Version2.1
2020-12-28T22:44:43Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
11-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOc1ccc(cc1OC)[C@@H]2c3c(n[nH]c3C(=O)N2C4CCCCC4)c5ccc(cc5)Cl C40342599
RHF
6-31G(d)
(6D,7F)
CCOc1ccc(cc1OC)[C@@H]2c3c(n[nH]c3C(=O)N2C4CCCCC4)c5ccc(cc5)Cl
C01[X(C26H28Cl1N3O3)]
177
C1
555
CCOc1ccc(cc1OC)[C@H]1N(C2CCCCC2)C(=O)c2c1c(n[nH]2)c1ccc(cc1)Cl
CCOc1ccc(cc1OC)[C@H]1N(C2CCCCC2)C(=O)c2c1c(n[nH]2)c1ccc(cc1)Cl
CCOc1ccc(cc1OC)[C@H]2N(C3CCCCC3)C(=O)c4[nH]nc(c5ccc(Cl)cc5)c24
InChIKey=ZEVBFVVEZFHENN-RUZDIDTESA-N
InChI=1S/C26H28ClN3O3/c1-3-33-20-14-11-17(15-21(20)32-2)25-22-23(16-9-12-18(27)13-10-16)28-29-24(22)26(31)30(25)19-7-5-4-6-8-19/h9-15,19,25H,3-8H2,1-2H3,(H,28,29)/t25-/m1/s1
InChI=1/C26H28ClN3O3/c1-3-33-20-14-11-17(15-21(20)32-2)25-22-23(16-9-12-18(27)13-10-16)28-29-24(22)26(31)30(25)19-7-5-4-6-8-19/h9-15,19,25H,3-8H2,1-2H3,(H,28,29)/t25-/m1/s1/f/h29H
CCOc1ccc(cc1OC)[C@@H]2c3c(n[nH]c3C(=O)N2C4CCCCC4)c5ccc(cc5)Cl
C01[X(C26H28Cl1N3O3)]
177
C01
555
CCOc1ccc(cc1OC)[C@H]1N(C2CCCCC2)C(=O)c2c1c(n[nH]2)c1ccc(cc1)Cl
CCO[C]1[CH][CH][C]([CH][C]1OC)[C@H]1N(C2CCCCC2)C(=O)[C]2[C]1[C]([N][NH]2)[C]1[CH][CH][C]([CH][CH]1)Cl
CCO[C]1[CH][CH][C]([CH][C]1OC)[C@@H]2[C]3[C]([N]N[C]3C(=O)N2C4CCCCC4)[C]5[CH][CH][C](Cl)[CH][CH]5
InChIKey=ZEVBFVVEZFHENN-RUZDIDTESA-N
InChI=1S/C26H28ClN3O3/c1-3-33-20-14-11-17(15-21(20)32-2)25-22-23(16-9-12-18(27)13-10-16)28-29-24(22)26(31)30(25)19-7-5-4-6-8-19/h9-15,19,25H,3-8H2,1-2H3,(H,28,29)/t25-/m1/s1
InChI=1/C26H28ClN3O3/c1-3-33-20-14-11-17(15-21(20)32-2)25-22-23(16-9-12-18(27)13-10-16)28-29-24(22)26(31)30(25)19-7-5-4-6-8-19/h9-15,19,25H,3-8H2,1-2H3,(H,28,29)/t25-/m1/s1/f/h29H
3523.9642548924
-1848.2754703
1-A
18256.2493
123
432
555
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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11.00937
-1.6386 1.9297 0.7270
2.6339
|XX|YY|ZZ|XY|XZ|YZ|
-225.0445 -197.1785 -188.5517 -8.0887 -5.3278 -5.4109
|XX|YY|ZZ|XY|XZ|YZ|
-21.4529 6.4131 15.0398 -8.0887 -5.3278 -5.4109
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-96.4751 25.9437 5.5094 47.1956 27.7372 8.9427 -15.8750 52.5984 -47.9582 18.2575
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-14414.7921 -8259.3662 -2088.1037 -159.7653 -138.6590 -120.3262 -75.1508 47.6204 107.8473 -3760.1400 -2769.0502 -1554.2233 -56.7113 -11.4669 34.6322
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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|
13.1065 17.8747 21.9345 29.1416 42.1467 45.7467 53.9078 65.4004 76.6101 78.0886 97.9598 113.5149 122.1824 138.9443 154.8875 164.6557 181.7229 198.3393 223.2015 240.6892 243.9973 256.8776 260.6312 276.2451 285.8966 303.0377 313.8821 329.7328 352.6402 363.1293 371.3783 400.4542 406.6288 413.2600 435.0159 457.3160 467.6044 484.9261 507.4543 522.4123 532.8836 542.3713 559.7654 566.5943 581.9316 645.5363 665.6100 675.7199 681.3888 694.9854 723.1363 726.9368 773.4070 790.1099 810.2271 815.1673 821.1392 845.1406 853.3965 866.1351 866.8446 876.0990 901.6776 909.2064 925.9828 940.5871 946.3872 955.6075 968.2782 976.0366 991.5050 1009.8764 1013.6152 1019.4955 1042.2902 1063.1234 1091.0865 1099.6168 1107.2670 1109.6439 1117.1720 1134.1219 1145.6348 1162.9078 1172.3994 1184.3164 1197.4345 1200.2664 1204.9337 1217.9381 1222.9453 1237.6008 1245.8884 1249.4420 1279.7597 1285.8738 1293.8676 1300.3503 1306.5555 1307.6643 1321.4155 1324.6989 1328.2395 1335.0512 1394.9593 1396.6059 1400.5413 1403.5119 1417.2073 1428.9456 1433.2021 1440.6604 1453.0435 1459.3900 1463.0903 1486.1298 1487.9506 1503.2167 1523.1699 1527.0295 1528.9866 1530.4387 1545.8964 1549.3117 1580.0077 1586.4897 1593.5020 1598.4023 1615.6290 1628.5074 1634.0055 1635.9126 1639.4293 1644.7018 1645.1673 1646.4004 1651.8521 1659.8875 1663.7486 1678.7579 1690.4750 1709.8729 1711.4398 1757.1382 1783.3478 1790.0100 1808.6206 1811.9808 1966.3966 3178.0848 3182.0982 3191.8904 3200.1881 3203.6555 3204.4122 3213.2187 3217.7177 3223.5989 3230.9109 3232.3520 3234.6853 3238.3777 3239.2779 3264.2722 3269.1966 3283.7117 3284.0402 3298.7831 3330.9363 3378.6514 3392.4249 3393.7994 3394.9774 3410.7846 3411.9743 3416.5196 3922.0841
4.1933 5.9733 4.6061 3.8144 3.2829 6.2960 4.8073 5.5096 3.9003 3.7325 4.8697 1.8357 5.9105 4.8516 4.0675 5.8154 4.1859 6.4096 2.5411 3.3447 1.9409 4.9418 6.4383 1.1753 7.0297 2.0360 4.9521 3.2299 5.6319 2.0073 3.8563 4.5873 5.2615 5.4924 5.1298 2.9801 4.0090 3.4184 3.7692 3.2340 1.7897 5.5697 1.9479 4.8394 2.9262 4.4905 5.1084 5.0957 4.3105 6.5947 3.5412 5.9063 4.5924 4.9070 6.3721 4.2416 4.8604 5.0758 5.5095 1.4585 2.6662 4.5236 1.1243 2.4031 3.4429 1.4849 1.2794 1.6735 2.0000 1.7001 1.5740 1.4110 2.4279 3.2422 4.1055 1.3555 1.4040 4.1883 1.4029 2.1336 2.7631 3.1535 1.4180 3.8273 1.2755 3.7559 2.1940 1.9874 3.3507 3.6936 3.2510 3.1112 2.8707 2.4965 2.0985 2.7841 1.2682 1.5164 2.2072 1.2212 1.6699 1.7856 2.1147 1.5149 1.8284 2.5599 2.6512 1.2660 1.3311 2.5322 1.0977 1.6305 1.4276 2.9264 1.2844 1.7869 1.6863 1.3886 1.3981 1.6968 1.8644 1.6597 1.2365 2.2678 2.8095 1.3773 2.2371 1.8511 3.8629 1.0409 1.0893 1.0956 1.3274 1.0580 1.1022 1.0979 1.0479 1.0561 1.1030 1.1536 3.0538 2.7589 5.2448 6.4429 7.3416 6.3059 5.5362 5.4794 12.0449 1.0700 1.0713 1.0644 1.0548 1.0359 1.0700 1.0851 1.0384 1.0743 1.0869 1.0912 1.0950 1.0940 1.1094 1.1073 1.0980 1.1020 1.1003 1.1053 1.1009 1.0908 1.0906 1.0906 1.0914 1.0933 1.0956 1.0944 1.0830
0.0004 0.0011 0.0013 0.0019 0.0034 0.0078 0.0082 0.0139 0.0135 0.0134 0.0275 0.0139 0.0520 0.0552 0.0575 0.0929 0.0814 0.1486 0.0746 0.1142 0.0681 0.1921 0.2577 0.0528 0.3385 0.1102 0.2875 0.2069 0.4126 0.1560 0.3134 0.4334 0.5126 0.5527 0.5720 0.3672 0.5165 0.4736 0.5719 0.5200 0.2994 0.9653 0.3596 0.9154 0.5839 1.1025 1.3334 1.3708 1.1791 1.8767 1.0910 1.8389 1.6185 1.8049 2.4646 1.6606 1.9309 2.1360 2.3641 0.6447 1.1804 2.0457 0.5386 1.1705 1.7393 0.7740 0.6751 0.9004 1.1048 0.9542 0.9117 0.8479 1.4697 1.9855 2.6278 0.9027 0.9848 2.9838 1.0134 1.5478 2.0318 2.3898 1.0966 3.0495 1.0330 3.1039 1.8535 1.6869 2.8662 3.2281 2.8647 2.8076 2.6254 2.2962 2.0249 2.7122 1.2509 1.5107 2.2200 1.2303 1.7180 1.8462 2.1982 1.5908 2.0963 2.9418 3.0639 1.4694 1.5751 3.0463 1.3285 1.9939 1.7758 3.6722 1.6199 2.3252 2.1997 1.8487 1.9111 2.3312 2.5680 2.2904 1.7411 3.2072 4.1323 2.0425 3.3468 2.7865 5.9408 1.6265 1.7137 1.7275 2.1020 1.6861 1.7576 1.7533 1.6847 1.7143 1.7989 1.9156 5.1417 4.7524 9.0512 11.7205 13.7567 11.9044 10.6697 10.5997 27.4406 6.3677 6.3912 6.3892 6.3643 6.2640 6.4731 6.6006 6.3342 6.5774 6.6850 6.7173 6.7506 6.7593 6.8587 6.9516 6.9144 7.0013 6.9916 7.0863 7.1968 7.3363 7.3947 7.4006 7.4118 7.4937 7.5149 7.5269 9.8158
0.0384 0.0321 0.1403 0.0657 0.2784 0.1391 2.3473 1.6033 4.3596 2.4976 0.8614 0.1158 1.1815 1.2667 0.6468 0.2063 0.1180 0.5214 0.6605 0.9903 0.2572 2.5178 3.2022 0.4897 2.3132 0.4091 0.3791 1.7246 5.0509 1.1266 0.9787 5.8836 0.4264 10.3063 4.2926 0.0015 1.0607 0.6013 3.5393 0.3406 2.1980 25.4308 72.2943 8.9841 4.6518 3.2983 33.9441 1.6028 7.0338 2.6700 2.9792 26.1641 15.5263 6.6467 8.3670 13.7896 37.3518 36.8377 10.6923 0.1150 6.3494 2.2063 3.1412 1.5333 20.7943 7.7965 3.8246 39.0808 7.3392 2.9595 33.9621 0.8593 6.8508 18.8986 24.4765 1.0113 3.8937 39.0909 3.1929 11.3086 8.2297 16.6801 1.8712 60.6121 0.5807 17.8042 14.8611 2.4712 50.6210 26.4105 11.6210 100.5720 25.1648 10.8032 136.4529 35.9130 2.8655 5.1883 44.8961 2.3918 41.0119 42.9357 18.3756 2.8746 135.4603 238.0372 58.0103 3.3171 8.9018 100.6937 1.1161 7.4036 55.7866 223.0186 1.5114 85.8728 68.3109 1.5555 1.3843 8.5113 26.6005 4.7056 15.9043 196.6636 1.1547 64.7815 70.7885 67.8320 53.8088 3.5746 0.0063 2.1789 2.7109 4.3194 3.1615 5.5158 3.9585 26.8794 3.0669 48.8666 43.4400 262.4934 5.0004 23.8503 26.8052 30.4026 38.4502 16.7736 646.9300 15.1195 33.8998 26.7196 35.9522 32.1292 48.8913 21.9043 31.8705 33.4843 35.8875 91.5138 70.8674 33.2715 39.1568 54.7946 18.5714 36.1165 46.7339 43.3743 41.0320 9.2236 9.5728 4.7212 2.8681 10.8279 4.0322 0.3580 198.1103
6.1803 2.7545 0.9881 3.4658 0.2239 1.1554 0.7344 0.6356 1.0752 1.7384 1.0363 0.1001 0.1454 0.2578 1.1265 0.8270 0.6667 0.7341 1.3157 2.8123 0.3795 0.1864 1.7763 0.0115 1.8580 1.6852 2.5062 0.7253 1.6827 1.2993 0.8642 1.0755 2.5957 0.8002 1.4761 0.3904 1.0030 1.9717 1.4805 0.5237 0.3436 2.4989 0.3652 3.8950 1.4031 0.3130 2.0481 0.6218 6.2390 7.9976 1.3561 5.3366 1.9830 1.0090 8.6619 1.8656 4.9502 16.4523 5.4590 1.7810 8.9784 8.7601 0.7000 7.3151 13.8231 2.1567 2.2066 0.4303 0.9742 3.8539 1.7275 0.5746 5.9461 2.2125 1.5990 2.2698 2.9887 1.9678 0.5729 14.4131 11.4732 11.7113 8.6139 9.8824 0.7059 6.7726 3.5873 1.3206 21.0352 1.8787 3.3031 13.9627 3.7027 9.7574 2.3301 1.4299 3.8980 1.2579 2.1194 9.7250 4.2994 3.0877 9.3367 4.6230 5.0839 2.8005 34.1847 6.4734 14.6255 29.3713 13.7784 7.7195 4.5065 17.7294 5.4020 18.0156 14.5662 2.6058 0.7569 17.1562 22.2507 15.5490 0.4463 6.1356 44.4647 5.9264 18.1240 23.9562 108.4795 22.9454 22.6987 20.3259 4.4951 17.4739 0.6119 1.1613 21.8047 12.0573 2.4950 10.5482 69.4487 11.4263 4.8930 14.7552 2.8135 12.7967 81.2363 270.4079 35.4255 28.4318 80.6838 61.6729 26.0767 88.0751 59.1059 37.2328 160.3233 55.2772 66.5323 78.8396 174.7589 179.7878 57.5238 38.6672 22.0132 92.3035 17.1254 41.3683 136.4977 31.9404 36.6276 35.3578 74.0185 93.8867 83.6176 185.9272 128.4720
0.7408 0.7491 0.7499 0.7337 0.5092 0.7196 0.7500 0.7074 0.7063 0.6877 0.7370 0.7456 0.7490 0.7499 0.5885 0.7264 0.2393 0.3104 0.5855 0.2143 0.2597 0.6404 0.5879 0.4190 0.3051 0.3945 0.0565 0.7499 0.3259 0.3051 0.4423 0.4318 0.7337 0.3763 0.7290 0.5045 0.6870 0.7014 0.2323 0.6713 0.5184 0.4281 0.5258 0.4138 0.5765 0.6337 0.6346 0.7500 0.3933 0.6569 0.6111 0.0869 0.1440 0.2828 0.1003 0.2417 0.5944 0.1091 0.6915 0.6395 0.2114 0.0504 0.4403 0.0087 0.0471 0.2063 0.5676 0.7444 0.6696 0.4131 0.3122 0.6576 0.7443 0.7338 0.3872 0.6782 0.5683 0.5964 0.6093 0.6989 0.3861 0.1732 0.7367 0.2609 0.5403 0.7372 0.4671 0.7478 0.1316 0.4859 0.6722 0.1514 0.6151 0.2818 0.2132 0.3735 0.7476 0.7489 0.5912 0.1498 0.6468 0.7494 0.1141 0.5678 0.5693 0.7381 0.6222 0.7145 0.7029 0.6895 0.7496 0.4446 0.0543 0.0405 0.7286 0.2773 0.6427 0.7479 0.6551 0.3266 0.2985 0.4236 0.0846 0.1742 0.3452 0.7463 0.3142 0.3758 0.2469 0.7496 0.7500 0.7290 0.7346 0.7040 0.6343 0.2283 0.7474 0.6033 0.7469 0.4235 0.2353 0.2129 0.4748 0.6087 0.6352 0.6586 0.4605 0.4299 0.1481 0.5031 0.2571 0.3327 0.3404 0.0454 0.3089 0.2252 0.0183 0.7356 0.7089 0.3866 0.1500 0.1580 0.7476 0.7500 0.6888 0.7412 0.7072 0.7492 0.4656 0.4877 0.2743 0.3690 0.7495 0.2212 0.1756 0.2034 0.2439
0.8511 0.8565 0.8571 0.8464 0.6748 0.8369 0.8571 0.8286 0.8279 0.8150 0.8486 0.8542 0.8565 0.8571 0.7410 0.8415 0.3862 0.4737 0.7386 0.3530 0.4123 0.7808 0.7405 0.5906 0.4675 0.5658 0.1070 0.8571 0.4916 0.4675 0.6133 0.6032 0.8464 0.5468 0.8432 0.6707 0.8144 0.8245 0.3770 0.8033 0.6828 0.5995 0.6892 0.5854 0.7314 0.7758 0.7765 0.8571 0.5645 0.7929 0.7586 0.1598 0.2518 0.4409 0.1823 0.3893 0.7456 0.1967 0.8176 0.7801 0.3490 0.0959 0.6114 0.0172 0.0900 0.3421 0.7241 0.8535 0.8021 0.5847 0.4758 0.7935 0.8534 0.8464 0.5583 0.8082 0.7247 0.7472 0.7572 0.8227 0.5571 0.2952 0.8484 0.4139 0.7015 0.8487 0.6368 0.8557 0.2326 0.6540 0.8040 0.2630 0.7617 0.4396 0.3515 0.5439 0.8556 0.8564 0.7431 0.2606 0.7855 0.8567 0.2048 0.7244 0.7255 0.8493 0.7671 0.8335 0.8255 0.8162 0.8569 0.6155 0.1030 0.0779 0.8430 0.4343 0.7825 0.8558 0.7916 0.4924 0.4597 0.5951 0.1560 0.2967 0.5132 0.8547 0.4781 0.5463 0.3960 0.8569 0.8571 0.8433 0.8470 0.8263 0.7762 0.3717 0.8554 0.7526 0.8551 0.5950 0.3809 0.3511 0.6439 0.7567 0.7769 0.7941 0.6306 0.6013 0.2580 0.6694 0.4090 0.4992 0.5079 0.0868 0.4720 0.3677 0.0360 0.8477 0.8296 0.5576 0.2608 0.2729 0.8556 0.8571 0.8157 0.8514 0.8285 0.8566 0.6354 0.6557 0.4305 0.5391 0.8568 0.3622 0.2987 0.3381 0.3921
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
6 6 8 6 6 6 6 6 6 8 6 6 1 6 6 7 7 1 6 6 8 7 6 6 6 6 6 6 6 6 6 6 6 6 17 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 15.99491 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 14.00307 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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
14369.3054 21291.8641 30336.1166
0.99988 0.01002 -0.01159 -0.01020 0.99982 -0.01583 0.01143 0.01595 0.99981
1
0.00603 0.00407 0.00286
0.12560 0.08476 0.05949
18.86 25.72 31.56 41.93 60.64 65.82 77.56 94.10 110.22 112.35 140.94 163.32 175.79 199.91 222.85 236.90 261.46 285.37 321.14 346.30 351.06 369.59 374.99 397.46 411.34 436.00 451.61 474.41 507.37 522.46 534.33 576.16 585.05 594.59 625.89 657.98 672.78 697.70 730.11 751.63 766.70 780.35 805.38 815.20 837.27 928.78 957.66 972.21 980.37 999.93 1040.43 1045.90 1112.76 1136.79 1165.74 1172.84 1181.44 1215.97 1227.85 1246.18 1247.20 1260.51 1297.31 1308.15 1332.28 1353.30 1361.64 1374.91 1393.14 1404.30 1426.55 1452.99 1458.37 1466.83 1499.62 1529.60 1569.83 1582.10 1593.11 1596.53 1607.36 1631.75 1648.31 1673.16 1686.82 1703.97 1722.84 1726.92 1733.63 1752.34 1759.55 1780.63 1792.56 1797.67 1841.29 1850.09 1861.59 1870.91 1879.84 1881.44 1901.22 1905.95 1911.04 1920.84 2007.04 2009.40 2015.07 2019.34 2039.05 2055.93 2062.06 2072.79 2090.61 2099.74 2105.06 2138.21 2140.83 2162.79 2191.50 2197.05 2199.87 2201.96 2224.20 2229.11 2273.28 2282.60 2292.69 2299.74 2324.53 2343.06 2350.97 2353.71 2358.77 2366.36 2367.03 2368.80 2376.65 2388.21 2393.76 2415.36 2432.22 2460.13 2462.38 2528.13 2565.84 2575.43 2602.20 2607.04 2829.21 4572.56 4578.33 4592.42 4604.36 4609.35 4610.43 4623.10 4629.58 4638.04 4648.56 4650.63 4653.99 4659.30 4660.60 4696.56 4703.64 4724.53 4725.00 4746.21 4792.47 4861.13 4880.94 4882.92 4884.62 4907.36 4909.07 4915.61 5643.00
0.540478
0.568615
0.569559
0.477511
-1847.734992
-1847.706855
-1847.705911
-1847.797960
3.087339D-04
MUNgauss
RevisionA2.0
retrievium
28-Dec-2020
DUDE CCOc1ccc(cc1OC)[C@@H]2c3c(n[nH]c3C(=O)N2C4CCCCC4)c5ccc(cc5)Cl C40342599
RHF
6-31G(d)
(6D,10F)
C1
465.181920
|X|Y|Z|
80.807511 100.270051 40.893569
69.197859
26
|36.858105|
|12.574846|36.858105|
|8.088758|13.554743|73.516695|
|5.240156|7.997366|25.212986|36.858105|
|4.403494|6.702016|14.017794|13.808152|36.858105|
|3.336362|4.499166|9.223808|7.898936|13.680209|36.858105|
|2.971257|3.776371|8.179758|6.804776|7.926317|13.847491|36.858105|
|3.200027|3.980120|9.412748|7.916253|6.915592|7.981458|13.624227|36.858105|
|4.083191|5.233537|14.526475|13.538569|7.932330|6.857158|7.864494|13.809208|36.858105|
|4.136246|4.783373|13.128272|8.168797|5.297354|4.622370|5.175486|7.890807|14.160431|73.516695|
|3.223210|3.543787|8.519413|5.246875|3.991778|3.801315|4.509744|6.740070|8.028829|24.231267|36.858105|
|2.402490|2.910849|5.982712|4.408878|4.998168|7.526393|12.520348|7.547278|5.006367|6.858001|3.684545|36.858105|
|2.269470|2.683326|5.590175|4.000568|4.203887|5.611266|8.949769|7.442330|4.837254|6.973001|3.977537|17.540494|0.500000|
|2.201310|2.637674|5.214684|3.678582|4.281827|6.096124|7.395310|5.162282|3.918647|5.615546|3.015934|12.608153|0.246925|36.858105|
|2.085122|2.459458|4.783289|3.257842|3.704583|4.786217|5.310782|4.197965|3.412094|5.069579|2.739406|6.779587|0.164748|13.387099|36.858105|
|1.883085|2.193029|4.156345|2.752751|3.147387|3.924869|4.099495|3.322548|2.810890|4.272113|2.312457|5.095383|0.125484|8.547580|14.508693|53.358707|
|1.848829|2.159659|4.073622|2.707313|3.143960|4.008420|4.147631|3.270482|2.748247|4.153690|2.243475|5.418300|0.128626|8.754819|8.949398|19.528538|53.358707|
|1.718165|1.986310|3.697085|2.412283|2.781913|3.427499|3.467445|2.817220|2.424800|3.722175|2.014709|4.319601|0.105625|6.053304|6.218467|12.851388|26.099555|0.500000|
|2.008861|2.380976|4.575472|3.130326|3.684670|5.020184|5.448275|4.013629|3.226825|4.750492|2.555475|8.184899|0.175372|14.149865|8.705465|11.860759|19.460466|0.251034|36.858105|
|2.006361|2.374438|4.570742|3.123255|3.654526|4.937152|5.393095|4.016940|3.230320|4.766296|2.568955|7.967499|0.173158|8.137232|5.363889|7.091960|9.847559|0.171342|12.904833|36.858105|
|1.845500|2.152443|4.069367|2.702374|3.120341|3.957220|4.125742|3.279149|2.753741|4.170886|2.257823|5.362429|0.127627|5.453549|4.151608|5.832861|8.038684|0.158808|7.910027|15.886527|73.516695|
|2.222634|2.662659|5.296174|3.748058|4.323184|6.122750|7.635268|5.371893|4.033020|5.769181|3.105455|12.881254|0.252653|8.271435|5.119796|6.082763|7.281358|0.125074|8.536299|13.993268|14.691182|53.358707|
|2.208743|2.607714|5.214630|3.604200|3.953321|5.050557|6.081038|5.014437|3.936034|5.814297|3.173842|7.439366|0.188272|5.127890|3.710447|4.534369|5.216968|0.095232|5.208659|7.640659|11.540369|17.715284|36.858105|
|2.257906|2.670772|5.165221|3.475183|3.915927|4.726646|4.905063|4.118726|3.545705|5.299554|2.801239|5.163362|0.126238|4.057308|3.124617|3.959400|4.576896|0.086581|4.306434|6.101968|10.687735|10.403578|12.425015|36.858105|
|2.161580|2.483587|4.791644|3.091031|3.288411|3.664473|3.825990|3.531162|3.188821|5.006419|2.695063|3.868138|0.101410|3.128527|2.537639|3.232619|3.628188|0.069804|3.234299|4.184027|7.558183|6.760479|7.548482|12.432502|36.858105|
|1.868036|2.100741|4.054570|2.576821|2.689436|3.003310|3.237981|3.051557|2.723891|4.399618|2.455705|3.459960|0.094889|2.875873|2.370849|3.057266|3.436665|0.066878|3.010242|3.869605|7.231852|5.982844|6.445167|7.519557|12.442905|36.858105|
|1.840190|2.070067|4.078949|2.628605|2.702314|3.082705|3.517593|3.367096|2.889486|4.680744|2.694646|3.950944|0.114313|3.192405|2.599218|3.301073|3.685797|0.070664|3.275452|4.188612|7.483608|6.762022|7.536350|6.434238|7.543727|12.443237|36.858105|
|1.897833|2.173833|4.300837|2.852191|3.018217|3.637595|4.301840|3.866655|3.147425|4.918780|2.802362|5.371634|0.154576|4.202504|3.243445|4.088682|4.695589|0.088252|4.407102|6.119618|10.480960|10.423689|12.415641|7.510954|6.444051|7.525305|12.433364|36.858105|
|2.119259|2.467082|4.835360|3.228918|3.505157|4.203163|4.659743|4.067474|3.427339|5.230949|2.852715|5.194824|0.138178|7.209687|12.874119|10.721296|7.336456|0.120356|5.223106|3.856689|5.619917|5.319051|3.078783|2.637153|2.225484|2.087523|2.287640|2.743753|36.858105|
|1.877452|2.132556|4.104809|2.642453|2.815219|3.226699|3.478697|3.168866|2.778461|4.408596|2.444020|3.840868|0.105432|4.980849|7.655935|9.034800|6.238403|0.109344|4.132330|3.178640|4.843967|4.258307|2.565506|2.241464|1.934234|1.844334|2.013078|2.368002|13.671734|36.858105|
|1.843493|2.057668|3.955367|2.485584|2.572640|2.828983|3.024624|2.887634|2.618426|4.276921|2.391526|3.183149|0.089087|3.792761|5.061647|6.116885|4.687487|0.085209|3.213334|2.619119|4.074156|3.582989|2.239589|1.982220|1.746602|1.668863|1.814274|2.083804|7.891381|13.791685|36.858105|
|2.028153|2.256602|4.396313|2.744387|2.763788|2.959174|3.175650|3.150375|2.919792|4.834112|2.700638|3.182555|0.089727|3.589983|4.476338|5.151744|4.142204|0.075057|2.970973|2.492776|3.863996|3.517498|2.234305|1.981398|1.759834|1.667525|1.810333|2.055202|6.862207|7.979932|13.762607|36.858105|
|2.343411|2.663419|5.329219|3.415118|3.399330|3.644956|3.982177|4.017500|3.697941|5.985036|3.285703|3.818153|0.107014|4.185227|5.044495|5.390496|4.403594|0.078083|3.294082|2.772049|4.211382|4.033259|2.541413|2.232870|1.966019|1.836641|1.997524|2.280301|7.890767|6.880222|7.924573|13.802466|36.858105|
|2.411073|2.827906|5.701702|3.852060|4.021394|4.637274|5.231926|4.888455|4.184233|6.346898|3.417804|5.146760|0.139493|5.991787|7.613259|7.097607|5.620377|0.095514|4.312315|3.465417|5.081800|5.080465|3.050197|2.624224|2.245194|2.078269|2.272060|2.668604|13.717632|7.963581|6.882033|7.980868|13.749362|36.858105|
|1.897209|2.048168|3.944322|2.372076|2.332338|2.410094|2.546022|2.600954|2.505726|4.319355|2.441426|2.506314|0.071165|2.711879|3.175094|3.845820|3.245235|0.060433|2.336579|2.034837|3.226893|2.873422|1.884463|1.699704|1.541882|1.469490|1.584223|1.757606|4.214410|4.771495|7.032147|10.922322|7.037517|4.769502|448.794386|
|17.580670|8.866815|12.965688|4.888414|4.024993|3.136245|2.862410|3.136891|4.007751|7.500552|3.321941|2.332753|0.061820|2.105516|1.973244|2.429470|2.404419|0.045701|1.931285|1.956580|3.217056|2.971928|2.215507|2.276760|2.226401|1.922443|1.885335|1.914936|1.991465|1.768371|1.733118|1.897452|2.181095|2.249658|14.287608|0.500000|
|17.581024|8.866953|12.965193|4.889001|4.025108|3.137064|2.863394|3.137800|4.009150|7.503746|3.323928|2.333740|0.061923|2.156810|2.073023|2.536304|2.459788|0.046559|1.949534|1.922784|3.131364|2.892980|2.093455|2.099639|2.004836|1.758731|1.755329|1.817407|2.148148|1.915215|1.906622|2.127586|2.462859|2.477739|16.204650|0.301052|0.500000|
|17.552923|8.876457|10.255762|4.243317|3.846537|3.003354|2.649314|2.773264|3.381508|5.974946|2.726272|2.192237|0.057291|2.042206|1.949056|2.429398|2.391940|0.045732|1.890030|1.886306|3.115361|2.799171|2.038101|2.108519|2.021396|1.753909|1.713054|1.764375|1.972044|1.765547|1.734065|1.889774|2.149685|2.208009|14.274464|0.300303|0.300317|0.500000|
|8.846119|17.539424|16.531021|7.103246|6.791612|4.605074|3.754107|3.813067|4.774103|7.535311|3.244265|2.921633|0.073895|2.629840|2.410645|2.960626|2.969004|0.056049|2.421717|2.463849|4.010162|3.752340|2.738628|2.899077|2.703324|2.239793|2.163787|2.259059|2.358799|2.039413|1.943169|2.093804|2.441553|2.637962|15.161718|0.212151|0.173409|0.212560|0.500000|
|8.846182|17.540056|16.530998|7.105331|6.792211|4.607698|3.756388|3.814796|4.776643|7.538847|3.246219|2.923605|0.074072|2.731958|2.599881|3.160569|3.075239|0.057654|2.458014|2.397347|3.847683|3.597041|2.517474|2.557269|2.331848|1.991769|1.973290|2.103462|2.632742|2.274763|2.198058|2.416568|2.858486|3.029145|17.516469|0.173409|0.212160|0.212558|0.300939|0.500000|
|4.694214|7.465379|12.560719|8.939339|17.766528|8.949085|5.662640|4.978112|5.636613|7.592591|3.329707|4.089173|0.096631|3.724791|3.333165|4.001311|4.016534|0.073964|3.352979|3.320409|5.192947|5.079972|3.441660|3.565306|3.037997|2.489995|2.447602|2.697710|3.154407|2.604622|2.396092|2.550212|3.052936|3.519650|17.557765|0.115337|0.115333|0.118394|0.227673|0.227635|0.500000|
|2.984175|3.910115|7.454224|5.644067|8.929593|17.727188|8.938803|5.654551|4.944705|6.518874|3.138956|6.945523|0.140158|6.481348|5.065641|5.926087|6.290257|0.109792|5.812505|5.626975|8.002358|8.618470|4.928805|4.823292|3.604978|2.968331|2.993861|3.587718|4.181842|3.248784|2.789869|2.833721|3.378851|4.306118|18.483631|0.077687|0.077716|0.076830|0.113925|0.114016|0.217429|0.500000|
|2.805259|3.324885|7.600507|5.634776|4.976559|5.678643|8.921862|17.748747|8.959009|12.621288|7.549119|7.065544|0.232435|4.874573|4.027875|4.355085|4.269803|0.075371|3.814744|3.831729|5.611951|6.935288|4.904727|3.842017|3.396574|3.062745|3.525528|4.036137|3.968988|3.156028|2.899121|3.158326|3.963707|4.698093|21.077476|0.077443|0.077470|0.068216|0.088495|0.088537|0.107993|0.124449|0.500000|
|3.193703|3.341602|7.772558|4.411475|3.416498|3.190291|3.614245|4.912206|5.891755|17.027316|17.649556|3.048293|0.090397|2.580881|2.390012|2.798710|2.713683|0.050287|2.233127|2.244808|3.566694|3.603489|2.723050|2.463915|2.418078|2.226428|2.411519|2.458142|2.505258|2.199062|2.185735|2.471936|2.934425|2.960659|18.510152|0.093069|0.093132|0.075070|0.084406|0.084456|0.082061|0.075159|0.147104|0.500000|
|2.925115|3.232441|7.512158|4.748723|3.797478|3.749955|4.575231|6.735643|7.039366|16.438303|17.551771|3.859427|0.118420|3.056732|2.705511|3.130676|3.090971|0.056759|2.623224|2.706683|4.242806|4.542646|3.550456|3.079172|3.019987|2.771016|3.098262|3.164763|2.738747|2.348005|2.262085|2.493597|2.975360|3.173144|17.959314|0.084841|0.081682|0.069867|0.085098|0.081913|0.088154|0.086798|0.226734|0.300023|0.500000|
|2.926694|3.234424|7.515978|4.751312|3.799515|3.752579|4.578718|6.737824|7.043345|16.436940|17.551784|3.862776|0.119060|3.221330|2.983689|3.371900|3.212383|0.058443|2.669841|2.618601|4.050565|4.272408|3.100872|2.676116|2.523313|2.335078|2.600964|2.771263|3.200031|2.732491|2.699445|3.106325|3.853771|3.940669|22.342397|0.081676|0.084932|0.069905|0.081915|0.085205|0.088204|0.086870|0.226732|0.300019|0.298865|0.500000|
|2.400853|2.845096|5.882962|4.145937|4.341424|5.407243|7.044683|6.336629|4.781052|6.978115|3.830446|7.554837|0.205458|4.835783|3.585887|4.246004|4.665031|0.084503|4.504860|5.741700|8.578371|12.743961|17.562831|8.962228|6.943531|5.765467|6.916550|8.926875|3.096853|2.560899|2.269966|2.310711|2.673646|3.186850|15.708970|0.067442|0.063302|0.060613|0.082279|0.075077|0.101335|0.135160|0.174962|0.089022|0.123015|0.102026|0.500000|
|2.545295|3.093441|5.942607|4.075107|4.807874|5.804842|5.521878|4.491666|3.972036|5.757487|2.932100|5.247410|0.122771|4.137022|3.204720|4.017567|4.569622|0.085738|4.268021|5.634579|9.382570|9.580688|8.866153|17.548666|8.804061|5.483462|4.839433|5.494065|2.723467|2.289850|2.030365|2.047669|2.333712|2.753675|14.073228|0.070884|0.064870|0.065875|0.095285|0.081985|0.121950|0.165413|0.110426|0.071388|0.087926|0.077106|0.217522|0.500000|
|2.066006|2.420946|4.577510|3.023241|3.454486|4.159440|4.187547|3.480805|3.033237|4.596690|2.443055|4.610006|0.112209|3.928859|3.073957|4.031289|4.811025|0.093318|4.456869|6.627538|13.363115|9.438079|8.862241|17.582810|8.835023|6.765722|5.650828|6.772646|2.553199|2.198622|1.931513|1.904005|2.114728|2.480900|13.117952|0.057436|0.053551|0.054283|0.072877|0.065390|0.090030|0.124448|0.090967|0.060444|0.073415|0.065737|0.175106|0.302653|0.500000|
|2.342657|2.686776|5.288694|3.402610|3.491325|3.772959|3.999503|3.879347|3.572034|5.668920|3.047138|3.843324|0.102684|3.034502|2.480954|3.105670|3.406333|0.064895|3.020379|3.737321|6.462780|6.265092|6.794375|8.833086|17.489009|8.851998|6.795198|5.658644|2.219597|1.922469|1.752818|1.788413|2.015614|2.285306|12.641205|0.067939|0.060173|0.060125|0.081155|0.068780|0.088142|0.098968|0.103756|0.075713|0.096779|0.077436|0.205043|0.214850|0.173530|0.500000|
|2.130508|2.429415|4.569086|2.879094|3.087704|3.339864|3.336139|3.081016|2.876895|4.563578|2.426560|3.305386|0.085766|2.785248|2.312893|2.988795|3.347995|0.065315|2.910562|3.665486|6.801262|5.592967|5.500911|8.839929|17.538466|8.812302|5.492676|4.834064|2.042242|1.792542|1.627389|1.638446|1.818540|2.057657|11.615570|0.061088|0.054425|0.055994|0.074576|0.063315|0.081627|0.092984|0.081283|0.061404|0.074167|0.063007|0.141691|0.211612|0.214689|0.303615|0.500000|
|1.801023|1.993882|3.831854|2.385248|2.443071|2.652230|2.833504|2.748639|2.517797|4.164474|2.341609|2.951119|0.081920|2.493041|2.103938|2.717232|3.006141|0.058808|2.574574|3.172547|5.878741|4.836745|4.834873|5.482568|8.813054|17.532198|8.816831|5.485789|1.886913|1.684187|1.541411|1.547613|1.697048|1.892911|11.078768|0.051954|0.047108|0.047077|0.059007|0.052174|0.063342|0.072197|0.077066|0.059873|0.073537|0.061344|0.128747|0.123081|0.139075|0.214762|0.211666|0.500000|
|1.743039|1.956490|3.721086|2.353554|2.497098|2.805119|2.968881|2.738248|2.449490|3.946854|2.193032|3.239433|0.087675|2.797055|2.325428|3.060206|3.494934|0.069137|3.022938|3.936191|7.801003|5.697495|5.666040|6.785779|8.854013|17.505736|8.856057|6.788160|2.027647|1.806567|1.627200|1.609782|1.756318|1.988139|11.384777|0.049461|0.045649|0.045859|0.057979|0.052084|0.065149|0.078982|0.075868|0.055536|0.067520|0.058616|0.132951|0.139188|0.199328|0.173766|0.214563|0.303150|0.500000|
|1.934187|2.166214|4.340452|2.791502|2.788540|3.123885|3.636098|3.654910|3.149221|5.189071|3.046103|3.927244|0.116868|3.094738|2.540667|3.168560|3.455500|0.065606|3.054724|3.739836|6.412583|6.264385|6.782303|5.649314|6.795401|8.854184|17.486421|8.834017|2.283823|2.003324|1.824352|1.843804|2.050909|2.314588|13.019916|0.055502|0.051369|0.049574|0.062506|0.056768|0.069305|0.081897|0.108790|0.075432|0.100312|0.080507|0.204007|0.126907|0.130946|0.200270|0.139507|0.214930|0.173807|0.500000|
|1.669908|1.854956|3.626114|2.301565|2.353723|2.654277|3.000410|2.899669|2.521671|4.159949|2.426141|3.394983|0.099679|2.863610|2.394066|3.083015|3.426842|0.066542|2.962911|3.672077|6.711756|5.596432|5.494708|4.829386|5.491569|8.807795|17.538245|8.835975|2.125965|1.902873|1.723545|1.709534|1.861744|2.093521|12.105326|0.047485|0.044516|0.043409|0.053527|0.049376|0.059847|0.072182|0.085252|0.061168|0.076758|0.065725|0.141214|0.106589|0.126511|0.139462|0.123145|0.211604|0.214570|0.303547|0.500000|
|1.769010|2.018879|3.920160|2.570184|2.769186|3.333021|3.778130|3.318151|2.762078|4.330732|2.443814|4.765111|0.131852|4.068071|3.193270|4.175860|4.958039|0.095556|4.576328|6.656625|12.960715|9.459946|8.864101|6.777524|5.657846|6.769872|8.835774|17.569037|2.654798|2.324044|2.030073|1.972612|2.157035|2.520427|13.550496|0.049306|0.047054|0.046129|0.058455|0.054801|0.070186|0.094664|0.094404|0.060327|0.074972|0.067632|0.174782|0.139451|0.199385|0.131096|0.126617|0.139128|0.199429|0.173522|0.214648|0.500000|
|1.850046|2.106886|4.211686|2.793579|2.903326|3.496121|4.303885|3.979779|3.166759|5.005665|2.931048|5.625028|0.178973|4.404495|3.429543|4.253157|4.773865|0.088533|4.435644|5.655635|9.149432|9.591880|8.836984|5.486876|4.840292|5.484263|8.804507|17.519213|2.930362|2.532705|2.225653|2.190695|2.426221|2.840263|14.964775|0.051715|0.049746|0.047595|0.059894|0.056892|0.071442|0.094243|0.120974|0.071015|0.092314|0.082223|0.215756|0.123606|0.139275|0.126940|0.106599|0.123111|0.139230|0.214707|0.211783|0.302794|0.500000|
|1.728991|1.954018|3.718638|2.377610|2.556919|2.942310|3.137042|2.822221|2.478501|3.947499|2.193916|3.561048|0.097256|4.704116|7.102482|10.097886|6.769947|0.121928|4.190897|3.189559|4.945068|4.122293|2.482925|2.182908|1.883012|1.812409|1.973912|2.329363|8.919901|17.754293|8.954092|5.670123|4.958634|5.661586|31.620224|0.045441|0.048665|0.045500|0.052491|0.057651|0.066519|0.084160|0.078253|0.055195|0.059322|0.067155|0.067620|0.061367|0.060357|0.051453|0.048645|0.045914|0.049816|0.053963|0.052238|0.064583|0.069048|0.500000|
|1.683248|1.854994|3.527662|2.183012|2.252494|2.448597|2.591251|2.487914|2.284608|3.784739|2.128574|2.734326|0.076761|3.208786|4.119715|5.300663|4.184906|0.078183|2.827918|2.347110|3.720470|3.173935|2.014291|1.800778|1.602369|1.543038|1.671410|1.901333|5.623133|8.914877|17.747235|8.922042|5.645956|4.959037|53.768023|0.044104|0.048365|0.044294|0.048863|0.054866|0.058979|0.067602|0.069687|0.054743|0.056237|0.066075|0.056400|0.050972|0.049066|0.044543|0.041691|0.039790|0.041994|0.046555|0.044471|0.051832|0.056287|0.215321|0.500000|
|2.547726|2.866058|5.825903|3.654194|3.479836|3.565878|3.864905|4.121694|3.992603|6.677255|3.647351|3.526563|0.099386|3.650208|4.105425|4.510247|3.841414|0.069011|2.927977|2.550505|3.911312|3.775652|2.443188|2.168093|1.935230|1.798712|1.946981|2.185460|5.625329|4.958081|5.643300|8.930814|17.746893|8.903242|53.754113|0.065633|0.075763|0.064195|0.071495|0.085223|0.086504|0.089544|0.112531|0.091319|0.088730|0.120618|0.072551|0.063329|0.056506|0.055746|0.049844|0.046499|0.047447|0.056119|0.050296|0.056927|0.064246|0.107659|0.124254|0.500000|
|2.717770|3.281441|6.835507|4.880822|5.097864|6.030126|7.095660|6.581950|5.418656|7.708599|4.002174|6.219419|0.162725|6.537888|6.999374|6.526488|5.534860|0.093637|4.523224|3.754151|5.408548|5.776471|3.454038|2.951881|2.498297|2.268507|2.474573|2.914105|8.901451|5.651795|4.960410|5.682563|8.979941|17.761020|31.673759|0.070342|0.077020|0.068107|0.084635|0.097101|0.117764|0.145467|0.164963|0.093364|0.102373|0.127330|0.102612|0.087523|0.076015|0.071375|0.063170|0.057130|0.059634|0.070613|0.062341|0.075149|0.085338|0.124215|0.107691|0.216401|0.500000|
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