Version2.0
2019-11-28T03:55:43Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
04-Nov-2019
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCCOc1cccc(c1)[C@H]2c3ccc(cc3OC(=C2C#N)N)OC(=O)COc4cccc(c4C)C C38684468
RHF
6-31G(d)
(6D,7F)
CCCOc1cccc(c1)[C@H]2c3ccc(cc3OC(=C2C#N)N)OC(=O)COc4cccc(c4C)C
C01[X(C29H28N2O5)]
186
C1
596
CCCOc1cccc(c1)[C@@H]1C(=C(N)Oc2c1ccc(c2)OC(=O)COc1cccc(c1C)C)C#N
CCCOc1cccc(c1)[C@@H]1C(=C(N)Oc2c1ccc(c2)OC(=O)COc1cccc(c1C)C)C#N
CCCOc1cccc(c1)[C@H]2c3ccc(OC(=O)COc4cccc(C)c4C)cc3OC(=C2C#N)N
InChIKey=ONJPRSFDUDSLJX-NDEPHWFRSA-N
InChI=1S/C29H28N2O5/c1-4-13-33-21-9-6-8-20(14-21)28-23-12-11-22(15-26(23)36-29(31)24(28)16-30)35-27(32)17-34-25-10-5-7-18(2)19(25)3/h5-12,14-15,28H,4,13,17,31H2,1-3H3/t28-/m0/s1
InChI=1/C29H28N2O5/c1-4-13-33-21-9-6-8-20(14-21)28-23-12-11-22(15-26(23)36-29(31)24(28)16-30)35-27(32)17-34-25-10-5-7-18(2)19(25)3/h5-12,14-15,28H,4,13,17,31H2,1-3H3/t28-/m0/s1
CCCOc1cccc(c1)[C@H]2c3ccc(cc3OC(=C2C#N)N)OC(=O)COc4cccc(c4C)C
C01[X(C29H28N2O5)]
186
C01
596
CCCOc1cccc(c1)[C@@H]1C(=C(N)Oc2c1ccc(c2)OC(=O)COc1cccc(c1C)C)C#N
CCCOc1cccc(c1)[C@@H]1C(=C(N)Oc2c1ccc(c2)OC(=O)COc1cccc(c1C)C)C#N
CCCOc1cccc(c1)[C@H]2c3ccc(OC(=O)COc4cccc(C)c4C)cc3OC(=C2C#N)N
InChIKey=ONJPRSFDUDSLJX-NDEPHWFRSA-N
InChI=1S/C29H28N2O5/c1-4-13-33-21-9-6-8-20(14-21)28-23-12-11-22(15-26(23)36-29(31)24(28)16-30)35-27(32)17-34-25-10-5-7-18(2)19(25)3/h5-12,14-15,28H,4,13,17,31H2,1-3H3/t28-/m0/s1
InChI=1/C29H28N2O5/c1-4-13-33-21-9-6-8-20(14-21)28-23-12-11-22(15-26(23)36-29(31)24(28)16-30)35-27(32)17-34-25-10-5-7-18(2)19(25)3/h5-12,14-15,28H,4,13,17,31H2,1-3H3/t28-/m0/s1
3422.1126527471
-1597.6943557
1-A
36341.7065
128
468
596
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11.37372
-2.6163 -3.8041 2.5290
5.2642
|XX|YY|ZZ|XY|XZ|YZ|
-208.1912 -199.4102 -210.1123 -23.2501 4.6776 4.1889
|XX|YY|ZZ|XY|XZ|YZ|
-2.2866 6.4944 -4.2077 -23.2501 4.6776 4.1889
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-174.1726 40.9607 5.7372 -67.8550 -279.1098 66.6756 10.3436 -16.2137 33.4153 37.6546
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-40098.5045 -4880.8687 -1103.5221 -1600.2781 491.5062 -364.9612 124.1117 70.5026 11.2945 -8352.6923 -7437.0192 -1146.9412 -51.5756 10.4265 -93.9903
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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|
6.0053 9.3889 12.7251 20.3565 26.9703 36.5752 39.9181 46.4387 52.9478 66.9198 79.2547 87.1028 96.7370 105.1284 120.6503 129.1337 140.0963 148.7931 149.5248 170.8643 176.3602 194.9550 200.5003 239.3796 248.1604 257.3632 261.9344 272.2970 273.7942 301.7454 313.3205 314.6505 332.6603 344.5036 365.5063 374.6602 386.3232 399.9013 422.2840 461.9945 496.4485 503.6032 516.1018 528.8272 534.3180 538.4190 548.2177 559.8393 567.6402 587.6406 608.3400 633.6857 641.0844 652.4579 653.5058 672.6575 674.0014 695.5426 704.7382 724.1171 742.1852 774.0346 779.9174 794.0528 796.9307 829.0772 832.7223 841.3654 871.5285 872.2423 875.8279 876.3636 891.6311 923.1564 950.8079 980.0102 983.6590 984.1251 985.5695 994.7299 1000.8310 1007.5225 1011.6076 1048.6864 1062.8506 1080.3932 1086.5327 1090.0011 1091.7786 1101.9029 1118.8940 1150.6623 1153.2540 1168.6713 1169.5967 1181.3869 1189.1156 1205.8251 1207.2511 1211.5490 1233.6375 1243.7338 1245.9352 1254.8561 1266.9218 1275.4349 1283.2186 1295.3285 1303.7522 1305.7455 1319.2860 1322.4706 1331.9098 1343.6828 1346.2405 1394.0162 1394.6426 1395.8616 1400.4920 1428.5334 1430.5949 1435.7330 1439.9450 1449.8889 1452.7311 1470.5275 1483.6771 1562.5182 1564.2913 1567.1021 1574.1084 1585.7625 1593.0503 1594.5833 1619.3528 1623.7317 1630.6143 1633.9170 1638.6874 1645.2033 1646.4121 1647.7244 1653.2141 1655.1433 1659.9194 1662.6046 1680.2517 1683.0579 1774.1145 1787.0785 1788.1285 1805.2472 1808.5575 1814.8498 1829.5078 1853.5287 2069.6285 2567.5064 3193.7994 3201.8697 3202.0541 3206.6201 3211.1913 3215.1348 3221.0951 3230.8533 3246.1381 3246.9279 3256.6468 3258.1058 3273.0606 3273.9997 3284.8767 3342.2588 3357.9533 3360.4588 3377.0539 3377.9885 3378.8178 3381.1997 3401.8988 3402.2898 3407.7662 3424.8202 3816.6576 3933.2859
4.0823 4.7274 6.0409 5.8236 6.1882 6.7961 3.7994 6.3088 6.6304 5.1156 1.0420 4.5916 1.8042 6.4409 4.0912 4.1910 3.6685 3.0683 2.9377 5.2291 1.1037 6.8701 5.0106 4.8021 1.3290 3.1673 5.9170 4.4553 3.4059 6.2755 4.7998 3.9323 3.7800 2.6606 5.8557 4.0136 3.5389 1.4452 3.6424 5.0938 4.5907 3.4985 4.0640 3.7431 3.9801 2.6079 1.8223 3.1740 3.7075 6.9503 8.5500 3.7853 6.7426 3.6754 5.9031 5.9946 5.9555 5.5191 5.5316 6.0329 6.0485 2.3979 6.6755 4.1572 2.4594 1.1500 4.8017 4.1817 1.4984 3.5993 2.0686 3.7468 4.2295 2.3805 1.7942 1.7838 1.2082 1.3600 1.6800 2.6811 1.3720 1.7655 3.6052 4.8048 3.5827 5.7447 1.6213 1.3072 1.3744 1.3200 2.6490 1.4167 1.9913 2.1756 2.1591 1.5783 2.7932 2.0848 1.7544 2.3348 2.6944 3.3283 2.1887 2.7130 2.5294 2.1587 3.4345 2.9946 1.6013 2.6524 2.7068 1.6299 1.9022 3.3932 2.4461 1.1055 1.2036 1.6300 1.7050 4.0498 1.9189 3.9666 2.7679 1.0764 1.7127 1.3629 1.3325 4.4716 1.2869 1.2430 1.2119 1.4970 1.7656 4.0434 1.3978 2.7383 1.0515 1.7852 1.0542 1.0409 1.2364 1.2711 1.0464 1.1086 1.5783 2.1271 1.1608 2.9351 3.9813 5.7422 5.4089 6.0714 1.8976 5.6816 6.4686 3.1263 12.8230 12.6859 1.0522 1.0428 1.0414 1.0390 1.0853 1.0571 1.0624 1.1069 1.1016 1.1049 1.1018 1.1064 1.1010 1.1063 1.1018 1.0957 1.0880 1.0881 1.0949 1.0920 1.0906 1.0952 1.0941 1.0962 1.0936 1.0946 1.0478 1.1035
0.0001 0.0002 0.0006 0.0014 0.0027 0.0054 0.0036 0.0080 0.0110 0.0135 0.0039 0.0205 0.0099 0.0419 0.0351 0.0412 0.0424 0.0400 0.0387 0.0899 0.0202 0.1538 0.1187 0.1621 0.0482 0.1236 0.2392 0.1946 0.1504 0.3367 0.2776 0.2294 0.2465 0.1860 0.4609 0.3319 0.3112 0.1362 0.3827 0.6406 0.6666 0.5228 0.6378 0.6168 0.6695 0.4454 0.3227 0.5861 0.7038 1.4141 1.8643 0.8956 1.6327 0.9218 1.4853 1.5981 1.5940 1.5731 1.6187 1.8638 1.9630 0.8465 2.3924 1.5443 0.9203 0.4657 1.9617 1.7441 0.6706 1.6134 0.9349 1.6954 1.9811 1.1953 0.9557 1.0094 0.6888 0.7761 0.9615 1.5631 0.8097 1.0559 2.1737 3.1133 2.3845 3.9508 1.1277 0.9151 0.9652 0.9443 1.9539 1.1051 1.5604 1.7507 1.7402 1.2979 2.3271 1.7860 1.5065 2.0192 2.4159 3.0334 2.0018 2.5170 2.3920 2.0690 3.3321 2.9604 1.6037 2.6644 2.7758 1.6796 1.9882 3.6095 2.6120 1.2658 1.3793 1.8713 1.9703 4.8693 2.3139 4.8175 3.3813 1.3332 2.1296 1.7365 1.7282 6.4323 1.8553 1.7986 1.7692 2.2179 2.6400 6.0575 2.1597 4.2536 1.6472 2.8080 1.6678 1.6600 1.9746 2.0332 1.6850 1.7894 2.5622 3.4643 1.9309 4.8986 7.3831 10.8048 10.1896 11.6576 3.6570 11.0257 12.7564 6.3283 32.3613 49.2713 6.3238 6.2991 6.2913 6.2945 6.5940 6.4383 6.4943 6.8075 6.8394 6.8633 6.8851 6.9198 6.9496 6.9870 7.0047 7.2116 7.2282 7.2398 7.3571 7.3419 7.3361 7.3769 7.4601 7.4761 7.4822 7.5646 8.9929 10.0583
0.2838 0.3754 0.1508 0.2954 0.7505 2.7657 0.7842 0.3271 0.3498 0.8271 0.1501 0.8973 0.2155 2.4560 0.2754 6.2836 9.9989 1.1498 4.4053 2.4040 0.1910 0.4448 1.1447 0.0252 0.2152 0.9980 0.6206 0.8958 0.8324 4.3272 3.9279 4.9618 5.5277 0.1167 1.3146 15.1335 20.5357 66.8263 5.4712 1.8488 9.6054 2.9664 7.3346 16.2554 30.9149 87.2991 153.0341 0.3511 0.1670 6.2880 3.2934 0.1604 2.7371 18.8654 0.6157 3.4192 7.1823 4.6810 1.4532 5.3317 0.6400 9.5580 26.7044 12.1781 4.0013 5.7853 25.3546 60.1503 61.4158 26.4352 26.6035 20.1365 8.2068 2.7828 6.0934 15.0075 0.1731 1.1510 6.8994 41.5792 10.0581 14.8008 7.4662 14.2012 31.1495 3.0408 8.6413 0.6360 0.1079 0.3466 2.2539 1.1152 0.0434 6.6182 67.3126 0.6665 111.5036 6.3013 5.0120 14.7756 3.1779 25.1291 4.2067 36.8374 42.2097 12.7790 232.9372 12.8931 2.9084 138.5172 50.0759 50.9417 39.0096 1393.6372 21.0721 4.7197 0.7791 60.9622 3.6729 356.9943 154.2051 44.0582 219.6676 0.5650 57.0569 4.5392 10.6450 326.1534 3.4927 8.1106 0.0379 83.9540 10.7680 97.1764 62.4226 55.8458 1.7718 11.4626 0.2976 5.7649 72.0157 33.0485 11.7500 2.6212 73.1364 109.5282 0.2140 196.4768 181.8451 87.3682 79.2583 20.4971 52.3429 123.8574 56.5228 566.5937 256.9580 104.1165 7.6048 10.1937 61.3230 67.6362 17.0664 23.6928 22.6967 20.7172 22.7691 0.2372 30.7877 24.6791 51.5545 104.9339 30.0217 5.8505 5.5790 10.6835 41.1877 7.4245 6.9046 17.4291 18.3572 5.9846 17.0222 0.4897 91.4787 58.1904
3.2179 3.3948 0.9313 0.5784 4.1267 1.8878 2.7712 1.5005 2.4640 2.3014 0.1546 1.0352 1.1343 1.4646 0.4832 0.9784 0.9514 0.1727 0.0966 1.4009 0.0166 1.5281 2.2694 1.8420 0.6231 3.4710 0.9629 1.4795 1.0157 1.4766 2.3166 4.3976 1.2180 0.4211 4.3509 1.4853 1.1437 5.7392 0.6063 2.4508 1.0167 1.8452 2.0043 2.1935 3.9646 1.3446 3.8134 0.1993 2.9777 2.5957 2.0941 0.7498 1.6055 0.6702 0.4743 2.6800 3.1747 4.2723 1.3139 4.0692 10.8470 1.6748 5.6956 2.2459 0.2121 0.9608 14.1030 11.2106 0.9188 10.4637 6.1936 3.0782 0.9744 3.4571 8.1079 3.1726 0.8878 1.6530 11.6243 0.7622 1.5519 1.1187 0.2314 23.8927 3.1674 38.9140 2.0581 0.3655 1.4812 0.4235 9.4573 1.9083 0.1486 9.8676 1.2964 0.5104 5.7744 13.6552 1.0127 8.1267 26.9904 4.3682 19.3420 4.0767 4.2361 8.6526 3.7717 2.4360 2.3638 2.0965 1.7361 0.5550 0.8075 1.9066 7.6415 13.1407 0.1784 1.7970 3.1422 6.8573 16.3535 37.5384 5.0057 24.6050 4.2883 1.5484 9.0547 8.2726 5.1238 1.6482 16.2521 2.2921 0.8136 1.2077 10.6651 1.7401 25.6930 4.0829 29.8075 21.6032 13.6075 2.9556 9.3411 0.4829 5.9271 0.2475 8.8638 1.5034 21.3990 25.2424 22.4024 15.8272 17.1624 15.2031 38.9885 43.4018 5.7585 202.2685 11.5977 15.6452 158.2026 234.4695 49.8449 78.5813 77.1940 83.6032 57.1613 59.8003 94.1895 25.9806 115.3700 7.9178 64.0881 67.3615 68.2891 55.3509 140.4783 30.6495 49.6647 88.3669 123.4968 108.1341 128.1218 78.8429 117.2208 58.7908
0.7496 0.7498 0.7477 0.7392 0.7384 0.7383 0.7500 0.6865 0.7462 0.7479 0.7387 0.7494 0.7383 0.3380 0.7227 0.6610 0.7394 0.6031 0.5924 0.3437 0.4487 0.2807 0.5791 0.6905 0.7500 0.7491 0.7146 0.7048 0.7088 0.4588 0.3440 0.6483 0.5971 0.0648 0.5310 0.6547 0.7417 0.6045 0.7472 0.1888 0.7058 0.3449 0.5122 0.6296 0.7485 0.1421 0.7468 0.7499 0.1918 0.3097 0.5150 0.7413 0.6700 0.5556 0.7477 0.7422 0.5183 0.2826 0.5031 0.1038 0.2151 0.1961 0.2376 0.7446 0.7440 0.3250 0.3307 0.0827 0.7017 0.3142 0.2233 0.3084 0.7427 0.4194 0.2179 0.4094 0.6312 0.7451 0.2878 0.7431 0.6400 0.3355 0.5371 0.1657 0.4705 0.1059 0.0925 0.7445 0.5897 0.7333 0.5967 0.7499 0.6649 0.1929 0.2522 0.7404 0.7226 0.2174 0.4495 0.6658 0.2505 0.1789 0.7003 0.5914 0.2911 0.2361 0.4763 0.7493 0.7494 0.2290 0.7244 0.1170 0.7085 0.1227 0.1943 0.7388 0.7498 0.5266 0.1880 0.4966 0.2629 0.0840 0.3200 0.7496 0.7489 0.2730 0.5063 0.7493 0.6432 0.6879 0.4293 0.6688 0.6665 0.4140 0.5499 0.4863 0.7500 0.7432 0.7129 0.7497 0.7499 0.5757 0.7499 0.3441 0.7424 0.6955 0.6487 0.3064 0.4404 0.7185 0.5700 0.7314 0.4462 0.7462 0.6236 0.0997 0.7275 0.3027 0.3133 0.1617 0.0106 0.0221 0.1788 0.0280 0.1669 0.7500 0.7435 0.7499 0.7500 0.7445 0.5451 0.7482 0.7229 0.5438 0.7148 0.6807 0.2871 0.4432 0.4122 0.2206 0.1418 0.1847 0.1924 0.2737 0.1563 0.6978
0.8569 0.8570 0.8557 0.8501 0.8495 0.8494 0.8571 0.8141 0.8546 0.8558 0.8497 0.8568 0.8495 0.5053 0.8391 0.7959 0.8502 0.7524 0.7441 0.5116 0.6195 0.4384 0.7335 0.8169 0.8571 0.8565 0.8335 0.8268 0.8296 0.6290 0.5119 0.7866 0.7478 0.1217 0.6937 0.7914 0.8517 0.7535 0.8553 0.3176 0.8275 0.5129 0.6774 0.7727 0.8561 0.2488 0.8550 0.8571 0.3219 0.4730 0.6799 0.8514 0.8024 0.7143 0.8557 0.8520 0.6828 0.4407 0.6694 0.1881 0.3541 0.3279 0.3840 0.8536 0.8532 0.4905 0.4971 0.1527 0.8247 0.4782 0.3651 0.4714 0.8524 0.5909 0.3578 0.5810 0.7739 0.8539 0.4469 0.8526 0.7805 0.5025 0.6988 0.2843 0.6399 0.1915 0.1693 0.8535 0.7419 0.8461 0.7474 0.8571 0.7987 0.3235 0.4028 0.8508 0.8389 0.3572 0.6202 0.7993 0.4006 0.3035 0.8238 0.7433 0.4510 0.3820 0.6453 0.8567 0.8568 0.3727 0.8402 0.2094 0.8294 0.2186 0.3254 0.8498 0.8570 0.6899 0.3165 0.6637 0.4163 0.1550 0.4849 0.8569 0.8564 0.4289 0.6722 0.8567 0.7828 0.8151 0.6007 0.8015 0.7999 0.5856 0.7096 0.6544 0.8571 0.8527 0.8324 0.8570 0.8571 0.7307 0.8571 0.5120 0.8522 0.8204 0.7869 0.4691 0.6115 0.8362 0.7261 0.8448 0.6171 0.8546 0.7682 0.1813 0.8422 0.4648 0.4771 0.2784 0.0210 0.0433 0.3034 0.0545 0.2861 0.8571 0.8529 0.8571 0.8571 0.8535 0.7056 0.8559 0.8391 0.7045 0.8337 0.8100 0.4461 0.6142 0.5838 0.3614 0.2483 0.3118 0.3227 0.4298 0.2704 0.8220
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
6 6 6 8 6 6 6 6 6 6 6 1 6 6 6 6 6 6 8 6 6 6 7 7 8 6 8 6 8 6 6 6 6 6 6 6 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
12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 14.00307 15.99491 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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
8274.9199 58453.1461 64361.0586
0.99994 -0.01127 0.00082 0.01127 0.99993 0.00295 -0.00085 -0.00294 1.00000
1
0.01047 0.00148 0.00135
0.21810 0.03088 0.02804
8.64 13.51 18.31 29.29 38.80 52.62 57.43 66.81 76.18 96.28 114.03 125.32 139.18 151.26 173.59 185.79 201.57 214.08 215.13 245.84 253.74 280.50 288.48 344.41 357.05 370.29 376.87 391.77 393.93 434.14 450.80 452.71 478.62 495.66 525.88 539.05 555.83 575.37 607.57 664.71 714.28 724.57 742.56 760.86 768.76 774.66 788.76 805.48 816.71 845.48 875.27 911.73 922.38 938.74 940.25 967.80 969.74 1000.73 1013.96 1041.84 1067.84 1113.66 1122.13 1142.46 1146.61 1192.86 1198.10 1210.54 1253.94 1254.96 1260.12 1260.89 1282.86 1328.22 1368.00 1410.02 1415.27 1415.94 1418.01 1431.19 1439.97 1449.60 1455.48 1508.83 1529.20 1554.44 1563.28 1568.27 1570.83 1585.39 1609.84 1655.55 1659.28 1681.46 1682.79 1699.75 1710.87 1734.91 1736.97 1743.15 1774.93 1789.46 1792.62 1805.46 1822.82 1835.07 1846.27 1863.69 1875.81 1878.68 1898.16 1902.74 1916.32 1933.26 1936.94 2005.68 2006.58 2008.33 2015.00 2055.34 2058.31 2065.70 2071.76 2086.07 2090.16 2115.76 2134.68 2248.12 2250.67 2254.71 2264.79 2281.56 2292.04 2294.25 2329.89 2336.19 2346.09 2350.84 2357.71 2367.08 2368.82 2370.71 2378.61 2381.38 2388.25 2392.12 2417.51 2421.54 2552.56 2571.21 2572.72 2597.35 2602.11 2611.16 2632.25 2666.81 2977.73 3694.07 4595.17 4606.78 4607.04 4613.61 4620.19 4625.86 4634.44 4648.48 4670.47 4671.61 4685.59 4687.69 4709.20 4710.56 4726.20 4808.77 4831.35 4834.95 4858.83 4860.17 4861.37 4864.79 4894.57 4895.14 4903.02 4927.55 5491.32 5659.12
0.553368
0.585564
0.586508
0.482156
-1597.140988
-1597.108792
-1597.107847
-1597.212199
3.499983D-04
MUNgauss
RevisionA1.9
retrievium
28-Nov-2019
DUDE CCCOc1cccc(c1)[C@H]2c3ccc(cc3OC(=C2C#N)N)OC(=O)COc4cccc(c4C)C C38684468
RHF
6-31G(d)
(6D,10F)
C1
484.199791
|X|Y|Z|
63.503293 29.148783 177.367809
68.986454
26
|36.858105|
|12.466525|36.858105|
|7.536692|12.547447|36.858105|
|5.101095|8.063756|13.558484|73.516695|
|3.888538|5.224489|7.981822|25.139266|36.858105|
|3.598590|4.394307|6.691370|13.998235|13.785693|36.858105|
|2.850799|3.333416|4.495515|9.252271|7.965374|13.671392|36.858105|
|2.518903|2.973071|3.778839|8.211957|6.851157|7.890314|13.853388|36.858105|
|2.612569|3.195703|3.970950|9.407854|7.887674|6.824564|7.950585|13.635371|36.858105|
|3.147472|4.087872|5.248841|14.597359|13.635140|7.927249|6.926517|7.955852|13.825066|36.858105|
|2.224616|2.664722|3.104425|7.011091|4.998567|4.410152|5.006198|7.478292|12.464660|7.577251|36.858105|
|2.275652|2.764450|3.134738|7.213953|4.848827|4.017858|4.221081|5.598732|8.998412|7.522550|17.547154|0.500000|
|2.008489|2.353537|2.700588|5.850557|4.014872|3.739787|4.320084|6.070567|7.532737|5.349574|12.535377|0.249983|36.858105|
|2.052165|2.407699|2.734498|5.897620|3.922887|3.603704|3.964637|5.055491|6.084181|5.008883|7.500317|0.190852|13.685285|36.858105|
|1.839682|2.108378|2.353728|4.878391|3.138668|2.990043|3.284165|3.947012|4.313035|3.719114|4.992404|0.129583|7.871792|13.817116|36.858105|
|1.654592|1.867904|2.078274|4.226515|2.716135|2.658375|2.990762|3.599928|3.748617|3.159924|4.429005|0.111589|6.848810|8.002393|13.761208|36.858105|
|1.626940|1.836414|2.056232|4.192187|2.733843|2.700993|3.122363|3.896955|3.997715|3.222641|4.986409|0.119625|7.850651|6.891056|7.926571|13.861857|36.858105|
|1.772498|2.029793|2.302038|4.803808|3.217431|3.134964|3.694038|4.958566|5.306301|3.975826|7.528999|0.163874|13.807274|8.054763|6.935338|8.044398|13.753683|36.858105|
|1.689584|1.918728|2.170661|4.472696|2.981189|2.950328|3.510715|4.659566|4.782101|3.611098|6.554716|0.143913|7.913266|5.226617|4.629723|5.313600|8.194831|13.904542|73.516695|
|1.778839|2.035219|2.309566|4.808972|3.225840|3.148017|3.719981|5.010250|5.341246|3.985608|7.568474|0.164100|6.862915|4.577138|3.839642|4.050640|5.352033|8.135666|25.386204|36.858105|
|2.008470|2.349582|2.695507|5.815536|3.992997|3.727881|4.319305|6.088963|7.512903|5.311537|12.563810|0.249499|7.699544|5.027796|3.900180|3.806431|4.609889|6.914846|14.384105|14.172421|36.858105|
|2.062255|2.413551|2.738974|5.866212|3.904712|3.591611|3.960042|5.060222|6.075584|4.984293|7.503993|0.191830|5.002376|3.788667|3.065180|2.968945|3.433176|4.559735|9.332178|8.021286|13.331001|36.858105|
|2.063868|2.399717|2.679985|5.630119|3.607420|3.315594|3.520559|4.179000|4.816857|4.351261|5.334252|0.146205|3.875353|3.130610|2.606574|2.524117|2.852492|3.585909|7.205091|5.605218|7.417832|16.718904|53.358707|
|1.634593|1.841206|2.065333|4.193614|2.744366|2.724567|3.171702|3.976354|4.036465|3.230010|5.011787|0.119245|4.623141|3.464096|3.065865|3.291915|4.216589|5.444000|15.327744|14.034286|7.894777|6.740747|7.334648|53.358707|
|1.514331|1.684424|1.851592|3.684404|2.317624|2.293849|2.541740|2.927284|2.977711|2.605809|3.354932|0.086774|4.580811|5.258852|8.067412|13.814850|7.938345|5.225855|7.168894|3.208525|3.000397|2.452780|2.913706|3.750418|73.516695|
|1.384276|1.530242|1.660624|3.281702|2.034191|2.001809|2.192090|2.499535|2.564223|2.278324|2.922161|0.077201|3.791179|4.126616|5.576339|8.040784|6.293055|4.391415|6.472339|2.941683|2.711644|2.264121|2.722245|3.545635|25.230113|36.858105|
|1.354599|1.501230|1.621689|3.219467|1.990495|1.940748|2.119515|2.439296|2.541523|2.254308|2.980328|0.079601|3.820523|3.978382|5.015959|6.957174|6.320293|4.537840|6.881586|3.118977|2.831777|2.365438|2.841576|3.787290|15.145365|16.188871|73.516695|
|1.291862|1.411806|1.521749|2.960728|1.813188|1.799946|1.951466|2.165339|2.188892|1.984682|2.408281|0.064049|2.978291|3.255540|4.197034|5.239489|4.329144|3.315089|5.105539|2.408839|2.248882|1.929203|2.358365|2.975699|14.646356|12.596587|14.050806|36.858105|
|1.193316|1.298339|1.387637|2.687882|1.631742|1.613823|1.737272|1.918127|1.948883|1.782038|2.153340|0.057894|2.587158|2.754257|3.366048|4.049902|3.606436|2.879606|4.599822|2.208005|2.052531|1.789090|2.208419|2.784223|9.667748|8.118703|12.643119|13.795656|73.516695|
|1.117004|1.205786|1.281632|2.458519|1.480460|1.469789|1.570869|1.708837|1.725987|1.596647|1.874801|0.050600|2.198439|2.336408|2.780596|3.198793|2.893708|2.401124|3.902614|1.913128|1.793610|1.588125|1.980460|2.441645|7.242135|5.229427|8.392925|8.012954|24.915971|36.858105|
|1.113354|1.195768|1.271416|2.421947|1.455110|1.453937|1.549940|1.666598|1.668522|1.552353|1.780702|0.047924|2.075158|2.227981|2.648338|2.975164|2.658034|2.233109|3.618375|1.787182|1.690584|1.502940|1.879476|2.277385|6.722195|4.432319|6.812519|6.780412|14.048988|13.749153|36.858105|
|1.038251|1.107771|1.171332|2.214778|1.321354|1.322113|1.400418|1.491166|1.490193|1.398317|1.576850|0.042611|1.803510|1.921931|2.228670|2.447115|2.229699|1.922074|3.159427|1.584286|1.505885|1.355222|1.708490|2.038327|5.278024|3.357216|5.380430|4.542740|9.263352|7.967768|13.751419|36.858105|
|0.979819|1.044103|1.099116|2.077041|1.234728|1.231225|1.300453|1.385687|1.390854|1.308422|1.478699|0.040153|1.674439|1.764924|2.015223|2.207216|2.049174|1.786931|2.973708|1.502030|1.425235|1.291819|1.636261|1.949281|4.638953|2.988622|4.991452|3.812800|8.226718|6.905062|7.946976|13.822758|36.858105|
|0.982133|1.050569|1.105483|2.099571|1.249847|1.240528|1.312428|1.409355|1.423324|1.334359|1.530992|0.041682|1.736783|1.816780|2.070755|2.292893|2.150720|1.869113|3.124991|1.574312|1.485163|1.344609|1.701509|2.049179|4.796279|3.197756|5.519407|3.990136|9.377725|7.940339|6.843296|7.920766|13.681869|36.858105|
|1.044825|1.124625|1.188298|2.273462|1.361178|1.347291|1.432913|1.554673|1.576470|1.466370|1.716139|0.046636|1.976080|2.069025|2.394438|2.710500|2.528607|2.152454|3.569430|1.774109|1.662359|1.489347|1.871247|2.294301|5.802483|4.087046|7.116148|5.261970|14.500164|13.626236|7.849344|6.826525|7.890132|13.664408|36.858105|
|1.038933|1.122022|1.183578|2.275062|1.362324|1.340619|1.426125|1.559196|1.594124|1.479261|1.760100|0.048069|2.018050|2.081552|2.375334|2.703293|2.585549|2.216923|3.721223|1.853001|1.724686|1.548229|1.946618|2.412574|5.599468|4.021024|7.601436|4.606488|12.268674|7.531818|4.998398|4.426452|5.002513|7.528633|12.589881|36.858105|
|0.920225|0.981719|1.028192|1.947904|1.154311|1.143395|1.204873|1.290537|1.306564|1.230448|1.405443|0.038443|1.572400|1.628740|1.822350|1.996743|1.905092|1.686075|2.856231|1.455782|1.375020|1.257287|1.601518|1.913070|4.051959|2.656241|4.722481|3.110404|6.972740|5.020871|4.435089|5.035611|7.589933|12.601709|7.554489|6.488108|36.858105|
|17.537429|8.762200|6.811436|8.312100|3.729849|3.570929|2.850246|2.492610|2.544443|3.014463|2.162732|0.060906|1.940017|1.953164|1.752193|1.592744|1.581156|1.727569|2.960701|1.764660|1.986261|2.062552|2.836914|2.226616|2.591912|1.336063|2.329470|1.246851|2.052463|1.081402|1.076891|1.005524|0.950521|0.953463|1.013524|1.009257|0.894978|0.500000|
|17.535422|8.760591|6.810611|8.312594|3.721031|3.567398|2.843876|2.484127|2.534065|3.002284|2.153563|0.060619|1.977779|2.042247|1.848887|1.660951|1.621656|1.751456|2.950265|1.728581|1.934037|1.956240|2.637023|2.158686|2.718481|1.392553|2.407140|1.306854|2.138926|1.129072|1.131138|1.055755|0.993140|0.991547|1.052972|1.041874|0.926808|0.301445|0.500000|
|17.565456|8.798788|5.491583|7.488633|3.299122|3.026498|2.478133|2.241355|2.346084|2.791244|2.046108|0.058675|1.859664|1.905517|1.721515|1.552775|1.523622|1.650588|2.800865|1.655774|1.859409|1.914512|2.621144|2.081341|2.540843|1.315589|2.294936|1.231857|2.032932|1.073621|1.069535|1.000576|0.946985|0.949663|1.007891|1.003384|0.892436|0.302057|0.302026|0.500000|
|8.823885|17.553712|8.948494|13.137536|4.937204|4.048311|3.158687|2.890924|3.169361|4.067152|2.689268|0.078617|2.331997|2.349454|2.045651|1.823555|1.809179|2.014667|3.419269|2.066375|2.405080|2.526947|3.478989|2.557311|2.913712|1.499413|2.635951|1.377511|2.264301|1.181225|1.165360|1.080027|1.022164|1.032667|1.106494|1.110013|0.968296|0.210023|0.172492|0.211906|0.500000|
|8.824290|17.550020|8.945819|13.139309|4.916667|4.042845|3.149853|2.877653|3.149410|4.037508|2.671784|0.078006|2.397953|2.508280|2.203175|1.927247|1.870120|2.052537|3.403264|2.009427|2.314567|2.339692|3.130470|2.456459|3.095730|1.580010|2.749273|1.459136|2.381162|1.243701|1.234497|1.142537|1.075341|1.081207|1.158034|1.153540|1.008686|0.172510|0.209982|0.211933|0.303486|0.500000|
|6.859261|8.840375|17.528237|16.526063|7.059685|6.768446|4.581717|3.737281|3.782302|4.759912|2.960308|0.081678|2.660560|2.745578|2.398538|2.110999|2.065387|2.280940|3.785107|2.225092|2.552292|2.530418|3.322895|2.704707|3.368095|1.687157|2.901477|1.556491|2.509069|1.306807|1.304772|1.202162|1.122847|1.123894|1.206125|1.193670|1.041616|0.168376|0.203032|0.140373|0.174205|0.213112|0.500000|
|6.854123|8.838184|17.534059|16.534047|7.125526|6.795937|4.610180|3.767810|3.818783|4.811589|2.985370|0.082417|2.571323|2.540170|2.198138|1.976208|1.983912|2.229409|3.808217|2.304449|2.677169|2.775603|3.754570|2.843009|3.136106|1.589552|2.768616|1.457970|2.372688|1.234471|1.223429|1.129517|1.062335|1.069350|1.147895|1.145392|0.997064|0.202867|0.168234|0.140307|0.213193|0.174163|0.300926|0.500000|
|3.996170|4.660306|7.387356|12.459075|8.876812|17.765038|8.916688|5.642259|4.930760|5.625906|3.533162|0.091305|3.107822|3.048110|2.621344|2.358821|2.378242|2.688260|4.540508|2.698200|3.099386|3.039202|3.916624|3.263741|3.699957|1.831550|3.146826|1.671091|2.676045|1.383122|1.376593|1.260159|1.174169|1.177946|1.271126|1.259917|1.088131|0.112323|0.112555|0.090851|0.115098|0.115333|0.226226|0.224404|0.500000|
|2.645721|2.974836|3.896132|7.457223|5.667992|8.935297|17.711095|8.965033|5.649354|4.979237|4.078991|0.096672|3.718625|3.442982|2.985681|2.796536|2.929242|3.358051|5.787496|3.383366|3.723679|3.443068|4.242123|4.062379|4.320994|2.104772|3.596875|1.897949|3.007541|1.539373|1.527753|1.385412|1.284742|1.291306|1.403945|1.390814|1.185358|0.074412|0.074296|0.064155|0.077950|0.077811|0.113166|0.113605|0.216771|0.500000|
|2.212541|2.547540|3.125191|6.514388|4.941185|5.626850|8.951293|17.723474|8.861191|5.650820|6.918311|0.139925|6.291777|4.951509|4.033700|3.883791|4.417359|5.709621|9.944685|5.808004|6.362614|4.980582|5.502794|6.219088|5.577781|2.669523|4.631972|2.294254|3.602025|1.794868|1.744598|1.553917|1.442475|1.470151|1.628537|1.634928|1.342851|0.061109|0.060897|0.055355|0.069133|0.068825|0.086613|0.087253|0.124302|0.216172|0.500000|
|3.123298|4.133309|4.890702|13.593558|8.971077|5.666739|4.980665|5.636066|8.893600|17.722339|6.997490|0.231561|5.019734|4.845248|3.614231|3.042140|3.067110|3.737197|6.019395|3.742234|4.986463|4.836342|5.885647|4.168348|4.486801|2.238801|3.978743|1.947933|3.133912|1.579729|1.528633|1.379180|1.296135|1.326618|1.458277|1.478869|1.227513|0.081890|0.081489|0.078582|0.118053|0.116872|0.120138|0.121496|0.124280|0.107987|0.123743|0.500000|
|2.269975|2.716210|3.086270|6.839590|4.495109|3.927818|4.094922|5.001386|6.385537|5.845617|6.988423|0.196691|8.942969|17.723666|8.968658|5.678797|4.961946|5.703010|7.481185|3.947489|4.559250|3.644778|4.191165|4.193538|7.555627|3.468644|5.943320|2.867532|4.382314|2.135218|2.058424|1.798926|1.656203|1.694897|1.906787|1.910752|1.528770|0.059263|0.062704|0.058403|0.073165|0.079904|0.086039|0.077749|0.091657|0.096457|0.126853|0.162432|0.500000|
|1.830197|2.085379|2.299479|4.702066|2.947519|2.801486|2.990394|3.432857|3.715903|3.381348|4.068879|0.109599|5.608764|8.889947|17.746371|8.939748|5.654592|4.986662|6.528353|3.165263|3.248986|2.665024|3.156473|3.560575|13.186580|5.305778|8.167151|4.288919|6.043535|2.852240|2.765881|2.325429|2.081871|2.116841|2.432508|2.371597|1.850746|0.048060|0.051457|0.047785|0.055774|0.061249|0.065764|0.059082|0.069451|0.076215|0.095338|0.092504|0.214702|0.500000|
|1.502080|1.676963|1.865363|3.745090|2.414637|2.415062|2.786551|3.384769|3.383002|2.782444|4.085866|0.099748|5.624973|4.966340|5.630923|8.890258|17.777223|8.934148|13.442846|4.951368|4.056029|3.141030|3.618771|5.728303|12.680883|6.464369|12.049672|4.502655|6.845127|3.060878|2.768003|2.315337|2.139926|2.266089|2.687102|2.774168|2.006463|0.040764|0.041599|0.039206|0.046005|0.047207|0.052028|0.050428|0.059944|0.074193|0.107802|0.073726|0.107760|0.124100|0.500000|
|1.513223|1.690721|1.878530|3.773788|2.433983|2.423213|2.792597|3.413094|3.442049|2.822146|4.224601|0.103347|4.179442|3.240536|2.973847|3.294250|4.284407|5.176333|14.513717|9.509324|5.893117|5.073986|5.837657|26.037168|4.995555|2.714669|5.236356|2.272675|3.820680|1.877694|1.736062|1.551476|1.489978|1.576566|1.773046|1.880929|1.474436|0.041986|0.040948|0.039513|0.047771|0.046268|0.050552|0.052559|0.060010|0.074037|0.108671|0.075083|0.079341|0.070792|0.124954|0.500000|
|1.645520|1.852821|2.065622|4.183570|2.705903|2.662140|3.032853|3.703329|3.822530|3.162104|4.602311|0.114096|4.015178|3.107596|2.734691|2.864768|3.511708|4.407956|10.868099|9.434584|7.236757|7.606117|8.879057|26.034323|4.330439|2.318513|4.394879|1.975774|3.313471|1.651120|1.544964|1.393703|1.338764|1.406014|1.562971|1.645329|1.321539|0.045967|0.044045|0.042856|0.053026|0.050152|0.054637|0.058464|0.065454|0.079022|0.113571|0.084265|0.078946|0.065975|0.096440|0.313902|0.500000|
|1.320570|1.442809|1.549075|3.008614|1.829554|1.807849|1.938438|2.130630|2.166968|1.992197|2.354728|0.063240|2.893436|3.271460|4.275718|4.940715|3.906462|3.099394|4.715742|2.265562|2.159148|1.863601|2.286126|2.779867|13.292237|8.997179|11.010095|17.544958|16.488897|7.037967|6.795358|4.619139|3.769751|3.803500|4.767206|4.077753|2.973633|0.035234|0.037232|0.035030|0.038949|0.041680|0.044205|0.040967|0.046764|0.052191|0.061834|0.054538|0.081702|0.128963|0.107590|0.058248|0.051706|0.500000|
|1.283105|1.395891|1.513189|2.926350|1.801372|1.812504|1.982697|2.186204|2.166663|1.953230|2.347024|0.061578|2.883864|3.105919|3.932291|4.938794|4.224841|3.240704|5.059001|2.379581|2.206581|1.894614|2.317919|2.960131|13.409546|8.996202|10.960075|17.546877|16.483321|6.987087|6.763401|4.595290|3.747267|3.778019|4.731546|4.052167|2.956255|0.034508|0.036167|0.033885|0.037716|0.039897|0.043186|0.040442|0.046925|0.054169|0.064976|0.052664|0.076045|0.110099|0.124897|0.062819|0.054424|0.301580|0.500000|
|1.170148|1.257950|1.343715|2.559861|1.543544|1.548567|1.655256|1.776662|1.769154|1.642677|1.874464|0.050178|2.203456|2.395399|2.892762|3.243898|2.832292|2.360419|3.775300|1.855700|1.761755|1.557089|1.939805|2.344567|7.534508|4.737916|6.912163|7.553221|12.594660|8.870140|17.759142|8.948633|5.663180|4.939888|5.597589|4.074056|3.548932|0.031393|0.033132|0.031134|0.033910|0.036116|0.038493|0.035838|0.040718|0.045395|0.051681|0.044705|0.061384|0.084964|0.080990|0.049354|0.044046|0.227306|0.228013|0.500000|
|1.029574|1.094044|1.156197|2.174788|1.294516|1.300218|1.373621|1.451124|1.443250|1.360089|1.511637|0.040809|1.718628|1.836908|2.117374|2.292644|2.086306|1.816210|2.986376|1.506134|1.439223|1.299840|1.642551|1.937680|4.886223|2.998281|4.775401|3.933783|7.468811|5.662638|8.940271|17.714551|8.932673|5.635278|4.927612|3.541519|4.104053|0.027691|0.029174|0.027563|0.029542|0.031349|0.033084|0.030967|0.034583|0.037887|0.041890|0.037173|0.048106|0.061741|0.059710|0.040767|0.036897|0.113993|0.113594|0.216719|0.500000|
|0.933902|0.991068|1.040048|1.956459|1.158487|1.156471|1.217010|1.289211|1.292140|1.221463|1.365815|0.037152|1.531421|1.609321|1.816212|1.966722|1.838733|1.624375|2.720011|1.385590|1.319475|1.204194|1.532416|1.806252|4.057463|2.559036|4.309584|3.148352|6.523063|4.968507|5.652192|8.947218|17.715917|8.906446|5.626415|4.081402|7.065542|0.025187|0.026311|0.025119|0.026953|0.028333|0.029521|0.027960|0.030757|0.033468|0.037177|0.033626|0.042237|0.052115|0.053140|0.038271|0.034620|0.087283|0.086830|0.124557|0.215487|0.500000|
|0.999139|1.076092|1.135746|2.176900|1.304527|1.288870|1.374399|1.499981|1.525181|1.412590|1.680114|0.045716|1.908129|1.940226|2.182262|2.487912|2.436535|2.109815|3.604438|1.802489|1.666215|1.504062|1.898007|2.376935|5.055734|3.532846|6.717155|3.930391|9.677560|5.880041|4.289815|3.966054|4.575250|6.679521|8.837775|17.534683|6.543158|0.027048|0.027807|0.026803|0.029617|0.030615|0.031776|0.030659|0.033711|0.037382|0.043857|0.039125|0.049495|0.059907|0.073570|0.051810|0.045101|0.095990|0.100697|0.099308|0.090312|0.107728|0.500000|
|1.094292|1.188174|1.257667|2.433378|1.464384|1.436717|1.534824|1.694383|1.740899|1.603903|1.946986|0.053116|2.261670|2.327156|2.680205|3.113320|2.984138|2.515602|4.195043|2.063070|1.907452|1.695424|2.117099|2.668334|6.484320|4.903711|9.800591|5.340755|14.771998|7.252935|4.750343|3.969425|4.169021|5.563558|8.838261|17.662392|4.757755|0.029513|0.030431|0.029299|0.032688|0.033939|0.035168|0.033775|0.037292|0.041400|0.049515|0.044574|0.058649|0.073524|0.089669|0.058039|0.050210|0.126033|0.125083|0.112833|0.090393|0.095889|0.302011|0.500000|
|1.016551|1.097114|1.150666|2.209914|1.314967|1.287162|1.359346|1.481429|1.524856|1.426781|1.682073|0.046356|1.909600|1.977285|2.233927|2.485151|2.367908|2.067579|3.471187|1.750292|1.644633|1.487737|1.879685|2.279161|5.041368|3.522219|6.701318|3.916330|9.599483|5.853038|4.279280|3.966191|4.588010|6.719191|8.838697|17.539702|6.622283|0.027394|0.028284|0.027359|0.030201|0.031397|0.032175|0.030886|0.033653|0.036714|0.042844|0.039863|0.050930|0.062409|0.069408|0.049119|0.043494|0.100955|0.095295|0.099000|0.090314|0.108112|0.302677|0.302014|0.500000|
|0.906805|0.967434|1.014918|1.923513|1.142562|1.133818|1.198827|1.286751|1.299802|1.219379|1.402041|0.038246|1.564649|1.603919|1.783635|1.970214|1.908334|1.691315|2.893943|1.474569|1.383493|1.266583|1.614579|1.952054|3.965436|2.604428|4.697214|2.985384|6.679925|4.586059|3.963976|4.301999|5.885326|8.818587|6.710040|6.582577|17.545807|0.024557|0.025329|0.024410|0.026554|0.027531|0.028505|0.027420|0.029952|0.032812|0.037339|0.033741|0.041660|0.049798|0.056415|0.042029|0.037441|0.077514|0.079716|0.090296|0.099596|0.153005|0.214403|0.134314|0.177189|0.500000|
|0.920951|0.983934|1.026961|1.948972|1.151277|1.134376|1.190654|1.277000|1.301621|1.230326|1.405322|0.038676|1.568108|1.627651|1.815189|1.972908|1.878274|1.672127|2.827800|1.447541|1.372957|1.258353|1.605098|1.899069|3.967552|2.605978|4.700503|2.986684|6.667900|4.580823|3.964238|4.307072|5.897744|8.819091|6.693665|6.549390|17.544501|0.024847|0.025722|0.024858|0.027007|0.028134|0.028835|0.027619|0.029955|0.032408|0.036766|0.034260|0.042581|0.051317|0.054567|0.040599|0.036547|0.080271|0.077146|0.090294|0.099736|0.153493|0.173741|0.134170|0.216132|0.302789|0.500000|
|0.885718|0.941273|0.983903|1.855731|1.096471|1.088386|1.143724|1.217705|1.229277|1.162403|1.312547|0.035907|1.459024|1.512603|1.682743|1.826199|1.742166|1.554569|2.638512|1.352876|1.283188|1.178887|1.506739|1.781022|3.679980|2.360693|4.154546|2.751536|5.911870|4.187239|3.986433|4.800701|7.350467|8.858379|5.574805|4.752853|17.587479|0.023938|0.024816|0.023888|0.025761|0.026857|0.027729|0.026521|0.028881|0.031336|0.035116|0.032184|0.039669|0.047638|0.050708|0.037991|0.034288|0.074221|0.073849|0.090806|0.114154|0.227877|0.133829|0.104412|0.134840|0.301896|0.301920|0.500000|
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