35-19-7-8-20-23(17-19)36-26(27-20)29(10-6-9-28-11-13-34-14-12-28)25(30)18-15-21(31-2)24(33-4)22(16-18)32-3/h7-8,15-17H,5-6,9-14H2,1-4H3
InChI=1/C26H33N3O6S/c1-5-35-19-7-8-20-23(17-19)36-26(27-20)29(10-6-9-28-11-13-34-14-12-28)25(30)18-15-21(31-2)24(33-4)22(16-18)32-3/h7-8,15-17H,5-6,9-14H2,1-4H3
4019.2206528901
-2013.7606046
1-A
28185.0309
137
473
610
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10.53453
0.8948 -0.2840 2.1460
2.3424
|XX|YY|ZZ|XY|XZ|YZ|
-203.5155 -232.3460 -203.3050 17.8472 13.4930 -3.2351
|XX|YY|ZZ|XY|XZ|YZ|
9.5400 -19.2905 9.7505 17.8472 13.4930 -3.2351
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
289.8362 -139.2556 -1.5011 -6.2340 -35.9501 -17.1617 -85.3939 -0.2084 62.6796 18.5022
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-21828.8275 -11402.0127 -2166.2725 532.2056 657.5312 738.2806 176.2982 58.3075 -111.5034 -5730.7354 -4228.2825 -1964.8668 23.5643 -80.2451 93.7392
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
8.9249 13.3949 15.6545 18.7346 27.3090 35.0169 38.5761 54.1159 60.0864 69.4820 75.6610 88.4116 91.8484 96.2198 109.0324 111.8073 118.7943 137.7429 142.4720 159.4452 165.2987 190.3598 204.8119 208.5865 218.4690 229.0739 231.3687 254.5053 266.0330 269.9346 280.0012 282.5657 306.7703 317.6681 321.4320 330.9554 357.2397 363.4062 377.6755 386.0065 394.5957 403.7793 426.0281 448.0725 463.8898 488.1531 490.9721 499.4906 532.1512 537.7409 550.8955 563.6130 576.0281 581.9151 617.4645 664.1476 666.6468 675.1791 679.8170 694.0708 711.7073 714.2454 758.7774 774.5783 803.9762 812.1196 814.0816 828.0618 853.5465 866.7418 880.1886 898.8218 899.4282 929.6102 937.0556 948.3019 961.7654 968.7063 973.5411 979.1538 981.2246 1005.3985 1027.3813 1035.3008 1039.1998 1071.6385 1104.6400 1127.8243 1141.4147 1148.4605 1154.0483 1156.7866 1166.5046 1187.9117 1194.7129 1205.6715 1216.0532 1229.2430 1246.9389 1255.9136 1258.5169 1272.5309 1285.8310 1289.0817 1291.2727 1293.2971 1293.5140 1300.4404 1303.8173 1304.4763 1315.0280 1327.9118 1335.4103 1349.6551 1351.3596 1356.1055 1366.5162 1402.6890 1403.9778 1408.1001 1414.5537 1419.2870 1427.9833 1431.3058 1432.2081 1439.3580 1457.4748 1465.1161 1479.9971 1501.4137 1508.4096 1541.4004 1544.2015 1545.5863 1557.5383 1568.9948 1579.3930 1585.3213 1588.1199 1588.9449 1597.3224 1621.7095 1629.0882 1637.3333 1640.6186 1641.5259 1643.8683 1645.0518 1646.8025 1647.8861 1649.0460 1649.5435 1651.9344 1652.0236 1653.9009 1654.4788 1659.1106 1659.6138 1663.3466 1668.1423 1683.5939 1703.9137 1751.2921 1765.0019 1786.1594 1795.0751 1817.1955 1948.0758 3107.9333 3120.6903 3131.6465 3187.8886 3196.9689 3200.7776 3210.2736 3212.6270 3216.5725 3219.8992 3220.0893 3234.3452 3239.5038 3249.8662 3272.2349 3274.0183 3277.5289 3282.0688 3282.0890 3285.5640 3288.0402 3290.8054 3296.0844 3317.1889 3323.0924 3333.8826 3334.0707 3372.6791 3385.0807 3395.3172 3409.2145 3411.8195 3424.4379
5.3616 4.8539 3.3129 4.1694 5.0810 4.7129 4.8122 2.8902 5.6146 4.4989 2.6569 5.4730 3.9021 4.3545 2.8214 1.9623 4.8950 2.9740 5.0941 1.0808 4.3469 3.9074 3.7327 3.6646 5.4283 1.9290 3.1473 3.6042 2.2243 2.0568 1.2911 1.4987 4.0762 2.0840 5.6108 4.3236 3.7871 2.7288 4.8232 3.3950 4.5399 4.8527 5.0079 2.5666 3.8517 4.2691 4.3095 6.1151 3.0101 4.7947 4.6707 5.9670 6.8402 6.6674 5.4461 4.1762 3.0615 3.9695 4.6747 3.4899 7.1465 6.0617 3.8583 7.0129 2.1149 4.6147 1.7820 6.3567 4.7038 5.3251 3.3110 3.8608 1.1410 1.3814 1.6599 1.5578 2.2505 1.5228 2.3730 1.4818 2.7821 2.2441 3.1101 5.8809 3.2001 1.3389 3.1319 2.3291 2.3277 5.9097 2.3813 3.7821 5.2700 3.7726 5.0124 1.6955 1.9901 2.0398 5.6977 2.0892 2.3565 2.3013 2.8407 1.2564 3.1156 1.2672 1.2676 1.5150 3.6545 2.8523 2.1437 1.4989 1.5209 1.7327 1.2373 2.0062 1.7930 1.6466 3.2051 1.5722 3.1472 1.9279 4.4156 1.6793 1.0988 1.3542 1.3548 1.1508 1.3673 3.0815 1.2707 1.5829 1.5705 1.3853 1.4707 1.4098 2.1894 1.6012 2.4146 1.8183 1.5643 1.2303 1.0411 1.0896 1.2658 1.3080 1.0965 1.0694 1.1481 1.0848 1.1499 2.2479 1.0480 1.0491 1.0589 1.1282 1.0511 1.0603 1.1147 1.1080 1.1361 4.1445 9.4795 6.1916 7.4994 5.4966 6.4522 12.9715 1.0738 1.0739 1.0737 1.0689 1.0700 1.0548 1.0345 1.0341 1.0384 1.0717 1.0316 1.0859 1.1094 1.0894 1.0884 1.1077 1.1078 1.1007 1.0978 1.0976 1.1078 1.0994 1.1053 1.0624 1.1048 1.1021 1.1020 1.1053 1.0909 1.0931 1.0916 1.0937 1.0918
0.0003 0.0005 0.0005 0.0009 0.0022 0.0034 0.0042 0.0050 0.0119 0.0128 0.0090 0.0252 0.0194 0.0238 0.0198 0.0145 0.0407 0.0332 0.0609 0.0162 0.0700 0.0834 0.0923 0.0939 0.1526 0.0596 0.0993 0.1375 0.0927 0.0883 0.0596 0.0705 0.2260 0.1239 0.3416 0.2790 0.2848 0.2123 0.4053 0.2980 0.4165 0.4661 0.5355 0.3036 0.4884 0.5994 0.6121 0.8989 0.5022 0.8169 0.8352 1.1168 1.3372 1.3302 1.2234 1.0853 0.8016 1.0662 1.2729 0.9905 2.1328 1.8219 1.3088 2.4790 0.8054 1.7932 0.6958 2.5681 2.0191 2.3570 1.5113 1.8377 0.5438 0.7034 0.8587 0.8254 1.2265 0.8419 1.3251 0.8370 1.5782 1.3365 1.9341 3.7139 2.0361 0.9059 2.2516 1.7455 1.7868 4.5924 1.8686 2.9819 4.2251 3.1366 4.2152 1.4521 1.7340 1.8160 5.2197 1.9416 2.1990 2.1956 2.7673 1.2301 3.0608 1.2488 1.2496 1.5095 3.6603 2.8597 2.1841 1.5572 1.5981 1.8596 1.3313 2.1737 1.9727 1.9088 3.7224 1.8366 3.7104 2.2881 5.3050 2.0270 1.3280 1.6530 1.6957 1.4554 1.7646 4.0928 1.7034 2.2158 2.2065 1.9497 2.1021 2.0447 3.2178 2.3710 3.5881 2.7048 2.3515 1.9064 1.6280 1.7210 2.0074 2.0765 1.7459 1.7051 1.8345 1.7356 1.8423 3.6037 1.6850 1.6870 1.7065 1.8196 1.7047 1.7207 1.8171 1.8165 1.8973 7.0895 17.1298 11.3643 14.0968 10.4354 12.5533 29.0037 6.1112 6.1619 6.2039 6.4004 6.4432 6.3671 6.2813 6.2885 6.3300 6.5462 6.3021 6.6928 6.8595 6.7789 6.8665 6.9955 7.0111 6.9856 6.9675 6.9812 7.0566 7.0147 7.0747 6.8879 7.1883 7.2172 7.2174 7.4079 7.3652 7.4248 7.4751 7.5013 7.5438
0.0636 0.2325 0.0067 0.0389 0.0048 1.1170 0.5355 6.0695 2.2381 0.8131 3.6799 0.3790 1.2867 1.1628 1.3320 1.7151 2.2715 1.4265 1.1276 0.2185 6.1304 5.5375 2.2503 1.6555 2.8976 0.3430 0.8692 6.8033 1.2212 0.9860 1.7611 5.9153 0.4996 1.5973 3.5793 5.1123 0.7049 15.4954 9.3256 1.0893 0.8661 14.7185 3.7844 0.6533 1.4027 1.6541 2.1815 6.1210 0.9974 0.3776 6.2273 5.0706 3.3527 1.5034 9.0002 2.2522 3.5747 6.5441 0.1610 9.6135 4.7952 9.6700 19.0972 6.8689 16.4358 0.0302 16.8303 54.0885 13.7652 44.5035 14.0097 24.3328 8.4127 28.7551 32.7126 8.5946 28.2012 10.1206 13.4440 35.0171 79.3041 15.8790 1.5513 0.7039 21.5124 0.3256 14.0047 18.6794 5.5405 102.3619 1.5121 6.8340 8.1945 103.2061 8.0760 3.6627 51.9450 17.7513 42.8336 48.9486 47.7338 45.2250 53.0725 1.2537 40.9543 5.5310 0.8409 4.8109 350.6547 25.0703 257.7227 0.6912 1.8090 59.4726 18.4300 110.5367 198.4250 209.6124 229.3048 255.0808 476.7685 83.4217 107.6645 19.2116 1.0994 12.4007 17.1331 6.8814 9.5380 93.8880 3.3989 108.8008 343.5831 64.5589 139.0069 65.6056 9.7061 22.8240 294.9509 78.3023 30.4849 23.1274 3.5618 2.5871 5.4438 11.8358 8.5956 12.3840 43.6761 3.7365 21.4552 189.6169 3.7640 6.9879 1.7005 19.2823 35.9582 7.1374 5.9177 2.2419 0.4911 108.6910 270.9354 30.9105 226.9671 7.0956 164.5528 313.5525 28.4729 19.9588 128.5487 17.7397 98.7312 32.8360 45.9392 44.5377 36.8231 6.9196 58.9164 10.6071 39.1016 75.4510 49.1836 49.8253 49.7984 5.9963 101.2300 45.9803 42.3500 28.0353 48.3536 19.1122 52.9471 38.4744 47.1783 19.7548 8.9566 4.5061 2.9176 18.6678 1.4353
0.7384 1.3758 1.0556 1.5652 4.4890 1.9802 0.5932 0.0343 0.4361 0.3503 0.2247 0.3962 0.7013 0.5058 0.6007 0.2839 1.5102 0.1193 1.8323 0.1310 0.5946 1.0402 0.8611 0.3260 0.7058 2.1291 0.8215 0.8447 0.7397 0.5035 0.2062 0.3703 0.4821 0.7507 2.7559 1.5277 0.9939 0.4652 1.0040 0.8155 5.2313 1.9044 2.3173 0.6491 1.8001 2.6540 2.1309 0.9510 1.6916 3.3933 2.0536 1.6140 2.8685 8.1574 7.0382 0.9519 2.0346 1.0991 0.2985 0.4484 2.5155 2.7879 8.5380 8.9447 4.4391 3.8563 1.5018 4.0226 16.1014 2.5906 7.6530 8.1463 0.7394 0.5099 7.2360 2.1101 13.3416 1.4424 1.9636 2.0721 1.9689 2.2041 6.5280 1.0777 7.7544 1.1620 7.7352 6.0381 4.4166 14.6121 3.0632 9.3411 7.2341 10.2996 15.0242 0.2695 1.4393 0.4576 13.3100 2.6944 1.1046 5.3079 8.1360 5.3225 1.2115 2.0083 6.1215 1.4524 4.2847 63.1881 15.4046 0.9559 2.1771 6.3559 8.5950 12.1237 13.4089 0.1518 10.3014 6.0854 0.5356 47.1305 77.1485 64.6211 16.1213 7.5180 18.2678 32.3793 4.5301 38.3705 3.2188 7.2976 4.6462 4.5236 7.7607 4.3935 8.7242 1.8821 6.6726 4.7457 4.2885 9.3369 25.3286 7.4164 8.3519 3.5128 51.8412 28.3418 25.0702 24.5150 6.5578 55.7604 24.4903 18.0779 16.7949 9.7190 9.0009 18.0148 5.0078 11.1831 25.0563 14.3612 368.1425 173.9153 1.6548 143.9160 115.0611 112.8218 16.2914 7.8205 154.0480 11.6407 99.8198 40.2259 83.8058 97.4825 173.2008 52.9877 96.6048 8.6533 64.6463 74.0296 72.4264 36.4389 38.5496 131.8688 62.3141 156.3214 35.6589 43.4973 44.0655 66.8292 156.3714 142.5443 148.1840 53.2231 49.9274 87.5018 42.4871 136.3800 42.1433
0.7441 0.7456 0.7449 0.7401 0.7500 0.7409 0.7397 0.7422 0.7268 0.7439 0.7500 0.7237 0.6612 0.7493 0.7243 0.7176 0.3955 0.3576 0.3284 0.7430 0.2458 0.5224 0.1055 0.7486 0.5069 0.6581 0.7379 0.7450 0.7364 0.7148 0.3771 0.5869 0.2759 0.6756 0.3605 0.3291 0.5213 0.2949 0.4749 0.6018 0.1887 0.2245 0.2685 0.2328 0.4570 0.5833 0.6136 0.4242 0.5684 0.2600 0.6841 0.4304 0.5667 0.5336 0.1550 0.5624 0.5204 0.1413 0.7243 0.3850 0.6669 0.2379 0.1244 0.1242 0.4834 0.7500 0.5969 0.3491 0.0234 0.7436 0.2244 0.4955 0.7352 0.7495 0.1299 0.7222 0.1598 0.7007 0.6106 0.7390 0.1800 0.0862 0.2318 0.6129 0.2792 0.7499 0.7495 0.7489 0.5876 0.6978 0.4791 0.0459 0.4897 0.1931 0.2945 0.4718 0.5952 0.1466 0.7472 0.1414 0.6349 0.4875 0.7126 0.7497 0.5899 0.7469 0.7491 0.7301 0.4500 0.2769 0.0615 0.5659 0.5767 0.5735 0.7490 0.3780 0.2917 0.7301 0.3760 0.5629 0.5758 0.3807 0.2740 0.2651 0.7498 0.4895 0.5426 0.7470 0.7019 0.1840 0.7392 0.6529 0.5585 0.6570 0.3205 0.6854 0.7204 0.7495 0.5842 0.1639 0.2914 0.7104 0.7499 0.5589 0.5843 0.4980 0.5174 0.6127 0.2212 0.7092 0.5318 0.4088 0.7493 0.7468 0.7253 0.2973 0.7474 0.6337 0.3932 0.7399 0.4772 0.2413 0.2872 0.4562 0.6924 0.5380 0.3691 0.2222 0.3060 0.7451 0.2126 0.7453 0.1619 0.2588 0.0241 0.0254 0.0174 0.1636 0.0046 0.6134 0.7500 0.3791 0.1862 0.7454 0.7500 0.7380 0.7428 0.1777 0.7477 0.6628 0.7499 0.0871 0.5106 0.7487 0.2745 0.5287 0.6042 0.2956 0.2100 0.1959 0.2177
0.8533 0.8543 0.8538 0.8506 0.8571 0.8512 0.8504 0.8520 0.8418 0.8532 0.8571 0.8397 0.7961 0.8567 0.8401 0.8356 0.5669 0.5268 0.4944 0.8526 0.3946 0.6863 0.1908 0.8562 0.6728 0.7938 0.8492 0.8539 0.8482 0.8337 0.5477 0.7397 0.4325 0.8064 0.5299 0.4952 0.6853 0.4555 0.6440 0.7514 0.3174 0.3667 0.4233 0.3777 0.6273 0.7368 0.7605 0.5957 0.7248 0.4127 0.8124 0.6018 0.7234 0.6959 0.2684 0.7199 0.6846 0.2476 0.8401 0.5560 0.8002 0.3844 0.2213 0.2209 0.6518 0.8571 0.7476 0.5175 0.0457 0.8529 0.3665 0.6627 0.8474 0.8568 0.2300 0.8387 0.2756 0.8240 0.7582 0.8499 0.3051 0.1587 0.3764 0.7600 0.4365 0.8571 0.8568 0.8564 0.7402 0.8220 0.6478 0.0877 0.6574 0.3236 0.4550 0.6411 0.7462 0.2556 0.8553 0.2477 0.7766 0.6555 0.8322 0.8569 0.7420 0.8551 0.8566 0.8440 0.6207 0.4337 0.1159 0.7228 0.7315 0.7290 0.8565 0.5486 0.4517 0.8440 0.5465 0.7203 0.7308 0.5514 0.4302 0.4190 0.8570 0.6572 0.7035 0.8552 0.8248 0.3108 0.8501 0.7900 0.7168 0.7930 0.4854 0.8133 0.8375 0.8568 0.7375 0.2817 0.4513 0.8307 0.8571 0.7171 0.7376 0.6649 0.6820 0.7599 0.3622 0.8299 0.6944 0.5804 0.8567 0.8550 0.8407 0.4584 0.8554 0.7758 0.5645 0.8505 0.6461 0.3888 0.4462 0.6266 0.8182 0.6996 0.5392 0.3636 0.4686 0.8540 0.3507 0.8541 0.2787 0.4112 0.0470 0.0496 0.0341 0.2812 0.0092 0.7604 0.8571 0.5498 0.3139 0.8542 0.8571 0.8493 0.8525 0.3017 0.8556 0.7972 0.8571 0.1603 0.6760 0.8563 0.4308 0.6917 0.7533 0.4564 0.3471 0.3277 0.3576
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 60 61 62 63 64 65 66 67 68 69
6 6 8 6 6 6 6 6 6 16 6 7 7 6 6 6 7 6 6 8 6 6 6 8 6 6 6 6 6 6 8 6 8 6 8 6 1 1 1 1 1 1 1 1 1 1 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 15.99491 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
17123.9124 36481.0783 47677.6577
1.00000 0.00079 0.00201 -0.00078 1.00000 -0.00235 -0.00201 0.00235 1.00000
1
0.00506 0.00237 0.00182
0.10539 0.04947 0.03785
12.84 19.27 22.52 26.95 39.29 50.38 55.50 77.86 86.45 99.97 108.86 127.20 132.15 138.44 156.87 160.87 170.92 198.18 204.99 229.41 237.83 273.89 294.68 300.11 314.33 329.59 332.89 366.18 382.76 388.38 402.86 406.55 441.37 457.05 462.47 476.17 513.99 522.86 543.39 555.38 567.74 580.95 612.96 644.68 667.43 702.34 706.40 718.66 765.65 773.69 792.62 810.91 828.78 837.25 888.39 955.56 959.16 971.43 978.11 998.61 1023.99 1027.64 1091.71 1114.45 1156.74 1168.46 1171.28 1191.40 1228.06 1247.05 1266.40 1293.20 1294.08 1337.50 1348.21 1364.39 1383.77 1393.75 1400.71 1408.78 1411.76 1446.54 1478.17 1489.57 1495.18 1541.85 1589.33 1622.69 1642.24 1652.38 1660.42 1664.36 1678.34 1709.14 1718.93 1734.69 1749.63 1768.61 1794.07 1806.98 1810.73 1830.89 1850.02 1854.70 1857.85 1860.77 1861.08 1871.04 1875.90 1876.85 1892.03 1910.57 1921.36 1941.85 1944.30 1951.13 1966.11 2018.16 2020.01 2025.94 2035.23 2042.04 2054.55 2059.33 2060.63 2070.92 2096.98 2107.98 2129.39 2160.20 2170.27 2217.73 2221.76 2223.75 2240.95 2257.43 2272.39 2280.92 2284.95 2286.14 2298.19 2333.28 2343.89 2355.76 2360.48 2361.79 2365.16 2366.86 2369.38 2370.94 2372.61 2373.33 2376.77 2376.89 2379.59 2380.43 2387.09 2387.81 2393.18 2400.08 2422.32 2451.55 2519.72 2539.44 2569.89 2582.71 2614.54 2802.85 4471.62 4489.98 4505.74 4586.66 4599.73 4605.21 4618.87 4622.25 4627.93 4632.72 4632.99 4653.50 4660.92 4675.83 4708.02 4710.58 4715.63 4722.16 4722.19 4727.19 4730.76 4734.73 4742.33 4772.69 4781.19 4796.71 4796.98 4852.53 4870.38 4885.10 4905.10 4908.85 4927.00
0.614543
0.648371
0.649316
0.542506
-2013.146061
-2013.112233
-2013.111289
-2013.218099
3.582425D-04
MUNgauss
RevisionA1.9
retrievium
14-Nov-2019
DUDE CCOc1ccc2c(c1)sc(n2)N(CCCN3CCOCC3)C(=O)c4cc(c(c(c4)OC)OC)OC C36705174
RHF
6-31G(d)
(6D,10F)
C1
515.208967
|X|Y|Z|
135.685388 88.914800 43.228243
80.493023
26
|36.858105|
|12.572438|36.858105|
|8.086656|13.561325|73.516695|
|5.225871|7.962585|25.072876|36.858105|
|4.396700|6.690433|13.951982|13.634952|36.858105|
|3.338108|4.504295|9.220441|7.894759|13.775517|36.858105|
|2.977961|3.787780|8.209200|6.861066|7.960674|13.756182|36.858105|
|3.208973|3.995342|9.457967|8.012321|6.929405|7.954199|13.691855|36.858105|
|4.096797|5.254527|14.623610|13.738086|7.887919|6.807068|7.857339|13.786460|36.858105|
|2.549917|2.966358|6.586203|4.689621|4.251703|4.890497|7.413115|10.896516|6.739998|388.023441|
|2.286760|2.695069|5.660395|4.053675|4.161065|5.411276|8.670385|7.792288|4.982712|76.572094|36.858105|
|2.447559|2.972447|6.153545|4.581789|5.146992|7.727909|13.741787|8.126356|5.235045|52.316589|15.002677|53.358707|
|1.958692|2.252000|4.590578|3.125798|3.221068|3.999784|5.409512|4.980950|3.667694|48.476110|13.640874|11.194195|53.358707|
|1.818505|2.091722|4.141958|2.785328|2.990100|3.763237|4.665633|3.979847|3.091357|32.946682|7.833312|9.602489|17.574948|36.858105|
|1.771421|2.031393|3.979611|2.648732|2.860609|3.548680|4.208911|3.605740|2.886671|28.625690|6.002676|7.938886|10.387310|12.464209|36.858105|
|1.629120|1.857253|3.551992|2.320206|2.549568|3.105387|3.431727|2.924327|2.443408|21.992104|4.227092|5.999351|6.754243|7.567762|12.463282|36.858105|
|1.570416|1.778018|3.363772|2.165463|2.372530|2.812850|3.013015|2.618600|2.249836|19.293001|3.462913|4.936996|5.207115|4.983138|7.655182|13.121294|53.358707|
|1.484876|1.674226|3.113796|1.979646|2.190036|2.556348|2.638780|2.292338|2.014653|16.448516|2.866004|4.173870|4.195027|3.890694|5.065915|7.904308|17.836702|36.858105|
|1.423449|1.590647|2.933261|1.838245|2.016555|2.293764|2.333626|2.068850|1.856549|14.722605|2.462290|3.557211|3.519881|3.074129|3.891952|5.086161|10.646336|12.536109|36.858105|
|1.340171|1.483063|2.750039|1.711439|1.843203|2.072394|2.142966|1.942870|1.748864|14.127060|2.322283|3.260914|3.371127|2.887181|3.658210|4.537697|9.188381|7.915304|13.614140|73.516695|
|1.397888|1.548803|2.906767|1.819618|1.940380|2.192424|2.316815|2.118170|1.887019|15.710412|2.589827|3.566173|3.805330|3.234810|4.308399|5.068239|10.647039|6.809550|8.213118|24.209068|36.858105|
|1.455488|1.624776|3.082085|1.956357|2.091607|2.415596|2.614750|2.362583|2.055405|17.910269|3.080071|4.190165|4.722769|4.244391|6.145682|7.836139|17.833351|8.000332|6.803612|14.058363|12.531351|36.858105|
|1.817001|2.043092|4.164731|2.748211|2.734109|3.210584|4.136278|4.175195|3.259386|43.768853|7.889413|7.261591|18.785949|7.607481|5.715935|4.060695|4.503821|2.702222|2.328538|4.080212|2.614054|3.197574|36.858105|
|1.881654|2.096815|4.338875|2.836620|2.726648|3.105488|4.007485|4.370909|3.469597|50.759158|6.952407|6.474829|11.501853|5.323807|4.500971|3.350884|3.915541|2.388881|2.116102|3.734468|2.392711|2.825825|15.914702|73.516695|
|1.594078|1.768808|3.528758|2.272919|2.283971|2.634647|3.197981|3.161661|2.602601|29.592178|5.050026|5.408570|10.442054|6.474235|5.070696|3.957084|4.376893|2.666051|2.286639|4.072920|2.594808|3.214070|12.666353|14.494701|36.858105|
|1.479524|1.623445|3.216115|2.038482|2.035068|2.302331|2.726808|2.730061|2.313520|24.886703|3.968757|4.432829|7.282244|4.866682|4.433538|3.608512|4.212812|2.565438|2.251458|4.122785|2.669669|3.271210|7.715068|11.604444|13.777520|36.858105|
|1.339553|1.457801|2.852668|1.784363|1.788501|2.000093|2.305363|2.292953|1.989476|19.979480|3.135014|3.666727|5.437094|3.895230|3.617914|3.187903|3.800274|2.389712|2.114879|3.914615|2.490359|2.999810|5.075932|7.998001|7.959425|13.701695|36.858105|
|1.298117|1.412720|2.747581|1.715525|1.731451|1.937420|2.209635|2.173750|1.894434|18.522937|2.941929|3.511901|5.058330|3.743211|3.330250|3.050090|3.574437|2.308223|2.021966|3.691602|2.287998|2.745009|4.465098|6.884967|6.888781|7.903422|13.688123|36.858105|
|1.375282|1.507305|2.939463|1.851136|1.879065|2.124884|2.441806|2.378080|2.047577|20.290428|3.315005|3.943995|5.836733|4.333231|3.566236|3.238614|3.660111|2.372262|2.041218|3.644132|2.233461|2.700604|5.038047|7.393643|7.956938|6.844897|7.902699|13.672944|36.858105|
|1.527810|1.692585|3.341357|2.139608|2.172270|2.500388|2.962511|2.876516|2.405397|25.471769|4.356601|4.956177|8.351075|5.840984|4.354637|3.696494|4.036020|2.550874|2.168052|3.818451|2.365096|2.901372|7.574926|9.930957|13.743543|7.893673|6.842394|7.901490|13.714554|36.858105|
|1.307047|1.427072|2.757598|1.723086|1.757101|1.971381|2.219687|2.149716|1.879895|17.740946|2.860289|3.517984|4.781001|3.628586|3.024146|2.866136|3.280762|2.192923|1.894866|3.358097|2.014985|2.391197|3.867118|5.897779|5.215487|4.620190|5.291316|8.223825|14.185254|7.889309|73.516695|
|1.356840|1.487621|2.867919|1.797016|1.844786|2.076285|2.323219|2.227589|1.948136|18.022917|2.930874|3.673175|4.779506|3.643735|2.941561|2.809032|3.183234|2.157065|1.853041|3.226266|1.912276|2.254803|3.671501|5.603171|4.527253|3.792597|3.982598|5.264648|8.020727|6.746565|24.185843|36.858105|
|1.189619|1.285732|2.478142|1.531257|1.547251|1.712833|1.917312|1.884800|1.670944|15.638851|2.440283|2.988375|4.022145|3.026536|2.779079|2.648104|3.189976|2.114459|1.878655|3.454365|2.108440|2.471131|3.390759|5.420540|4.627740|5.226916|8.012070|14.089989|8.013717|5.228916|12.771510|4.704667|73.516695|
|1.143136|1.226043|2.362230|1.446898|1.448713|1.584246|1.765428|1.759991|1.580061|14.573882|2.203430|2.700189|3.529244|2.576190|2.365439|2.238798|2.738594|1.833383|1.653756|3.033493|1.841053|2.107940|2.988956|4.966840|3.866838|4.301229|5.977730|8.150287|5.961666|4.290071|10.430176|4.177619|24.049683|36.858105|
|1.249877|1.349328|2.624304|1.623485|1.621908|1.790898|2.032655|2.032860|1.795917|17.346950|2.646731|3.161178|4.373717|3.161896|3.089731|2.803972|3.486731|2.222931|2.015132|3.802381|2.422683|2.834200|3.901121|6.502602|5.218543|7.888703|14.190764|8.226641|5.290362|4.619274|7.314365|3.216578|12.759007|5.882675|73.516695|
|1.262574|1.358910|2.647921|1.632487|1.620638|1.778182|2.017610|2.037678|1.810802|17.413581|2.598541|3.101530|4.189487|2.977091|3.029001|2.712031|3.475854|2.194965|2.029190|3.880972|2.520592|2.888673|3.719625|6.471187|4.533153|6.751700|8.022985|5.265748|3.982989|3.793414|5.718823|2.663906|8.354535|4.193167|24.171250|36.858105|
|17.577746|8.863772|12.956634|4.877626|4.017482|3.137118|2.869122|3.145827|4.022418|18.091103|2.250057|3.236727|2.630937|1.786441|1.756789|1.608501|2.124891|1.469376|1.417333|2.385948|1.406606|1.457434|1.808148|3.357053|1.583930|1.481356|1.338981|1.289214|1.356982|1.505498|2.281955|1.322973|2.100296|1.136342|2.230850|1.275896|0.500000|
|17.552457|8.872845|10.253698|4.232990|3.843404|3.005985|2.654599|2.780111|3.390437|16.041414|2.071283|3.030617|2.448280|1.692739|1.657054|1.542842|2.035696|1.427603|1.375532|2.297748|1.338756|1.385850|1.668934|3.049068|1.480113|1.378798|1.256777|1.222026|1.292433|1.426151|2.194441|1.282372|2.001246|1.081955|2.091783|1.187077|0.300390|0.500000|
|17.577529|8.863651|12.957454|4.875661|4.017064|3.136367|2.867949|3.144011|4.019244|18.067477|2.249421|3.235984|2.633055|1.783018|1.716426|1.574869|2.051429|1.423295|1.358014|2.281156|1.339549|1.401812|1.808714|3.344348|1.590420|1.472484|1.335818|1.298986|1.379913|1.531700|2.338585|1.369860|2.117509|1.149776|2.212659|1.253188|0.300981|0.300389|0.500000|
|8.849858|17.540699|16.529688|7.070578|6.784123|4.611789|3.763721|3.824959|4.786082|20.309840|2.663088|4.051403|3.045111|2.098062|2.013883|1.857876|2.402353|1.674543|1.580277|2.605017|1.520199|1.602134|2.015297|3.635715|1.756331|1.600920|1.443848|1.410783|1.515523|1.700372|2.568589|1.519200|2.286224|1.225641|2.367363|1.331334|0.173420|0.212632|0.212173|0.500000|
|8.849468|17.541147|16.530182|7.077394|6.786639|4.614425|3.766592|3.828499|4.791876|20.344549|2.664266|4.053043|3.041954|2.103712|2.080024|1.913843|2.522815|1.751060|1.676026|2.764512|1.620442|1.686769|2.014590|3.652203|1.747658|1.612390|1.447883|1.398326|1.485340|1.664787|2.494167|1.456018|2.264656|1.209436|2.389744|1.358691|0.212177|0.212609|0.173416|0.300993|0.500000|
|4.687563|7.447364|12.511125|8.857317|17.769444|8.982703|5.671876|4.985352|5.622538|24.408116|3.429007|5.664330|3.783837|2.654413|2.574008|2.362069|3.035574|2.101074|1.955069|3.158863|1.846722|1.965578|2.392304|4.216589|2.047426|1.843027|1.640838|1.596912|1.725841|1.966811|2.896080|1.712868|2.561166|1.351620|2.664798|1.496753|0.115130|0.118311|0.115160|0.227341|0.227114|0.500000|
|2.976613|3.897478|7.428249|5.620504|8.905801|17.730993|8.929582|5.652338|4.918733|28.831909|4.810759|9.485570|5.168467|3.808834|3.646513|3.322598|4.095654|2.788911|2.476625|3.897362|2.285403|2.518516|3.022098|5.069385|2.547886|2.232256|1.960182|1.913817|2.102309|2.451822|3.494713|2.079724|3.024510|1.563848|3.124456|1.735808|0.077511|0.076654|0.077501|0.113557|0.113591|0.216197|0.500000|
|4.120973|4.867473|13.496313|8.951309|5.632600|4.919846|5.591091|8.831698|17.742580|43.907566|4.283181|5.760629|4.513834|2.775874|2.602460|2.213666|2.796281|1.843551|1.713681|2.902338|1.765228|1.910505|3.083122|6.016680|2.489445|2.243882|1.937743|1.837964|1.970167|2.293072|3.216718|1.863049|2.892874|1.553580|3.132202|1.786372|0.115925|0.093291|0.115794|0.120250|0.120407|0.123978|0.106979|0.500000|
|1.664205|1.888241|3.706034|2.439864|2.588004|3.147505|3.760427|3.340432|2.689821|27.865065|5.782905|7.027847|12.473286|17.710816|8.864603|6.888431|6.265515|3.712957|2.932270|4.987441|3.114871|4.119181|7.243009|8.867670|7.685743|5.537284|4.553833|4.547108|5.502764|7.634506|7.939845|4.397400|6.351546|2.943857|6.320184|3.213836|0.045407|0.043251|0.045590|0.052791|0.052510|0.064823|0.088733|0.068442|0.500000|
|1.896578|2.207843|4.339868|2.950625|3.267026|4.252284|5.156066|4.122207|3.200814|31.517700|7.489866|11.019125|12.536672|17.681375|8.818366|6.930747|6.346993|3.866748|3.028998|4.907941|2.992753|3.791148|5.768161|7.853049|4.986907|3.878810|3.264697|3.243327|3.805072|4.914716|5.984589|3.543650|4.814646|2.345199|4.828852|2.556071|0.051230|0.049161|0.051606|0.062313|0.061657|0.080743|0.123658|0.078309|0.303553|0.500000|
|1.927561|2.237616|4.405825|2.978857|3.257263|4.128483|4.933321|4.096494|3.235891|31.138039|6.533407|9.292423|9.491574|8.839598|17.599098|8.907437|9.645755|4.848983|3.905785|6.386858|4.227471|5.534808|5.135876|7.699364|4.265641|3.794620|3.114698|2.858762|3.039869|3.670645|4.673656|2.591633|4.317689|2.117281|4.847564|2.735418|0.053255|0.049895|0.051422|0.061147|0.064303|0.080568|0.117458|0.079666|0.173953|0.210560|0.500000|
|1.683460|1.904968|3.742936|2.453140|2.580825|3.094073|3.668536|3.323058|2.707372|27.573876|5.307961|6.510882|9.495154|8.912130|17.547841|8.790663|9.277695|4.539124|3.686922|6.526943|4.550521|6.655626|6.110785|8.647405|5.648678|5.311467|4.183170|3.652307|3.745261|4.504924|5.477340|2.892516|5.344046|2.534982|6.369444|3.589849|0.046739|0.043710|0.045435|0.052052|0.054043|0.064680|0.086321|0.069260|0.214677|0.174109|0.302366|0.500000|
|1.511969|1.706468|3.255959|2.102144|2.280439|2.724106|3.006858|2.628087|2.221080|20.145722|3.765981|5.160224|6.259011|6.909421|8.800005|17.389572|12.274646|6.805713|4.557590|7.597037|4.663868|7.183898|3.969181|5.755761|4.159795|3.830865|3.502441|3.428781|3.637005|4.027197|5.732079|3.111477|5.307617|2.462402|5.430659|2.874121|0.041428|0.039867|0.040865|0.047585|0.048480|0.058983|0.080177|0.056584|0.206612|0.171831|0.173570|0.210318|0.500000|
|1.688838|1.942850|3.686908|2.423099|2.726979|3.383444|3.638610|2.996147|2.507565|21.674377|4.206020|6.364295|6.376724|7.060377|8.941970|17.554771|12.612154|7.637465|4.857480|7.229413|4.245043|5.716982|3.713534|5.513364|3.548555|3.156493|2.820251|2.767640|3.009897|3.441689|4.870818|2.772370|4.321556|2.085429|4.413622|2.385131|0.045953|0.044561|0.045277|0.054514|0.055706|0.070676|0.104083|0.062341|0.173288|0.213185|0.214189|0.173996|0.302664|0.500000|
|1.389283|1.555770|2.890613|1.825911|2.003779|2.319255|2.404400|2.113197|1.864405|15.345951|2.654992|3.803334|3.964774|3.690551|4.538608|7.024509|12.242615|17.407328|8.886585|12.504506|5.880596|7.067520|2.601217|4.065990|2.644961|2.558821|2.438865|2.393820|2.453431|2.583274|4.077557|2.247133|3.947057|1.908391|4.043578|2.212347|0.038115|0.037165|0.037203|0.043402|0.044872|0.053483|0.069837|0.047717|0.102283|0.101564|0.114989|0.115880|0.198948|0.187110|0.500000|
|1.558074|1.771678|3.274218|2.092506|2.358733|2.783360|2.811747|2.390007|2.101604|16.734047|2.940956|4.427041|4.200990|3.904331|4.851168|7.262013|12.475985|17.558947|8.909043|10.171885|5.062179|5.737526|2.645182|4.161776|2.565757|2.415969|2.238445|2.187233|2.289322|2.486905|3.802262|2.144688|3.556115|1.749461|3.668563|2.025610|0.042570|0.041706|0.041379|0.049555|0.051641|0.063311|0.086505|0.052904|0.101384|0.113172|0.133662|0.115085|0.167583|0.236196|0.300579|0.500000|
|1.354756|1.506898|2.754400|1.712091|1.880335|2.116129|2.124939|1.890729|1.714996|13.353082|2.205966|3.196155|3.135387|2.709240|3.272732|4.184388|7.679464|8.843424|17.603081|16.909026|5.893342|5.059581|2.087809|3.390388|2.065337|2.030286|1.932347|1.870784|1.892473|1.988458|3.167566|1.752955|3.127442|1.558260|3.288171|1.850454|0.037369|0.036571|0.035932|0.041776|0.044083|0.051150|0.063743|0.044100|0.072692|0.075285|0.090698|0.085993|0.108494|0.115626|0.217306|0.210891|0.500000|
|1.509134|1.693514|3.114801|1.954242|2.155731|2.446625|2.461539|2.173788|1.959627|15.226394|2.526672|3.696258|3.525399|3.017368|3.838991|4.713521|9.537308|8.882269|17.501047|16.551518|7.295676|5.911505|2.314435|3.780470|2.223157|2.179019|2.020431|1.918522|1.943681|2.087826|3.197717|1.767714|3.151104|1.574288|3.418244|1.954386|0.041850|0.040518|0.039734|0.046511|0.050012|0.058233|0.073555|0.050044|0.078062|0.083108|0.112463|0.100230|0.112488|0.127632|0.173993|0.217644|0.300165|0.500000|
|1.317261|1.446774|2.716738|1.686283|1.776675|1.982937|2.103153|1.956683|1.756865|14.681688|2.369183|3.207475|3.500476|2.904572|3.716470|4.168049|7.681482|5.064468|5.893664|16.914616|17.603023|8.846443|2.471573|4.067440|2.494527|2.632323|2.497975|2.274645|2.177188|2.268811|3.490837|1.842046|3.770141|1.857035|4.425165|2.629556|0.036930|0.035059|0.035175|0.039370|0.041880|0.046991|0.056829|0.046106|0.079153|0.074058|0.099947|0.112705|0.111760|0.098026|0.131910|0.110755|0.132302|0.147761|0.500000|
|1.477176|1.640745|3.081118|1.930473|2.058864|2.318795|2.440216|2.233491|1.996886|16.381092|2.671348|3.705569|3.826443|3.175422|4.256721|4.695974|9.529961|5.910329|7.292429|16.553269|17.500980|8.880694|2.609317|4.308355|2.518532|2.573341|2.358711|2.153416|2.115850|2.270871|3.387400|1.821121|3.505398|1.741807|4.067172|2.408877|0.041470|0.039246|0.039103|0.044445|0.048020|0.054399|0.066884|0.051789|0.082694|0.082063|0.122988|0.123748|0.114595|0.112324|0.134676|0.132420|0.147744|0.217767|0.300195|0.500000|
|1.499205|1.672089|3.207179|2.042604|2.155247|2.487987|2.756128|2.529595|2.180880|19.702660|3.376643|4.449419|5.266629|4.582363|6.894341|7.135257|12.425021|5.730264|5.060885|10.183824|8.937382|17.590273|3.644246|5.737507|3.627400|3.780955|3.359185|2.964654|2.878858|3.139191|4.422495|2.317169|4.651627|2.229859|5.631795|3.308237|0.041885|0.039417|0.040175|0.045524|0.048060|0.055633|0.070736|0.056565|0.122074|0.108672|0.171381|0.240458|0.180026|0.143527|0.143179|0.127751|0.110719|0.132470|0.211847|0.218149|0.500000|
|1.363750|1.513534|2.864114|1.806839|1.923222|2.206649|2.385952|2.172535|1.899379|16.608982|2.836707|3.818610|4.439747|4.015347|5.336678|6.986783|12.265135|7.079531|5.878502|12.490797|8.878559|17.405443|3.073901|4.792339|3.228864|3.331061|3.167866|2.940756|2.855798|2.982509|4.521512|2.367848|4.773086|2.252927|5.360307|3.008001|0.037832|0.036148|0.036678|0.041658|0.043374|0.050371|0.063871|0.049331|0.114269|0.099753|0.127177|0.161327|0.212759|0.145756|0.208088|0.143491|0.131809|0.134720|0.217154|0.173909|0.300889|0.500000|
|1.509838|1.653177|3.288569|2.080193|2.059273|2.314193|2.748261|2.793311|2.376423|25.748709|3.959816|4.400244|6.933043|4.498495|4.388345|3.497541|4.226654|2.542651|2.271860|4.202192|2.773881|3.348613|7.233051|12.257598|8.971096|17.787880|8.854697|5.621496|4.943912|5.645651|6.521331|3.139050|7.485725|3.638884|12.504281|7.484089|0.042283|0.038991|0.041601|0.044907|0.045770|0.051678|0.061841|0.064442|0.132446|0.100199|0.107985|0.151921|0.099807|0.084316|0.069366|0.066148|0.056508|0.061717|0.076566|0.075371|0.110879|0.092444|0.500000|
|1.602965|1.787862|3.533647|2.280220|2.331234|2.708800|3.221505|3.086047|2.558175|26.868614|4.720485|5.443271|8.812144|6.134255|4.264610|3.651385|3.934663|2.522930|2.130819|3.687089|2.252673|2.739122|7.011071|9.321660|8.931979|5.638669|4.940498|5.622899|8.874203|17.771600|12.536178|7.500238|7.494414|3.626260|6.518035|3.138016|0.043561|0.041520|0.044772|0.050298|0.048601|0.058444|0.073897|0.067085|0.215356|0.153848|0.101853|0.115765|0.108427|0.098165|0.070646|0.069713|0.054587|0.057303|0.059369|0.060501|0.080913|0.077346|0.124566|0.500000|
|1.419858|1.555821|3.019825|1.893226|1.925426|2.157446|2.435371|2.368516|2.070760|19.375126|3.086243|3.816068|4.955334|3.589097|2.853538|2.653336|3.022364|2.036332|1.762777|3.060713|1.821877|2.131707|3.858585|5.992487|4.591067|3.742132|3.785192|4.750958|7.021415|6.747755|16.427618|17.563070|7.358557|3.867674|5.437875|2.581746|0.038396|0.037125|0.040036|0.044177|0.042004|0.049378|0.059339|0.055257|0.116246|0.097587|0.071029|0.077773|0.079539|0.073126|0.058098|0.056587|0.046232|0.047189|0.048689|0.048717|0.061367|0.061225|0.086981|0.226372|0.500000|
|1.406377|1.554823|2.990775|1.890196|1.967464|2.246658|2.509342|2.352449|2.036504|18.773020|3.170577|4.043848|5.224561|4.193303|3.293537|3.197784|3.530943|2.398113|2.022063|3.479945|2.052612|2.450915|3.817866|5.666727|4.587574|3.739473|3.793068|4.778539|7.050360|6.747622|16.436460|17.561740|7.447411|3.593839|5.447893|2.583818|0.037981|0.036956|0.039277|0.044258|0.042429|0.050749|0.063236|0.053454|0.144463|0.115990|0.079550|0.087751|0.099557|0.088986|0.069689|0.066746|0.053073|0.053375|0.054331|0.054126|0.069268|0.071539|0.086716|0.224496|0.298782|0.500000|
|1.276355|1.391194|2.660456|1.651461|1.696338|1.888897|2.078465|1.995710|1.772142|15.836431|2.527461|3.224329|3.998257|3.062770|2.561077|2.500639|2.893058|1.996264|1.732158|3.018871|1.770319|2.056891|3.039921|4.764854|3.627272|3.186180|3.412661|4.426645|5.891738|4.915649|17.017282|17.652281|7.640242|3.975820|5.120818|2.407714|0.034532|0.033663|0.035838|0.039560|0.037825|0.044136|0.052783|0.047247|0.099745|0.083958|0.063503|0.069945|0.076788|0.069050|0.058147|0.055227|0.045948|0.045808|0.047578|0.046757|0.058149|0.060269|0.075170|0.146447|0.299974|0.300092|0.500000|
|1.148604|1.228023|2.374011|1.450361|1.441674|1.569183|1.755073|1.768526|1.592481|14.786072|2.195666|2.667912|3.494314|2.498798|2.321851|2.165548|2.676221|1.778428|1.618371|2.985096|1.827502|2.077794|3.018673|5.142611|3.855123|4.499587|6.291956|7.208673|5.180874|4.028968|8.420361|3.574967|16.438082|17.580577|12.065221|4.843216|0.031840|0.030139|0.032098|0.033946|0.033642|0.037283|0.042764|0.043770|0.077951|0.062729|0.058237|0.069975|0.065280|0.055733|0.050967|0.047026|0.042206|0.043039|0.051493|0.048330|0.061765|0.061117|0.108567|0.094143|0.095292|0.087381|0.093214|0.500000|
|1.164927|1.249254|2.410106|1.475983|1.475020|1.610960|1.796884|1.796422|1.614038|14.880123|2.238431|2.740524|3.565800|2.573009|2.309865|2.174893|2.636381|1.771326|1.591881|2.888680|1.743763|1.995036|3.012978|5.016557|3.855040|4.043485|5.196691|7.207450|6.264929|4.480900|11.996383|4.805057|16.438249|17.578347|8.443877|3.590902|0.032070|0.030600|0.032672|0.034802|0.034079|0.038190|0.044077|0.044130|0.081559|0.065819|0.057722|0.067723|0.066001|0.056990|0.051036|0.047422|0.041764|0.042273|0.048436|0.046104|0.058401|0.058694|0.094635|0.107906|0.126155|0.109106|0.128341|0.298532|0.500000|
|1.075739|1.150113|2.202370|1.342248|1.347590|1.467208|1.617982|1.606973|1.453980|13.094144|1.976554|2.456327|3.118340|2.307530|2.151267|2.074984|2.570777|1.744263|1.585070|2.917113|1.754213|1.985205|2.577931|4.302750|3.218352|3.539691|4.681456|5.912934|4.675251|3.534908|8.646633|3.675444|16.900016|17.633963|8.657020|3.682297|0.029699|0.028386|0.030033|0.031970|0.031569|0.035127|0.040409|0.039708|0.072581|0.059040|0.053806|0.063646|0.063484|0.053940|0.050752|0.046188|0.041772|0.041774|0.049405|0.045933|0.057707|0.059310|0.085892|0.085748|0.093484|0.089421|0.101224|0.299668|0.299665|0.500000|
|1.300409|1.406660|2.739718|1.697981|1.696037|1.873434|2.128180|2.129027|1.879518|18.111746|2.754341|3.299509|4.466159|3.233399|3.426710|3.051440|3.962773|2.451313|2.267561|4.393803|2.926156|3.396693|3.886576|6.641879|4.604627|6.762004|7.050188|4.772136|3.791340|3.745772|5.441111|2.582767|7.420386|3.597490|16.436167|17.564853|0.036545|0.033967|0.035672|0.038206|0.039285|0.043475|0.050976|0.051142|0.095968|0.076036|0.085415|0.116927|0.089434|0.072965|0.068229|0.062007|0.056756|0.060564|0.085510|0.077334|0.111413|0.097907|0.223896|0.086863|0.069173|0.071125|0.064607|0.109625|0.087561|0.089350|0.500000|
|1.307301|1.403187|2.752863|1.694195|1.663373|1.814569|2.074409|2.131810|1.898813|18.555408|2.685972|3.159672|4.274544|2.920754|2.927990|2.561686|3.272478|2.065110|1.915284|3.623080|2.347953|2.664577|3.907324|7.134546|4.590463|6.750449|7.029705|4.762374|3.790562|3.740269|5.448745|2.583987|7.374532|3.896742|16.425284|17.567396|0.036805|0.034007|0.036136|0.038046|0.038830|0.042475|0.048716|0.052503|0.085946|0.069864|0.074805|0.095548|0.073959|0.063285|0.057178|0.053515|0.048543|0.051836|0.067347|0.063447|0.084982|0.075354|0.226269|0.086817|0.071100|0.069189|0.064664|0.127672|0.096104|0.093991|0.298835|0.500000|
|1.182652|1.265565|2.450199|1.498383|1.487772|1.619315|1.813973|1.830908|1.647768|15.335579|2.267233|2.752859|3.572127|2.569468|2.632861|2.421247|3.161165|2.035119|1.908894|3.680205|2.363520|2.639681|3.072456|5.383991|3.630761|4.918122|5.893093|4.426763|3.412327|3.186419|5.120323|2.407489|7.630719|3.987718|17.014894|17.651909|0.033232|0.031000|0.032609|0.034447|0.035185|0.038422|0.044050|0.045292|0.076585|0.062513|0.066838|0.084887|0.071299|0.059733|0.057291|0.052129|0.048762|0.050967|0.069462|0.062564|0.082349|0.076924|0.146228|0.075147|0.064577|0.064658|0.061589|0.129234|0.093548|0.101369|0.300051|0.299888|0.500000|
2011.664997
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4965.422999
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4019.220942
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