Version2.0
2019-11-24T09:03:14Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
30-Sep-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cn1c(c(c(=O)n(c1=O)C)c2c3c([nH]c2c4ccc(cc4)C5CCCCC5)n(c(=O)n(c3=O)C)C)N C09483375
RHF
6-31G(d)
(6D,7F)
Cn1c(c(c(=O)n(c1=O)C)c2c3c([nH]c2c4ccc(cc4)C5CCCCC5)n(c(=O)n(c3=O)C)C)N
C01[X(C26H30N6O4)]
192
C1
600
O=c1c2c(c([nH]c2n(c(=O)n1C)C)c1ccc(cc1)C1CCCCC1)c1c(N)n(C)c(=O)n(c1=O)C
O=c1c2c(c([nH]c2n(c(=O)n1C)C)c1ccc(cc1)C1CCCCC1)c1c(N)n(C)c(=O)n(c1=O)C
CN1C(=C(C(=O)N(C)C1=O)c2c([nH]c3N(C)C(=O)N(C)C(=O)c23)c4ccc(cc4)C5CCCCC5)N
InChIKey=ONGNUATWMABOPH-UHFFFAOYSA-N
InChI=1S/C26H30N6O4/c1-29-21(27)18(23(33)31(3)25(29)35)17-19-22(30(2)26(36)32(4)24(19)34)28-20(17)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h10-14,28H,5-9,27H2,1-4H3
InChI=1/C26H30N6O4/c1-29-21(27)18(23(33)31(3)25(29)35)17-19-22(30(2)26(36)32(4)24(19)34)28-20(17)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h10-14,28H,5-9,27H2,1-4H3
Cn1c(c(c(=O)n(c1=O)C)c2c3c([nH]c2c4ccc(cc4)C5CCCCC5)n(c(=O)n(c3=O)C)C)N
C01[X(C26H30N6O4)]
192
C01
600
O=c1c2c(c([nH]c2n(c(=O)n1C)C)c1ccc(cc1)C1CCCCC1)c1c(N)n(C)c(=O)n(c1=O)C
O=C1N(C)[C@H]2NC(=C([C@@H]2C(=O)N1C)[C@@H]1[C@@H](N)N(C)C(=O)N(C1=O)C)c1ccc(cc1)C1CCCCC1
CN1[C@H](N)[C@H](C(=O)N(C)C1=O)C2=C(N[C@H]3[C@H]2C(=O)N(C)C(=O)N3C)c4ccc(cc4)C5CCCCC5
InChIKey=BJZRBZHDSQWXRL-XMGTWHOFSA-N
InChI=1S/C26H34N6O4/c1-29-21(27)18(23(33)31(3)25(29)35)17-19-22(30(2)26(36)32(4)24(19)34)28-20(17)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h10-14,18-19,21-22,28H,5-9,27H2,1-4H3/t18-,19+,21+,22-/m1/s1
InChI=1/C26H34N6O4/c1-29-21(27)18(23(33)31(3)25(29)35)17-19-22(30(2)26(36)32(4)24(19)34)28-20(17)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h10-14,18-19,21-22,28H,5-9,27H2,1-4H3/t18-,19+,21+,22-/m1/s1
3923.2699567771
-1628.3132903
1-A
21616.6806
130
470
600
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10.74215
2.5588 -4.2734 3.7947
6.2617
|XX|YY|ZZ|XY|XZ|YZ|
-216.4366 -211.7567 -206.6299 -7.6707 -8.4295 11.4186
|XX|YY|ZZ|XY|XZ|YZ|
-4.8289 -0.1489 4.9778 -7.6707 -8.4295 11.4186
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
94.5161 -141.8451 13.4667 11.5954 87.8342 14.3548 -37.5738 34.3965 15.4653 -10.6625
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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16.5034 20.8503 25.8485 34.4035 41.5547 46.4617 54.7473 73.1254 84.8296 87.5365 91.5820 95.7996 99.9854 121.5007 131.7114 137.1916 141.2117 147.2087 168.8431 170.9342 177.3588 203.5696 226.3742 236.1617 245.4241 250.4288 288.6996 291.0779 302.1717 322.2000 329.6776 341.4971 354.9615 369.0884 374.9248 383.9074 414.4190 429.2212 434.2220 451.5040 457.8113 460.3348 468.1486 472.7238 496.2865 505.2480 507.3212 521.4153 525.1899 534.6540 543.8459 555.3568 573.8420 628.6961 658.9615 698.5315 703.0888 720.0314 758.4479 763.3191 767.3748 785.0594 814.6477 830.5875 842.3807 843.1731 855.6813 859.6065 862.5316 863.3955 867.8966 884.7635 889.9544 907.3726 937.7786 943.3615 952.7424 973.5877 978.7804 1007.9271 1022.3579 1032.6551 1071.4728 1084.9086 1097.7240 1098.2976 1102.6156 1115.1894 1117.4587 1142.6478 1151.5900 1171.9066 1174.7753 1175.4227 1193.3900 1201.2223 1208.1130 1237.9209 1239.4149 1262.6157 1264.7786 1269.9632 1270.5061 1293.4489 1301.7589 1314.2634 1314.6964 1321.5152 1326.5496 1340.5354 1379.1598 1389.7462 1393.6029 1404.2282 1410.8483 1414.9017 1418.5900 1443.5925 1445.4339 1454.6088 1459.6426 1471.8390 1482.1222 1500.5286 1518.5269 1519.9513 1527.2070 1528.2976 1542.7957 1542.9776 1576.3622 1583.1344 1587.9336 1600.6751 1610.0481 1616.5000 1629.7542 1634.9228 1636.1962 1639.7482 1640.9294 1648.5621 1649.8540 1652.7722 1653.2163 1653.8098 1655.5646 1657.4362 1658.1641 1674.0235 1688.7167 1716.1197 1750.7781 1770.2424 1801.5994 1813.2468 1829.6588 1861.0686 1907.9730 1914.9753 1959.3359 1960.1013 3179.6310 3183.2148 3184.2618 3187.2573 3192.8998 3199.2674 3219.1794 3229.0763 3229.1821 3230.7512 3234.5098 3237.7274 3246.0270 3258.8543 3260.4451 3276.9896 3312.0886 3323.8847 3328.7158 3352.5986 3364.5850 3372.9274 3388.6821 3391.8301 3399.2311 3401.0542 3401.7595 3804.7587 3901.0035 3910.8354
4.1646 4.0907 4.3798 5.1953 4.7975 5.4930 3.7279 4.0939 4.1653 2.3793 2.3741 1.7343 3.7449 2.4506 1.9986 2.2424 2.7638 1.7650 1.5442 3.1594 3.8961 4.6437 2.6165 4.2419 2.2928 2.6514 2.7175 4.0765 4.6458 2.9922 3.8128 2.4931 3.4451 3.9183 2.7019 2.2249 5.1580 3.2243 4.1849 4.7630 2.9247 7.8865 6.5445 3.2130 3.4828 3.0689 3.2738 4.3000 2.0093 4.4375 2.3026 4.4739 5.3491 3.0664 6.1493 6.6843 3.0075 7.5048 4.8863 7.8179 5.3565 6.4457 4.3060 3.9783 7.3506 3.0288 10.1092 5.7806 1.4745 4.5923 5.7045 3.6051 3.4784 5.2094 1.7654 1.9597 1.2602 1.9747 1.6834 1.5075 4.7167 4.4013 5.6099 1.3954 2.4015 2.3457 1.3649 2.0112 2.5464 1.4637 2.2260 1.4026 2.5312 2.5371 1.7846 2.4988 2.4594 2.4457 2.9536 1.2845 1.2701 1.2869 1.2858 2.5830 3.1165 1.1597 1.3646 2.3666 2.7556 2.1352 1.5591 3.1286 5.1572 1.2674 4.4147 1.2386 3.0361 1.6639 2.4168 6.6053 1.2566 2.9947 1.3447 1.3702 4.2970 1.3907 1.4866 1.5555 2.0400 2.8671 1.9206 1.8291 1.3331 1.5284 1.4984 1.5100 1.0877 1.1133 1.8706 1.1069 1.0915 1.0598 1.0525 1.0450 1.0842 1.0625 1.1035 1.1641 1.1102 1.3178 2.5959 5.7074 6.2575 6.8192 4.3260 3.8527 4.9617 1.6035 12.0484 10.7433 11.0980 10.5829 1.0796 1.0687 1.0712 1.0707 1.0644 1.0668 1.0393 1.0518 1.0898 1.0954 1.0959 1.1021 1.1040 1.0367 1.0373 1.1075 1.0972 1.1071 1.1060 1.0887 1.0890 1.0955 1.0953 1.0976 1.1025 1.1019 1.0996 1.0509 1.0967 1.0813
0.0007 0.0010 0.0017 0.0036 0.0049 0.0070 0.0066 0.0129 0.0177 0.0107 0.0117 0.0094 0.0221 0.0213 0.0204 0.0249 0.0325 0.0225 0.0259 0.0544 0.0722 0.1134 0.0790 0.1394 0.0814 0.0980 0.1334 0.2035 0.2499 0.1830 0.2442 0.1713 0.2557 0.3145 0.2238 0.1932 0.5219 0.3500 0.4649 0.5721 0.3612 0.9847 0.8451 0.4230 0.5054 0.4616 0.4964 0.6888 0.3265 0.7474 0.4013 0.8130 1.0378 0.7141 1.5732 1.9217 0.8759 2.2924 1.6561 2.6838 1.8584 2.3406 1.6837 1.6170 3.0732 1.2687 4.3610 2.5166 0.6463 2.0170 2.5317 1.6627 1.6232 2.5270 0.9147 1.0275 0.6740 1.1028 0.9502 0.9023 2.9047 2.7653 3.7946 0.9677 1.7050 1.6671 0.9777 1.4737 1.8735 1.1260 1.7393 1.1350 2.0582 2.0652 1.4975 2.1244 2.1149 2.2082 2.6732 1.2065 1.1971 1.2228 1.2228 2.5461 3.1115 1.1803 1.3897 2.4351 2.8571 2.2608 1.7472 3.5602 5.9012 1.4725 5.1774 1.4610 3.5998 2.0430 2.9750 8.2345 1.5774 3.8223 1.7403 1.8177 5.8379 1.8930 2.0429 2.1405 2.8608 4.0217 2.8118 2.7011 1.9806 2.3072 2.2885 2.3248 1.7021 1.7533 2.9506 1.7535 1.7316 1.6969 1.6880 1.6818 1.7459 1.7122 1.7821 1.8842 1.7984 2.1757 4.3616 9.9034 11.3008 12.5907 8.2728 7.4632 9.7864 3.2722 25.8418 23.2120 25.1022 23.9560 6.4307 6.3802 6.3991 6.4084 6.3935 6.4331 6.3458 6.4616 6.6955 6.7365 6.7555 6.8069 6.8535 6.4866 6.4971 7.0072 7.0917 7.2067 7.2201 7.2096 7.2635 7.3429 7.4101 7.4398 7.5057 7.5096 7.4971 8.9636 9.8329 9.7439
0.2223 0.1349 0.9075 0.3634 1.7069 1.2975 0.2060 0.0295 1.8402 1.8585 4.2095 5.0285 1.0152 2.5558 3.9185 1.6031 5.0035 3.1577 1.4896 1.0095 0.4537 0.7650 1.0482 2.1241 0.0764 0.1773 26.4517 1.2331 1.8927 23.6823 0.5523 29.0889 16.2417 1.9566 2.4798 2.9611 13.8988 1.6508 10.2700 17.9012 0.9829 38.8827 45.3473 2.5062 2.0554 19.1328 11.2785 27.4427 53.4176 12.2555 2.7154 18.6015 21.6225 11.3449 9.8865 1.7548 98.4207 11.7405 13.8908 13.9061 10.3069 5.7172 2.2556 4.9101 22.8622 3.3827 41.9040 70.4673 0.8501 15.8282 22.8161 222.2530 4.6188 13.4982 35.7799 0.4674 0.7877 0.3021 4.5699 2.1784 7.1807 5.8434 33.0323 0.6459 55.1718 9.2298 1.1047 6.3304 2.2021 0.0791 22.8072 0.0516 18.5993 7.8824 0.0033 4.3112 3.4260 0.8253 45.5541 6.0713 2.2789 2.4063 2.5020 1.8397 14.5031 2.2738 0.2310 40.5625 0.6038 7.6968 4.6593 16.4094 11.8253 2.7503 4.7932 5.9909 22.7067 3.0009 3.9299 65.2226 0.0962 89.8429 5.2380 0.6832 225.5854 0.0481 14.6330 0.0574 14.1178 48.7984 48.2534 15.3309 8.4627 2.4542 44.6183 10.1197 0.1406 10.6747 310.0697 3.0418 6.8637 15.2100 11.9375 12.2980 27.5074 3.0387 23.6114 61.0996 5.7058 216.8648 103.7869 559.4615 86.8733 180.3007 138.1097 248.0471 76.2765 307.3640 342.2306 1585.7716 463.9023 453.5622 6.8706 20.2210 16.0256 44.5938 7.7899 49.0055 42.7886 49.2176 102.6668 94.9671 19.1987 47.8282 111.8307 40.0732 42.9095 31.2828 19.2355 23.5689 21.8100 21.0587 20.3013 22.3977 10.3446 0.2484 1.2462 0.8978 0.4801 40.4143 46.1595 91.3382
0.6134 2.2794 1.7476 1.5907 1.0907 1.2020 6.9840 0.6968 0.8659 0.3764 1.1947 1.0884 0.1070 0.8438 0.3436 1.2650 0.5894 1.4603 0.8017 1.0383 1.9051 1.5642 0.2896 1.2780 0.1484 0.4039 2.2379 0.5830 0.2701 0.7066 0.2228 1.5955 1.5524 0.1619 0.8177 0.7868 2.0382 0.7532 0.1135 0.8254 3.3625 0.1060 0.7529 0.8350 3.5656 1.4913 2.5906 2.4290 2.8682 1.5576 2.3410 3.1876 9.2735 1.3676 12.9997 9.1921 3.6566 11.5249 2.1846 1.7352 2.0260 1.9860 0.9460 3.1918 5.6982 23.9549 1.7938 1.8561 2.3292 1.1787 1.3261 5.8196 5.4292 1.3589 2.1234 6.3210 6.0150 3.5688 0.9590 0.7303 37.0409 10.6435 8.2018 2.7195 12.0570 12.2960 0.1638 6.8317 4.1076 12.6036 18.2310 0.5786 9.7411 3.2056 2.4903 4.0676 2.0304 3.1321 7.1403 4.0343 2.8492 3.3426 3.6888 11.0019 8.7696 20.2379 3.4804 3.7126 28.6882 8.5104 11.7967 7.3535 11.0787 5.2362 10.0802 22.6826 7.0003 1.7786 2.9805 42.4990 12.8536 29.6127 2.1769 7.4143 2.5955 2.4391 0.7351 3.3738 4.4886 4.9165 58.1963 16.4959 74.0949 42.6499 82.1236 6.4193 29.1188 19.6630 27.7878 1.4313 5.3551 19.1483 14.5984 18.3026 27.3935 14.2805 4.1561 18.4864 3.3537 35.2226 11.1944 29.6343 167.9874 202.5930 147.4383 73.5065 624.2004 72.3885 9.6546 9.2955 17.1580 23.2827 4.8962 22.0293 101.8297 141.7670 27.0986 34.9715 95.6752 90.0335 91.3437 188.7283 211.2743 67.2785 30.3680 101.2498 133.8895 54.1764 56.5891 62.7536 75.0538 54.5962 46.7198 101.2957 68.6537 63.7898 30.4502 25.0938 50.2378 103.4762 47.5227 46.4784
0.7235 0.5868 0.7486 0.7201 0.7469 0.7175 0.6024 0.6440 0.7079 0.6448 0.7244 0.6476 0.4693 0.3891 0.6812 0.3461 0.4317 0.5325 0.4384 0.7498 0.1357 0.5603 0.6207 0.5410 0.5905 0.6817 0.5532 0.6971 0.7271 0.7274 0.6270 0.3536 0.2975 0.5031 0.4687 0.4894 0.7471 0.7114 0.6621 0.5648 0.3269 0.7458 0.7490 0.6671 0.1066 0.7324 0.6502 0.7316 0.7032 0.2721 0.3033 0.1517 0.1079 0.4035 0.0604 0.7283 0.6280 0.1126 0.4479 0.7078 0.5201 0.4813 0.7500 0.6972 0.2866 0.0837 0.3922 0.6579 0.7342 0.6735 0.6537 0.5309 0.3780 0.5432 0.3462 0.1936 0.4123 0.4847 0.6423 0.6635 0.1659 0.4616 0.1467 0.4751 0.3186 0.3964 0.7396 0.7170 0.7101 0.7493 0.2489 0.7467 0.4802 0.6030 0.7478 0.7209 0.6933 0.4665 0.7095 0.7281 0.7480 0.7398 0.7486 0.1140 0.4446 0.1696 0.6862 0.4642 0.1639 0.7396 0.6707 0.7484 0.4373 0.7500 0.2590 0.7103 0.4731 0.4552 0.6328 0.4184 0.7488 0.3269 0.6969 0.7480 0.7498 0.7463 0.6573 0.7498 0.7096 0.3535 0.4873 0.5576 0.4917 0.4210 0.4537 0.6549 0.7493 0.7397 0.5039 0.7410 0.3406 0.6649 0.7484 0.7464 0.6602 0.6644 0.6901 0.6754 0.7355 0.7334 0.6538 0.6189 0.2225 0.2734 0.1141 0.7449 0.3283 0.0810 0.1743 0.5515 0.7357 0.0755 0.0974 0.7449 0.3184 0.2488 0.6792 0.2074 0.0461 0.1523 0.3779 0.3047 0.2343 0.6291 0.1983 0.0592 0.0547 0.7499 0.5698 0.7500 0.7236 0.6448 0.5377 0.1617 0.1369 0.4881 0.7183 0.6895 0.5563 0.1364 0.7497 0.2189
0.8395 0.7396 0.8562 0.8373 0.8551 0.8355 0.7519 0.7835 0.8290 0.7840 0.8402 0.7861 0.6388 0.5603 0.8104 0.5142 0.6031 0.6949 0.6096 0.8570 0.2390 0.7182 0.7660 0.7021 0.7425 0.8107 0.7124 0.8215 0.8420 0.8422 0.7708 0.5225 0.4586 0.6694 0.6383 0.6572 0.8552 0.8314 0.7967 0.7219 0.4928 0.8544 0.8565 0.8003 0.1926 0.8455 0.7880 0.8450 0.8257 0.4278 0.4654 0.2634 0.1948 0.5750 0.1139 0.8428 0.7715 0.2024 0.6187 0.8289 0.6843 0.6499 0.8571 0.8216 0.4455 0.1545 0.5634 0.7937 0.8467 0.8049 0.7906 0.6936 0.5486 0.7040 0.5144 0.3244 0.5838 0.6529 0.7822 0.7977 0.2845 0.6316 0.2559 0.6441 0.4832 0.5677 0.8503 0.8351 0.8305 0.8567 0.3985 0.8550 0.6488 0.7523 0.8557 0.8378 0.8189 0.6362 0.8301 0.8427 0.8558 0.8504 0.8562 0.2046 0.6155 0.2899 0.8139 0.6341 0.2816 0.8503 0.8029 0.8561 0.6085 0.8571 0.4114 0.8306 0.6423 0.6256 0.7751 0.5900 0.8563 0.4928 0.8214 0.8559 0.8570 0.8547 0.7932 0.8570 0.8301 0.5224 0.6553 0.7160 0.6592 0.5925 0.6242 0.7915 0.8567 0.8504 0.6701 0.8513 0.5081 0.7987 0.8561 0.8548 0.7953 0.7984 0.8166 0.8063 0.8476 0.8462 0.7907 0.7646 0.3640 0.4294 0.2049 0.8538 0.4943 0.1499 0.2969 0.7109 0.8477 0.1405 0.1776 0.8538 0.4831 0.3985 0.8089 0.3436 0.0882 0.2644 0.5486 0.4671 0.3796 0.7723 0.3310 0.1117 0.1037 0.8571 0.7259 0.8571 0.8396 0.7841 0.6993 0.2783 0.2408 0.6560 0.8361 0.8162 0.7149 0.2401 0.8570 0.3592
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
6 7 6 6 6 8 7 6 8 6 6 6 6 7 1 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 8 7 6 8 6 6 7 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 14.00307 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
12074.0226 28136.3716 36593.6245
0.99997 -0.00759 -0.00009 0.00759 0.99996 0.00398 0.00006 -0.00398 0.99999
1
0.00717 0.00308 0.00237
0.14947 0.06414 0.04932
23.74 30.00 37.19 49.50 59.79 66.85 78.77 105.21 122.05 125.95 131.77 137.83 143.86 174.81 189.50 197.39 203.17 211.80 242.93 245.94 255.18 292.89 325.70 339.78 353.11 360.31 415.37 418.80 434.76 463.57 474.33 491.34 510.71 531.04 539.43 552.36 596.26 617.55 624.75 649.61 658.69 662.32 673.56 680.14 714.05 726.94 729.92 750.20 755.63 769.25 782.47 799.03 825.63 904.55 948.10 1005.03 1011.59 1035.96 1091.24 1098.25 1104.08 1129.53 1172.10 1195.03 1212.00 1213.14 1231.13 1236.78 1240.99 1242.23 1248.71 1272.98 1280.45 1305.51 1349.25 1357.29 1370.78 1400.78 1408.25 1450.18 1470.94 1485.76 1541.61 1560.94 1579.38 1580.21 1586.42 1604.51 1607.77 1644.02 1656.88 1686.11 1690.24 1691.17 1717.02 1728.29 1738.21 1781.09 1783.24 1816.62 1819.73 1827.19 1827.97 1860.98 1872.94 1890.93 1891.55 1901.37 1908.61 1928.73 1984.30 1999.53 2005.08 2020.37 2029.90 2035.73 2041.03 2077.01 2079.66 2092.86 2100.10 2117.65 2132.44 2158.93 2184.82 2186.87 2197.31 2198.88 2219.74 2220.00 2268.03 2277.78 2284.68 2303.01 2316.50 2325.78 2344.85 2352.29 2354.12 2359.23 2360.93 2371.91 2373.77 2377.97 2378.61 2379.46 2381.99 2384.68 2385.73 2408.55 2429.69 2469.11 2518.98 2546.98 2592.10 2608.86 2632.47 2677.66 2745.15 2755.22 2819.05 2820.15 4574.78 4579.94 4581.44 4585.75 4593.87 4603.03 4631.68 4645.92 4646.07 4648.33 4653.74 4658.37 4670.31 4688.76 4691.05 4714.86 4765.36 4782.33 4789.28 4823.64 4840.89 4852.89 4875.56 4880.09 4890.74 4893.36 4894.37 5474.20 5612.67 5626.82
0.586504
0.618119
0.619063
0.520945
-1627.726786
-1627.695171
-1627.694227
-1627.792346
3.290927D-04
MUNgauss
RevisionA1.9
retrievium
24-Nov-2019
DUDE Cn1c(c(c(=O)n(c1=O)C)c2c3c([nH]c2c4ccc(cc4)C5CCCCC5)n(c(=O)n(c3=O)C)C)N C09483375
RHF
6-31G(d)
(6D,10F)
C1
490.232811
|X|Y|Z|
75.648493 121.189493 34.742907
68.293148
27
|36.858105|
|13.034675|53.358707|
|7.713288|18.862891|36.858105|
|5.120329|10.878797|14.081988|36.858105|
|4.479906|9.288781|7.867564|13.124955|36.858105|
|3.495190|6.498624|5.387468|8.112372|15.878376|73.516695|
|5.191358|11.074315|7.006632|7.901470|13.617977|15.028796|53.358707|
|7.834774|18.734276|7.913144|6.773202|7.771207|9.619914|18.988446|36.858105|
|7.068081|11.500099|5.440687|4.748410|5.382460|7.532384|11.559229|15.882393|73.516695|
|3.947091|7.081270|4.556694|5.057848|7.716962|12.429972|17.729321|7.949552|12.770518|36.858105|
|3.847962|6.912199|7.674581|12.870205|7.578988|11.906361|6.893463|4.441715|6.171556|3.825639|36.858105|
|3.374838|5.642923|5.737532|7.275035|5.272441|8.810928|5.405339|3.637287|5.291010|3.183907|13.137422|36.858105|
|2.762708|4.443325|4.216659|5.157974|4.174736|7.488537|4.417881|2.957487|4.441183|2.736050|8.422592|13.995145|36.858105|
|2.686334|4.356327|4.097952|5.194092|4.329427|8.030846|4.494803|2.948495|4.422533|2.804799|8.544190|8.655358|14.214123|53.358707|
|2.387147|3.783737|3.428360|4.164828|3.643961|6.868466|3.926666|2.595141|3.969356|2.520242|5.995410|6.027952|9.116207|26.096549|0.500000|
|3.170699|5.390485|5.316299|7.517471|5.884399|10.583467|5.679986|3.628314|5.261449|3.386725|14.066410|8.486990|8.542434|18.574894|0.249724|36.858105|
|2.949851|4.924986|4.496099|5.891362|5.318368|9.937152|5.433727|3.443172|5.099380|3.370658|7.362092|5.137596|5.269742|10.453710|0.194531|12.910371|36.858105|
|2.473806|4.028205|3.471558|4.371315|4.363349|8.854328|4.673222|2.929402|4.478871|3.096198|5.167192|4.108704|4.445113|8.550312|0.181159|7.643056|13.713688|36.858105|
|2.266904|3.602684|2.977964|3.549914|3.642311|7.216806|4.165867|2.660222|4.172842|2.860428|3.879102|3.192226|3.375129|5.944341|0.127912|5.058381|7.900629|13.754896|36.858105|
|2.366444|3.709726|3.012126|3.452894|3.495373|6.562426|4.154758|2.723724|4.307992|2.836024|3.590476|2.921733|2.991075|5.065719|0.106024|4.436670|6.759322|7.875317|13.715803|36.858105|
|2.780685|4.391036|3.627523|4.094301|3.953722|7.006166|4.682149|3.133213|4.865326|3.052910|4.156325|3.243319|3.219372|5.414950|0.109007|5.059336|7.900066|6.912861|8.006077|13.672000|36.858105|
|3.191218|5.234141|4.648542|5.526351|4.920124|8.451237|5.431058|3.597475|5.365804|3.339029|5.875978|4.216026|4.103989|7.160764|0.136691|7.636404|13.685721|7.982602|6.914785|7.874582|13.787304|36.858105|
|2.078696|3.169393|2.489590|2.754349|2.827467|5.270847|3.519334|2.354855|3.834410|2.484120|2.798979|2.369929|2.420143|3.927909|0.082735|3.277108|4.391799|5.000039|7.538665|12.538148|7.481556|4.986831|36.858105|
|2.125372|3.222350|2.450872|2.665633|2.815250|5.188051|3.644294|2.450872|4.063040|2.639535|2.593281|2.191244|2.180203|3.434020|0.070530|2.902466|3.714791|4.000387|5.300487|7.494066|6.037394|4.291051|12.374439|36.858105|
|1.845638|2.737744|2.056918|2.197583|2.308763|4.241603|3.042384|2.081608|3.520231|2.239002|2.146900|1.865580|1.865825|2.883766|0.059656|2.363734|2.883174|3.102601|3.912966|4.887026|4.151976|3.218515|7.500158|12.438262|36.858105|
|1.747956|2.551456|1.927969|2.029701|2.076550|3.761580|2.727950|1.901470|3.218227|1.972116|2.007118|1.765368|1.778182|2.739303|0.057127|2.212305|2.663302|2.812306|3.465013|4.329936|3.844201|3.006052|6.406788|7.522359|12.445064|36.858105|
|1.722127|2.525257|1.946688|2.067764|2.081073|3.791504|2.674273|1.855776|3.101552|1.904628|2.097404|1.854174|1.900385|2.969385|0.063015|2.364334|2.881168|3.099237|3.910235|4.885567|4.150625|3.218062|7.499431|6.444622|7.539218|12.444904|36.858105|
|1.942442|2.890067|2.270229|2.442865|2.428877|4.421805|3.055456|2.102959|3.453316|2.133031|2.507366|2.172844|2.236011|3.581616|0.076288|2.903653|3.710637|3.993366|5.294092|7.489673|6.033634|4.290145|12.374439|7.531746|6.445258|7.522604|12.437633|36.858105|
|2.387581|3.703506|3.342941|3.833568|3.274484|5.918157|3.653619|2.492662|3.846046|2.335959|5.306631|7.876519|13.936048|10.749537|0.192213|5.356543|3.916446|3.546943|2.838510|2.530770|2.661946|3.218094|2.116540|1.912840|1.670849|1.606107|1.720178|1.988012|53.358707|
|2.377383|3.624091|3.205727|3.527365|3.037740|5.380523|3.494616|2.430644|3.789093|2.243887|4.510119|6.777718|8.058538|7.134840|0.128841|4.173750|3.187168|2.892553|2.395737|2.182721|2.306133|2.737740|1.863184|1.716650|1.515402|1.457716|1.543550|1.757961|18.782415|36.858105|
|2.094424|3.127052|2.682226|2.889472|2.561795|4.567042|3.025434|2.121347|3.366937|1.983307|3.515246|4.751602|5.494343|5.573147|0.106461|3.345419|2.694475|2.509846|2.130650|1.949658|2.035939|2.358206|1.693470|1.563872|1.397055|1.350477|1.430631|1.611476|11.519695|15.893792|73.516695|
|2.749002|4.217691|3.772045|4.060739|3.410685|5.841176|3.944222|2.781112|4.293132|2.479974|5.005221|8.000412|7.141919|6.483898|0.112127|4.194636|3.166355|2.798086|2.329240|2.156568|2.317406|2.776309|1.840189|1.722309|1.515146|1.450363|1.518093|1.726668|11.008099|13.803954|15.043763|53.358707|
|3.397984|5.451850|5.207025|5.706549|4.432614|7.247653|4.950937|3.484789|5.189504|2.967864|7.163708|13.220298|7.884765|7.295425|0.118784|5.191038|3.724116|3.145863|2.579398|2.408135|2.647249|3.269285|2.021424|1.904259|1.652073|1.570330|1.633586|1.876099|9.106869|7.658794|9.501035|18.446992|36.858105|
|3.967854|6.312023|5.850420|5.780356|4.524887|7.041514|5.337553|3.927008|5.840173|3.145525|6.049281|8.090219|5.378636|5.693609|0.096177|4.346511|3.323363|2.814272|2.369756|2.258337|2.503782|3.045062|1.920151|1.841672|1.604270|1.522524|1.565605|1.783799|6.410869|5.358393|7.498428|11.437551|15.859542|73.516695|
|2.561665|3.792798|3.220098|3.307378|2.887056|4.919453|3.500241|2.526200|4.002293|2.249515|3.736476|5.093895|4.611715|4.745834|0.085771|3.198129|2.563594|2.311004|1.981657|1.858746|1.986306|2.317409|1.618791|1.533599|1.366283|1.311596|1.363239|1.529309|7.073250|7.941715|12.823726|17.703902|7.720081|12.403565|36.858105|
|2.051776|3.131039|2.740340|3.102036|2.756178|5.083105|3.141317|2.142877|3.362764|2.060737|4.062892|5.096853|7.751395|8.904194|0.193934|4.449905|3.574030|3.429208|2.804630|2.468763|2.526603|2.954094|2.092764|1.863355|1.644434|1.592629|1.727756|1.987480|17.838798|7.759577|12.348427|7.011419|4.429600|6.159980|3.925173|36.858105|
|7.021303|11.178710|13.875380|7.955899|5.138885|7.153961|6.343958|5.270813|7.404120|3.434036|6.576418|5.622244|4.245079|5.467173|0.094442|4.880859|4.076063|3.160323|2.735829|2.789134|3.372854|4.287014|2.332171|2.260097|1.924353|1.843069|1.881643|2.191717|4.690904|3.343516|4.982591|5.363520|5.328552|10.569794|3.378936|2.816255|53.358707|
|17.638760|12.403917|7.069549|4.779614|4.032944|5.732703|5.995862|5.946266|9.541316|3.434824|3.766511|3.285847|2.741853|3.675878|0.067160|3.186715|3.007628|2.495224|2.303301|2.443155|2.926572|3.354754|2.147373|2.183916|1.895138|1.816500|1.795903|2.035671|3.225488|2.334088|3.663808|3.614029|3.239176|6.512883|2.454511|2.053899|10.247372|0.500000|
|17.736867|12.571331|5.733087|4.293154|4.071779|5.798294|6.821794|7.783570|15.306791|4.054030|3.295120|2.903069|2.436521|3.260523|0.059914|2.803255|2.678853|2.300025|2.145736|2.254121|2.613857|2.907593|2.014752|2.097994|1.837565|1.731980|1.684758|1.878444|2.901654|2.121019|3.362961|3.290768|2.911793|5.936681|2.280584|1.860608|6.910900|0.300065|0.500000|
|17.566435|12.299696|6.627241|4.600924|3.994666|5.693286|6.083110|6.197435|10.277035|3.519792|3.634207|3.359534|2.733648|3.522306|0.063844|2.966988|2.693879|2.285755|2.081531|2.140979|2.471188|2.834986|1.889682|1.913846|1.679954|1.599026|1.585115|1.776890|3.273378|2.451485|3.856222|3.934777|3.555465|7.692392|2.761349|2.051123|9.007632|0.298987|0.301870|0.500000|
|3.800125|6.499628|4.102071|4.369158|6.035221|9.865961|12.377670|7.080123|12.719653|17.626626|3.414236|2.975644|2.554278|3.479698|0.064009|2.990678|2.903113|2.690456|2.485954|2.449638|2.613992|2.850789|2.178801|2.300096|1.994799|1.777094|1.719231|1.903058|3.027703|2.179320|3.453037|3.310898|2.878751|5.533152|2.253786|1.959766|4.336270|0.090047|0.110140|0.097428|0.500000|
|3.842846|6.537214|4.091996|4.338657|5.962722|9.674989|12.397766|7.154641|12.982794|17.636829|3.363998|2.805901|2.458204|3.473512|0.064637|3.067897|3.161233|2.926663|2.793951|2.850629|3.076302|3.251301|2.551159|2.794376|2.377090|2.076003|1.970420|2.188811|2.881999|2.027332|3.214297|3.015013|2.611549|4.898745|2.023313|1.894701|4.338205|0.094602|0.113822|0.093160|0.301418|0.500000|
|3.348925|5.890532|4.102365|4.855303|7.675697|15.174790|12.576407|5.807981|9.149667|17.732744|3.891315|3.236238|2.840095|4.023931|0.074162|3.557428|3.590006|3.408113|3.133099|3.021474|3.157391|3.432795|2.627805|2.769955|2.334100|2.030664|1.972296|2.214470|3.293006|2.294488|3.604486|3.397661|2.951850|5.400824|2.239903|2.151213|4.315272|0.083399|0.093350|0.084479|0.299332|0.299091|0.500000|
|2.306750|3.741027|3.209727|4.056625|4.116023|8.695517|4.399535|2.741149|4.218866|2.967241|4.938262|4.189587|4.736197|9.100540|0.200299|7.046706|8.907540|17.707629|8.941783|5.628179|4.972650|5.659210|4.090791|3.390350|2.747282|2.497458|2.738665|3.374311|5.238651|3.087481|4.771080|3.981474|3.218124|5.029483|2.401292|3.798084|3.986810|0.063874|0.059671|0.060116|0.072880|0.076633|0.092109|0.500000|
|2.027212|3.180704|2.583818|3.034649|3.167528|6.363246|3.705987|2.374758|3.785815|2.618471|3.294551|2.823743|3.017327|5.149471|0.112869|4.125143|5.640468|8.957596|17.703802|8.919557|5.669353|4.972757|7.007302|5.006293|3.926643|3.440394|3.919070|4.990969|3.565157|2.230857|3.578685|2.926116|2.335867|3.822689|1.850603|2.644913|3.247713|0.056867|0.053766|0.052184|0.064102|0.071202|0.080379|0.217253|0.500000|
|2.810582|4.310181|3.450609|3.692125|3.548727|6.102571|4.408601|3.057853|4.839888|2.892685|3.610297|2.889463|2.826267|4.564484|0.091503|4.129617|5.644907|4.972800|5.666966|8.886328|17.715762|8.988690|6.912413|6.262608|4.383850|4.200410|4.386435|6.270490|3.245338|2.106685|3.336384|2.905192|2.428963|4.156292|1.858263|2.262184|4.445710|0.083672|0.074159|0.068721|0.069332|0.082831|0.081206|0.107859|0.124192|0.500000|
|3.720655|6.087755|5.594523|6.180222|5.017700|7.985879|5.680048|3.951845|5.811323|3.354952|6.213407|4.405278|4.088262|6.702632|0.123715|7.058393|8.915932|5.665350|4.974827|5.624597|8.945246|17.730636|4.074900|3.704990|2.888185|2.748613|2.890481|3.709942|4.362048|2.782773|4.241371|3.926787|3.468621|5.854867|2.416162|2.872645|7.270153|0.111980|0.091887|0.090302|0.080235|0.090924|0.092561|0.124247|0.107878|0.217725|0.500000|
|1.905865|2.904862|2.279854|2.541999|2.640167|5.029275|3.277106|2.174704|3.558075|2.351301|2.615882|2.257002|2.334761|3.779903|0.080705|3.067158|3.998833|4.843629|7.473433|9.020834|5.601392|4.204465|17.502804|8.943334|6.934563|5.770878|6.934016|8.943613|2.814117|1.818452|2.957222|2.423987|1.934301|3.250435|1.570686|2.071727|2.904209|0.054180|0.051405|0.048612|0.057797|0.066530|0.070038|0.115469|0.231627|0.139796|0.096503|0.500000|
|2.178126|3.352712|2.532060|2.798043|3.058313|5.754747|3.973649|2.609804|4.325010|2.949002|2.686690|2.255894|2.227733|3.497078|0.071144|2.982476|3.798275|4.165667|5.437943|6.923483|5.576568|4.224880|8.815677|17.542238|8.808303|5.484255|4.834661|5.490711|2.649046|1.750754|2.828147|2.402113|1.959990|3.377488|1.570847|1.883426|3.111842|0.061271|0.060010|0.054433|0.070516|0.087222|0.087598|0.099319|0.145087|0.150751|0.100743|0.215186|0.500000|
|2.319391|3.494920|2.633831|2.811423|2.934363|5.252987|3.856541|2.641092|4.383885|2.749269|2.679458|2.240661|2.197088|3.433842|0.069616|2.950432|3.747929|3.799302|4.726461|6.832524|6.598260|4.591627|8.812703|17.510143|8.857666|6.777866|5.661746|6.784047|2.608561|1.729012|2.790666|2.382748|1.952766|3.385942|1.560812|1.846297|3.310378|0.066904|0.063783|0.057315|0.066214|0.081937|0.078413|0.088626|0.118061|0.216037|0.113683|0.174418|0.303716|0.500000|
|1.721448|2.561653|1.932198|2.082955|2.203079|4.112175|2.884101|1.955485|3.307078|2.144218|2.056865|1.805538|1.821252|2.814551|0.058653|2.274487|2.752015|3.049321|3.875408|4.531651|3.703125|2.963328|6.764312|8.850050|17.494771|8.853984|6.784246|5.657504|2.235414|1.488088|2.448655|2.013362|1.601191|2.752028|1.335314|1.629405|2.457884|0.048749|0.047536|0.043873|0.053398|0.062635|0.062854|0.076548|0.113567|0.103921|0.073326|0.205044|0.214641|0.173825|0.500000|
|1.840175|2.710649|2.002880|2.117593|2.245658|4.094850|3.022105|2.083028|3.571095|2.256019|2.034669|1.772627|1.754072|2.674838|0.054802|2.197730|2.625280|2.769475|3.354595|4.060371|3.649333|2.928742|5.476092|8.829918|17.533752|8.812508|5.490931|4.835466|2.143349|1.441691|2.366671|1.976180|1.585892|2.761926|1.318237|1.539601|2.538608|0.052298|0.051451|0.046425|0.056004|0.067566|0.064816|0.068916|0.092703|0.108567|0.074614|0.141465|0.212093|0.215250|0.303548|0.500000|
|1.599950|2.317038|1.740522|1.822994|1.868536|3.388399|2.472064|1.730943|2.954656|1.802395|1.803309|1.606109|1.619583|2.469025|0.051540|1.969667|2.321051|2.453158|2.951853|3.509851|3.154916|2.567455|4.815089|5.484160|8.813440|17.532476|8.814869|5.484579|2.010958|1.349544|2.236570|1.825720|1.442489|2.492085|1.221436|1.470860|2.272407|0.046032|0.044222|0.040914|0.045553|0.052690|0.051496|0.061702|0.082886|0.094226|0.066010|0.128966|0.123102|0.139249|0.214871|0.211550|0.500000|
|1.835407|2.654592|1.993640|2.069927|2.099213|3.743304|2.782727|1.966030|3.338431|1.994752|2.026181|1.775627|1.772998|2.715629|0.056184|2.210819|2.644500|2.708611|3.248504|4.128558|3.918233|3.064430|5.627276|6.773889|8.854183|17.493313|8.854512|6.774135|2.173677|1.455475|2.392958|1.982863|1.584710|2.747242|1.319834|1.571939|2.608013|0.053437|0.050641|0.046387|0.049913|0.058710|0.056346|0.066384|0.086932|0.125219|0.079506|0.132802|0.139215|0.199434|0.173787|0.214817|0.303387|0.500000|
|1.615418|2.377368|1.835808|1.966439|1.994235|3.681054|2.551835|1.756781|2.938239|1.833640|2.011191|1.794728|1.855015|2.898140|0.062008|2.275113|2.750282|3.046102|3.872850|4.530726|3.702284|2.963062|6.764478|5.657535|6.784900|8.854286|17.494460|8.850519|2.302400|1.516088|2.508755|2.017315|1.583558|2.687228|1.332353|1.714681|2.407400|0.046435|0.043900|0.041563|0.046175|0.052381|0.053219|0.076298|0.113325|0.103972|0.073379|0.205053|0.126648|0.131106|0.199618|0.139314|0.214898|0.173792|0.500000|
|1.645112|2.384405|1.837742|1.929465|1.917674|3.462471|2.472712|1.736053|2.911549|1.751327|1.964270|1.756050|1.803577|2.793463|0.059403|2.198517|2.622657|2.765368|3.351611|4.058820|3.647642|2.928084|5.475365|4.834845|5.490601|8.811486|17.531519|8.828260|2.241142|1.483525|2.456250|1.982175|1.558329|2.657957|1.313586|1.660467|2.450306|0.047928|0.044653|0.042249|0.044254|0.050210|0.049996|0.068616|0.092482|0.108649|0.074699|0.141452|0.106532|0.126746|0.139300|0.123160|0.211581|0.214802|0.303514|0.500000|
|2.077760|3.065556|2.404078|2.542937|2.488002|4.432343|3.153203|2.204039|3.617278|2.170812|2.580673|2.220023|2.257021|3.588831|0.075430|2.951637|3.743284|3.792819|4.721413|6.828292|6.592436|4.590184|8.811482|6.783185|5.661729|6.777876|8.857971|17.509413|2.716654|1.773306|2.880521|2.389236|1.920985|3.267329|1.556052|1.973134|3.189948|0.061269|0.055716|0.052431|0.053732|0.062199|0.061713|0.088233|0.117782|0.216450|0.113871|0.174408|0.139385|0.199689|0.131098|0.126753|0.139257|0.199438|0.173834|0.215239|0.500000|
|1.873354|2.787036|2.220686|2.401967|2.353672|4.304985|2.918981|2.007626|3.279300|2.022480|2.530472|2.221915|2.331674|3.775124|0.082188|2.984223|3.790014|4.151458|5.424952|6.915084|5.569777|4.222427|8.812633|5.489677|4.834702|5.484434|8.809684|17.535030|2.840445|1.827136|2.984643|2.412785|1.908596|3.192415|1.562935|2.118648|2.953203|0.054550|0.049912|0.048016|0.050458|0.056892|0.058495|0.098424|0.144246|0.150949|0.100943|0.215157|0.123244|0.139371|0.126644|0.106536|0.123118|0.139216|0.214699|0.212122|0.303634|0.500000|
|2.297136|3.407770|2.835718|2.966177|2.683483|4.679444|3.270252|2.328652|3.728379|2.148977|3.326958|4.372962|4.150511|4.388366|0.080799|2.929122|2.391635|2.205171|1.900863|1.768905|1.863910|2.146982|1.550998|1.470431|1.316773|1.261041|1.310257|1.461380|6.554022|7.200532|13.172949|12.396801|5.947978|9.584401|17.648242|3.825424|3.943321|0.060919|0.057739|0.068156|0.060189|0.053656|0.060050|0.064488|0.049839|0.048339|0.061282|0.042124|0.041982|0.041305|0.035943|0.035309|0.032732|0.035093|0.035763|0.035033|0.041033|0.041519|0.500000|
|2.418752|3.496389|2.946806|2.962042|2.572147|4.367344|3.155325|2.308403|3.692810|2.036386|3.335533|4.387485|4.136969|4.373971|0.080658|2.929646|2.390483|2.157349|1.869970|1.768094|1.892817|2.192118|1.550048|1.465112|1.312300|1.269607|1.323267|1.480451|6.494752|7.050057|12.693041|12.353674|6.050297|9.942266|17.623564|3.779744|4.343440|0.065395|0.059885|0.072583|0.056472|0.051558|0.056106|0.061797|0.048574|0.049541|0.063818|0.041723|0.041399|0.041495|0.035582|0.035150|0.032907|0.035565|0.035880|0.035618|0.041968|0.042166|0.301491|0.500000|
|2.825871|4.159124|3.476571|3.473128|3.035446|5.064027|3.752311|2.754056|4.370528|2.393844|3.736538|4.882282|4.136900|4.406347|0.079065|3.101899|2.510280|2.245031|1.937921|1.835273|1.975457|2.302879|1.602104|1.533669|1.365418|1.306753|1.347925|1.508993|5.869751|5.793755|9.172154|12.557118|7.691301|15.135408|17.729926|3.331350|4.930845|0.073954|0.069552|0.086497|0.067412|0.059515|0.065298|0.064113|0.050116|0.051665|0.067354|0.043000|0.043763|0.043584|0.036949|0.036781|0.033802|0.036653|0.036478|0.036036|0.042816|0.042522|0.299256|0.299502|0.500000|
|2.035224|3.078544|2.699130|3.013284|2.644943|4.821530|3.033652|2.088658|3.283253|1.983205|3.929706|4.677173|6.862239|8.871126|0.209033|4.458928|3.686862|3.507183|2.898551|2.577398|2.652053|3.094716|2.181685|1.918487|1.693010|1.656755|1.816390|2.104192|12.387058|6.005582|9.699350|5.997092|3.984764|5.691526|3.454638|17.568811|3.846967|0.057357|0.051207|0.056168|0.052056|0.051187|0.057195|0.105056|0.075388|0.066067|0.083717|0.059687|0.053264|0.052921|0.046439|0.043797|0.042400|0.045508|0.049911|0.048769|0.058239|0.063034|0.091450|0.094983|0.083379|0.500000|
|1.903853|2.862734|2.459789|2.721307|2.447803|4.487178|2.851176|1.965389|3.119489|1.889931|3.411731|4.253761|5.734487|6.554289|0.139183|3.593625|2.978299|2.879484|2.427482|2.167875|2.212933|2.538772|1.874182|1.686503|1.505871|1.463458|1.580119|1.792984|12.585076|7.661249|14.934537|6.717191|4.004352|5.721363|4.007828|17.718866|3.460761|0.052811|0.048198|0.053372|0.050472|0.048405|0.054537|0.087685|0.064368|0.055829|0.069233|0.051697|0.047333|0.046448|0.041529|0.039360|0.037795|0.040155|0.043653|0.042398|0.049476|0.052906|0.111719|0.109949|0.092356|0.300592|0.500000|
|1.975498|3.042099|2.634833|3.044866|2.791895|5.298683|3.162666|2.121084|3.333980|2.103816|3.947426|4.691944|6.892664|8.930562|0.206389|4.476544|3.702696|3.726379|3.018796|2.584027|2.581744|2.982857|2.186869|1.935435|1.706024|1.639878|1.783273|2.050673|12.387128|6.036456|9.751410|6.018801|3.983848|5.667904|3.465338|17.572604|3.586198|0.054629|0.050201|0.054432|0.055373|0.053641|0.061886|0.119944|0.080321|0.063491|0.078588|0.060898|0.054699|0.052695|0.047321|0.044217|0.042071|0.044605|0.049571|0.047282|0.055854|0.060844|0.096152|0.090688|0.083818|0.298809|0.300505|0.500000|
|7.671427|10.222843|9.485983|6.015836|4.348922|6.212038|5.669509|4.902718|7.227700|3.175257|5.135950|4.832946|3.735649|4.683199|0.082474|3.963737|3.368537|2.721281|2.394452|2.436074|2.876598|3.503699|2.083568|2.035732|1.761431|1.694107|1.721499|1.974736|4.324727|3.202001|4.856493|5.244646|5.056876|10.791220|3.462366|2.611537|25.985220|0.223344|0.148841|0.230632|0.084236|0.082182|0.080645|0.071182|0.058984|0.078323|0.116585|0.053370|0.057199|0.060653|0.046063|0.047722|0.042977|0.048953|0.045091|0.046007|0.058481|0.054311|0.081645|0.091862|0.106011|0.072355|0.066783|0.067504|0.500000|
|5.143850|8.144300|9.617558|7.604110|4.828658|7.049877|5.619249|4.353164|6.248937|3.139834|7.784384|7.068028|5.202528|6.504705|0.109726|5.668871|4.421288|3.371421|2.850475|2.853519|3.424104|4.464623|2.357942|2.236399|1.904135|1.832920|1.897990|2.226478|5.585578|3.914730|5.684954|6.266093|6.376834|11.621570|3.760747|3.260184|26.019035|0.151356|0.111579|0.139709|0.080974|0.080411|0.082909|0.087473|0.068876|0.090193|0.152383|0.060254|0.062573|0.066105|0.049923|0.050794|0.046105|0.052593|0.049773|0.050537|0.065756|0.062090|0.088026|0.099105|0.108950|0.091500|0.080654|0.083108|0.323208|0.500000|
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