Version2.0
2020-07-17T12:53:28Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
25-Jun-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCOc1cc(ccc1O)[C@H]2[C@H]3C(=NN=C3C(=O)N2Cc4ccccc4Cl)c5cc(cc(c5O)C)C C08845164
RHF
6-31G(d)
(6D,7F)
CCOc1cc(ccc1O)[C@H]2[C@H]3C(=NN=C3C(=O)N2Cc4ccccc4Cl)c5cc(cc(c5O)C)C
C01[X(C28H26Cl1N3O4)]
180
C1
596
CCOc1cc(ccc1O)[C@@H]1N(Cc2ccccc2Cl)C(=O)C2=NN=C([C@H]12)c1cc(C)cc(c1O)C
CCOc1cc(ccc1O)[C@@H]1N(Cc2ccccc2Cl)C(=O)C2=NN=C([C@H]12)c1cc(C)cc(c1O)C
CCOc1cc(ccc1O)[C@H]2[C@@H]3C(=NN=C3c4cc(C)cc(C)c4O)C(=O)N2Cc5ccccc5Cl
InChIKey=ICQBIYNECBYIDL-OZXSUGGESA-N
InChI=1S/C28H26ClN3O4/c1-4-36-22-13-17(9-10-21(22)33)26-23-24(19-12-15(2)11-16(3)27(19)34)30-31-25(23)28(35)32(26)14-18-7-5-6-8-20(18)29/h5-13,23,26,33-34H,4,14H2,1-3H3/t23-,26-/m0/s1
InChI=1/C28H26ClN3O4/c1-4-36-22-13-17(9-10-21(22)33)26-23-24(19-12-15(2)11-16(3)27(19)34)30-31-25(23)28(35)32(26)14-18-7-5-6-8-20(18)29/h5-13,23,26,33-34H,4,14H2,1-3H3/t23-,26-/m0/s1
CCOc1cc(ccc1O)[C@H]2[C@H]3C(=NN=C3C(=O)N2Cc4ccccc4Cl)c5cc(cc(c5O)C)C
C01[X(C28H26Cl1N3O4)]
180
C01
596
CCOc1cc(ccc1O)[C@@H]1N(Cc2ccccc2Cl)C(=O)C2=NN=C([C@H]12)c1cc(C)cc(c1O)C
CCO[C]1[CH][C]([CH][CH][C]1O)[C@@H]1N(C[C]2[CH][CH][CH][CH][C]2Cl)C(=O)C2=N[N][C]([C@H]12)[C]1[CH][C]([CH][C]([C]1O)C)C
CCO[C]1[CH][C]([CH][CH][C]1O)[C@H]2[C@H]3[C]([N]N=C3C(=O)N2C[C]4[CH][CH][CH][CH][C]4Cl)[C]5[CH][C](C)[CH][C](C)[C]5O
InChIKey=ICQBIYNECBYIDL-OZXSUGGESA-N
InChI=1S/C28H26ClN3O4/c1-4-36-22-13-17(9-10-21(22)33)26-23-24(19-12-15(2)11-16(3)27(19)34)30-31-25(23)28(35)32(26)14-18-7-5-6-8-20(18)29/h5-13,23,26,33-34H,4,14H2,1-3H3/t23-,26-/m0/s1
InChI=1/C28H26ClN3O4/c1-4-36-22-13-17(9-10-21(22)33)26-23-24(19-12-15(2)11-16(3)27(19)34)30-31-25(23)28(35)32(26)14-18-7-5-6-8-20(18)29/h5-13,23,26,33-34H,4,14H2,1-3H3/t23-,26-/m0/s1
4084.7095914729
-1997.6903633
1-A
17920.7995
132
464
596
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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9.87221
-0.4975 4.7027 -7.4677
8.8391
|XX|YY|ZZ|XY|XZ|YZ|
-205.5305 -229.5064 -219.0768 10.2851 1.5191 5.9481
|XX|YY|ZZ|XY|XZ|YZ|
12.5074 -11.4685 -1.0389 10.2851 1.5191 5.9481
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-31.0155 131.6270 -32.3047 36.2364 23.6155 -108.4719 -10.6583 27.9107 -65.2121 -32.3802
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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0
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180
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10.1215 13.8679 20.4450 27.9251 32.1195 34.8404 55.4233 63.2587 70.8574 89.5637 94.5359 101.8407 106.6045 111.5488 133.6262 146.6826 155.6287 160.0912 177.1253 180.8993 221.1219 229.6702 238.2544 257.1805 265.9460 276.5582 282.5692 290.7030 324.9775 346.6700 358.3001 359.8981 372.2883 383.2260 391.0514 409.5699 425.2767 430.5797 446.2765 463.6227 471.9502 501.6285 504.1736 514.3975 547.4667 552.7403 559.2349 582.1015 588.7992 611.3667 628.5974 631.7406 651.7249 660.9552 675.6593 695.3834 705.6208 737.0506 740.9656 773.6246 781.2317 801.7529 818.0740 834.6215 838.7601 846.4005 861.2536 866.4872 893.3497 902.7858 903.1135 909.1380 940.6944 955.0368 977.6451 986.2443 987.4258 1002.0846 1003.5628 1026.8798 1035.9860 1048.1339 1058.3572 1071.5238 1077.6485 1097.4556 1106.9261 1114.0598 1132.7078 1134.1538 1139.4605 1156.1337 1162.0094 1165.2029 1172.7570 1176.3179 1202.1161 1223.3263 1228.5172 1238.3031 1245.0139 1263.3425 1275.5209 1279.8714 1296.0500 1300.7929 1302.8882 1311.6088 1317.5632 1328.3009 1342.6118 1346.1860 1370.8623 1388.0183 1407.3227 1421.2738 1432.6322 1438.5385 1446.4653 1461.5441 1475.3251 1499.2076 1509.5646 1522.7526 1531.9488 1543.6663 1548.8414 1569.4698 1572.0526 1575.9762 1587.0638 1588.1529 1607.4940 1611.0458 1614.9055 1625.2452 1629.4816 1630.7937 1643.6767 1645.5590 1646.8413 1655.4726 1657.2667 1681.3526 1704.3666 1755.3872 1771.3642 1800.5064 1802.5951 1804.8274 1817.5335 1829.3243 1897.1851 1992.6792 3198.6929 3209.9879 3214.8352 3218.0606 3231.2684 3249.3494 3252.4788 3270.9337 3273.6620 3275.3682 3284.1581 3285.9287 3287.2539 3295.8892 3339.1881 3348.7000 3365.4538 3368.9301 3381.7146 3386.3007 3393.2588 3397.3531 3402.7654 3403.6875 3878.2697 4086.1975
4.4596 6.8958 5.5658 5.6453 6.8471 5.4903 4.3830 5.9818 6.0912 1.0904 5.5049 2.9685 2.1498 5.3406 4.9340 6.0401 4.0851 1.2858 5.9324 3.6775 4.2459 4.4367 4.7863 4.9622 2.3992 5.2023 1.6753 3.5113 5.0938 5.3333 4.5065 4.9889 4.5413 4.4385 4.5007 3.8502 4.0995 1.1851 7.6772 5.8984 3.8360 5.6473 3.9565 3.0316 4.6624 4.9050 4.6379 5.2260 4.7669 5.0696 4.7136 3.2744 4.5496 5.4512 4.2650 4.6242 1.2579 5.4759 5.9664 4.7644 5.3688 3.9727 5.2226 5.5730 5.4405 5.6600 1.3441 5.1886 5.8287 1.9238 1.5662 4.7983 1.6127 2.7788 2.0242 2.0942 1.7246 1.7443 2.1012 2.6074 1.3464 5.0337 2.8133 1.3467 2.6421 1.3622 2.0336 1.7466 3.9113 1.3896 3.6688 2.8040 3.0060 2.6673 1.4733 1.5054 3.2377 2.5066 2.4556 2.1829 2.3478 1.9401 1.7186 2.4259 2.8802 1.5173 2.6008 1.9260 2.0101 1.8351 1.6568 1.9687 1.6150 2.1255 2.8995 1.7503 1.1125 2.6514 2.2059 2.5852 1.7819 1.6940 1.7112 2.3618 1.3715 1.6859 1.2516 1.2649 1.4538 2.5357 2.4301 1.3823 2.0775 2.3208 2.5411 1.0446 1.0409 1.0449 1.1785 1.0584 1.1722 1.3623 2.0053 1.1310 3.1215 8.2174 5.6360 5.2200 5.5404 5.7385 5.8781 5.6375 12.4186 12.3224 1.0373 1.0520 1.0357 1.0413 1.0841 1.1028 1.1090 1.1022 1.0874 1.1024 1.1027 1.1045 1.0617 1.1056 1.1073 1.0915 1.0907 1.0880 1.0922 1.0896 1.0964 1.0910 1.0958 1.0971 1.0669 1.0657
0.0003 0.0008 0.0014 0.0026 0.0042 0.0039 0.0079 0.0141 0.0180 0.0052 0.0290 0.0181 0.0144 0.0392 0.0519 0.0766 0.0583 0.0194 0.1097 0.0709 0.1223 0.1379 0.1601 0.1934 0.1000 0.2344 0.0788 0.1748 0.3170 0.3776 0.3409 0.3807 0.3708 0.3841 0.4055 0.3805 0.4368 0.1294 0.9009 0.7470 0.5034 0.8373 0.5926 0.4726 0.8233 0.8829 0.8546 1.0433 0.9737 1.1164 1.0974 0.7699 1.1385 1.4031 1.1472 1.3174 0.3690 1.7527 1.9300 1.6801 1.9306 1.5046 2.0593 2.2873 2.2551 2.3890 0.5874 2.2952 2.7407 0.9238 0.7526 2.3366 0.8408 1.4933 1.1399 1.2002 0.9907 1.0320 1.2468 1.6199 0.8514 3.2581 1.8567 0.9110 1.8078 0.9666 1.4681 1.2772 2.9567 1.0531 2.8066 2.2082 2.3915 2.1336 1.1939 1.2273 2.7566 2.2102 2.1836 1.9722 2.1441 1.8244 1.6474 2.3413 2.8505 1.5126 2.6012 1.9521 2.0560 1.9077 1.7597 2.1020 1.7882 2.4127 3.3835 2.0831 1.3453 3.2327 2.7193 3.2536 2.2852 2.2433 2.2974 3.2267 1.8964 2.3670 1.7690 1.8358 2.1169 3.7107 3.6063 2.0541 3.1629 3.5490 3.9046 1.6257 1.6283 1.6373 1.8759 1.6885 1.8731 2.1997 3.2450 1.8837 5.3424 14.9186 10.4193 9.9704 10.6069 11.0134 11.4407 11.1153 26.3355 28.8283 6.2533 6.3866 6.3068 6.3535 6.6692 6.8602 6.9124 6.9481 6.8659 6.9679 7.0073 7.0261 6.7597 7.0763 7.2743 7.2117 7.2785 7.2756 7.3594 7.3616 7.4378 7.4189 7.4756 7.4883 9.4549 10.4840
0.4570 0.8525 0.0386 0.9197 0.1175 0.0963 1.5253 0.5813 0.7468 0.0447 2.1194 0.7512 1.2827 1.8814 0.7356 0.5970 0.1470 0.5835 2.0666 0.4546 1.3552 2.0385 0.9943 0.6396 1.0934 2.8445 1.5840 4.5864 2.7552 6.7250 6.6187 0.2446 1.8497 1.2016 1.1770 2.1178 5.5882 113.7606 7.4285 6.8525 3.3972 5.2906 7.3393 1.1742 8.9642 9.8776 10.9436 0.7580 7.5822 11.3461 10.1998 2.8774 11.6591 7.6888 5.9310 30.4918 96.4352 30.1181 10.3131 1.1132 6.3831 3.7727 31.2508 3.2503 22.6692 4.0985 48.9850 19.8621 6.8681 9.1616 12.2562 11.3702 13.6253 11.4507 34.4423 11.3837 4.3023 3.8998 16.1717 27.3258 1.0391 1.0579 5.2597 1.1822 12.0877 3.7786 46.2426 23.1344 19.6824 1.7734 22.0858 19.5864 50.9652 15.0009 0.7136 2.1194 3.5493 17.3550 58.8592 21.3756 7.8799 33.2216 15.5570 28.6302 36.9717 4.1850 90.7164 5.6673 36.3160 51.4469 126.0932 1.1085 50.0874 102.3284 184.9367 23.5918 6.0971 50.4129 130.3273 111.1993 8.2061 27.3404 87.1324 92.7825 15.3113 146.4068 5.3146 0.6101 44.4436 232.8289 13.0778 43.2395 6.3058 75.5838 57.2098 4.6953 3.7482 3.5846 17.4765 3.6965 26.2870 37.9317 32.6477 17.5502 229.2859 253.3892 3.4246 48.5438 3.1675 27.7561 21.9334 48.3288 5.3186 605.3967 44.2864 28.3138 39.8717 20.6577 3.3350 36.9554 20.8259 24.8226 14.5220 19.9329 32.0597 23.6694 9.4537 47.3143 3.3298 26.3104 15.5533 2.1881 9.8100 7.2069 13.1337 9.0022 3.0219 11.5402 297.3665 138.3184
2.2609 2.9309 3.5383 3.6887 1.5020 1.1492 2.2047 2.4331 1.2743 0.0500 1.0092 0.4884 0.3955 2.6579 0.6929 0.7174 1.7808 0.4435 1.4071 0.7572 1.1266 0.4797 3.0880 1.8305 1.9405 3.6979 1.2307 1.3501 2.4228 1.3353 0.6562 1.2038 1.8683 0.6768 2.5300 1.1986 2.1704 1.2402 3.0400 2.3494 3.9704 9.2550 4.6345 0.8139 6.1613 2.7937 2.0073 1.4113 3.2484 2.8803 4.2362 0.8887 2.0228 2.9085 2.6561 2.2462 0.4338 3.3750 7.2416 2.8369 3.8434 1.8552 2.3049 1.6014 3.0920 0.4631 1.9517 9.8935 56.7471 3.3245 0.3782 7.4620 1.7303 1.1280 4.0129 2.6899 2.4160 3.8849 3.0903 3.2445 2.0333 13.5116 4.6700 1.0071 6.0682 0.2815 12.5504 3.8284 19.5809 2.0108 17.8287 4.9334 7.0860 16.2965 1.1952 0.3677 7.3276 3.0150 15.7057 6.0940 0.4544 1.4800 5.2386 14.1577 5.8760 1.0551 6.3972 2.5710 3.2309 7.3399 3.6462 4.7136 25.4646 3.3496 1.4802 0.5540 10.5088 12.6646 13.6735 45.5894 33.8507 3.9275 4.2982 17.4066 4.5111 22.8887 2.4493 13.7805 45.9023 5.0663 11.4427 4.3782 0.6489 127.8902 3.6786 20.6524 18.1430 19.3889 17.6810 15.8294 41.0377 16.0442 2.0494 3.2656 3.5948 450.7269 12.7136 16.3203 28.3826 20.1841 34.8054 124.7775 195.4260 36.5916 138.6714 23.8263 149.0167 160.3772 49.2617 106.0444 70.9495 51.8524 36.8224 80.6662 67.0864 69.1049 68.3584 34.7194 28.9047 104.5482 34.3040 57.3238 81.3672 41.3552 108.9255 19.2314 122.3536 181.4589 61.0068 53.1613
0.7459 0.7326 0.7439 0.7106 0.7189 0.7431 0.7165 0.7434 0.7413 0.6626 0.7373 0.7331 0.7162 0.5508 0.6540 0.6563 0.7437 0.7269 0.6183 0.6183 0.7352 0.5212 0.7273 0.7376 0.5685 0.7497 0.4954 0.4834 0.0987 0.2993 0.2286 0.7446 0.5992 0.6006 0.3914 0.7039 0.5147 0.6389 0.6121 0.5507 0.6483 0.7444 0.1787 0.5278 0.0145 0.4756 0.1220 0.3938 0.3682 0.2840 0.6385 0.7483 0.3504 0.4648 0.3696 0.3818 0.6028 0.4194 0.0972 0.3440 0.0971 0.5589 0.7486 0.7347 0.7471 0.7207 0.4863 0.5467 0.0438 0.1599 0.1414 0.7458 0.6784 0.6563 0.5404 0.5644 0.6824 0.4133 0.7065 0.4875 0.7429 0.1960 0.1657 0.7165 0.6419 0.6801 0.7212 0.4291 0.7500 0.5352 0.0409 0.1954 0.5077 0.3149 0.7493 0.7498 0.6196 0.6765 0.1176 0.7044 0.7411 0.2999 0.5559 0.7415 0.3364 0.7490 0.1113 0.2535 0.6801 0.6207 0.3944 0.3509 0.2243 0.1153 0.3238 0.6312 0.7499 0.0221 0.5837 0.2583 0.4071 0.2782 0.2608 0.3474 0.3059 0.5685 0.2643 0.7211 0.2566 0.6918 0.1865 0.5554 0.7500 0.3249 0.4568 0.7480 0.7432 0.7499 0.5568 0.7355 0.4073 0.3134 0.7019 0.6712 0.2828 0.2945 0.5690 0.7007 0.6394 0.5121 0.6086 0.4610 0.2647 0.1590 0.0573 0.4615 0.0260 0.0090 0.3810 0.7139 0.7235 0.6958 0.2231 0.7440 0.7442 0.7292 0.0378 0.7444 0.7421 0.3212 0.2678 0.7378 0.6726 0.7098 0.2136 0.1997 0.1791 0.1327 0.1722 0.2541
0.8545 0.8456 0.8531 0.8308 0.8365 0.8526 0.8348 0.8528 0.8515 0.7971 0.8488 0.8460 0.8346 0.7104 0.7908 0.7925 0.8530 0.8419 0.7642 0.7641 0.8474 0.6852 0.8421 0.8490 0.7249 0.8569 0.6626 0.6518 0.1796 0.4607 0.3721 0.8536 0.7494 0.7504 0.5626 0.8262 0.6796 0.7797 0.7594 0.7103 0.7866 0.8534 0.3032 0.6909 0.0285 0.6447 0.2175 0.5651 0.5382 0.4424 0.7794 0.8561 0.5190 0.6346 0.5398 0.5526 0.7522 0.5909 0.1772 0.5119 0.1770 0.7171 0.8562 0.8471 0.8552 0.8377 0.6544 0.7069 0.0839 0.2758 0.2477 0.8544 0.8084 0.7925 0.7017 0.7216 0.8112 0.5849 0.8280 0.6554 0.8525 0.3278 0.2843 0.8348 0.7819 0.8096 0.8380 0.6005 0.8571 0.6972 0.0786 0.3269 0.6734 0.4790 0.8567 0.8570 0.7651 0.8071 0.2104 0.8266 0.8513 0.4615 0.7146 0.8516 0.5035 0.8565 0.2004 0.4044 0.8096 0.7659 0.5657 0.5195 0.3663 0.2068 0.4892 0.7739 0.8571 0.0432 0.7372 0.4105 0.5786 0.4352 0.4138 0.5156 0.4685 0.7249 0.4181 0.8380 0.4084 0.8179 0.3143 0.7141 0.8571 0.4904 0.6271 0.8558 0.8527 0.8571 0.7153 0.8476 0.5788 0.4772 0.8249 0.8033 0.4410 0.4550 0.7253 0.8240 0.7800 0.6774 0.7567 0.6310 0.4187 0.2744 0.1085 0.6316 0.0507 0.0179 0.5518 0.8330 0.8396 0.8206 0.3648 0.8532 0.8534 0.8434 0.0729 0.8535 0.8520 0.4862 0.4224 0.8491 0.8042 0.8303 0.3520 0.3329 0.3038 0.2343 0.2938 0.4052
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
6 6 8 6 6 6 6 6 6 8 6 1 6 1 6 7 7 6 6 8 7 6 6 6 6 6 6 6 17 6 6 6 6 6 6 8 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
12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 1.00783 12.00000 14.00307 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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
13802.9757 23785.4657 27220.9471
0.99981 0.01667 -0.00993 -0.01676 0.99982 -0.00878 0.00978 0.00894 0.99991
1
0.00628 0.00364 0.00318
0.13075 0.07588 0.06630
14.56 19.95 29.42 40.18 46.21 50.13 79.74 91.02 101.95 128.86 136.02 146.53 153.38 160.49 192.26 211.04 223.91 230.34 254.84 260.27 318.15 330.44 342.80 370.03 382.64 397.91 406.55 418.26 467.57 498.78 515.51 517.81 535.64 551.38 562.64 589.28 611.88 619.51 642.09 667.05 679.03 721.73 725.39 740.10 787.68 795.27 804.61 837.51 847.15 879.62 904.41 908.93 937.69 950.97 972.12 1000.50 1015.23 1060.45 1066.08 1113.07 1124.02 1153.54 1177.03 1200.83 1206.79 1217.78 1239.15 1246.68 1285.33 1298.91 1299.38 1308.05 1353.45 1374.09 1406.61 1418.99 1420.69 1441.78 1443.90 1477.45 1490.55 1508.03 1522.74 1541.68 1550.50 1578.99 1592.62 1602.88 1629.71 1631.79 1639.43 1663.42 1671.87 1676.47 1687.34 1692.46 1729.58 1760.09 1767.56 1781.64 1791.30 1817.67 1835.19 1841.45 1864.73 1871.55 1874.57 1887.11 1895.68 1911.13 1931.72 1936.86 1972.37 1997.05 2024.82 2044.90 2061.24 2069.74 2081.14 2102.84 2122.66 2157.03 2171.93 2190.90 2204.13 2220.99 2228.44 2258.12 2261.83 2267.48 2283.43 2285.00 2312.83 2317.94 2323.49 2338.37 2344.46 2346.35 2364.88 2367.59 2369.44 2381.86 2384.44 2419.09 2452.20 2525.61 2548.60 2590.53 2593.53 2596.74 2615.03 2631.99 2729.63 2867.02 4602.21 4618.46 4625.43 4630.07 4649.07 4675.09 4679.59 4706.14 4710.07 4712.52 4725.17 4727.72 4729.63 4742.05 4804.35 4818.03 4842.14 4847.14 4865.53 4872.13 4882.14 4888.03 4895.82 4897.15 5579.97 5879.13
0.529443
0.560082
0.561026
0.463201
-1997.160920
-1997.130281
-1997.129337
-1997.227162
3.281067D-04
MUNgauss
RevisionA2.0
retrievium
17-Jul-2020
DUDE CCOc1cc(ccc1O)[C@H]2[C@H]3C(=NN=C3C(=O)N2Cc4ccccc4Cl)c5cc(cc(c5O)C)C C08845164
RHF
6-31G(d)
(6D,10F)
C1
503.161184
|X|Y|Z|
54.779649 69.134487 100.699338
72.518175
27
|36.858105|
|12.576574|36.858105|
|8.066795|13.522884|73.516695|
|5.216372|7.950118|24.975155|36.858105|
|4.372878|6.628922|13.919941|13.827663|36.858105|
|3.318402|4.463958|9.180909|7.901152|13.640453|36.858105|
|2.975865|3.777706|8.220425|6.881900|7.960132|13.780162|36.858105|
|3.205583|3.980136|9.442562|7.947470|6.893115|7.914683|13.714134|36.858105|
|4.098790|5.252192|14.634128|13.629679|7.929909|6.834248|7.940950|13.844935|36.858105|
|4.083851|4.713173|12.826107|7.999317|5.244198|4.609413|5.253145|8.085321|14.158977|73.516695|
|2.832323|3.655276|6.851743|5.029137|7.589666|12.528052|7.484658|4.988789|4.422724|5.991226|36.858105|
|2.978793|3.888352|6.910790|4.828377|7.394138|8.952238|5.630862|4.213673|4.010620|5.579660|17.617192|0.500000|
|2.538574|3.159966|5.807940|4.039993|5.407021|7.313685|5.696265|4.148010|3.690535|5.238453|12.204004|0.242720|36.858105|
|2.403272|2.944246|5.224554|3.478676|4.541109|5.507311|4.371759|3.394703|3.130212|4.578467|8.770283|0.227196|17.530656|0.500000|
|2.586563|3.176369|5.877860|4.017728|4.990265|6.059397|5.221306|4.126913|3.742461|5.407743|6.938005|0.157584|12.648353|0.248253|36.858105|
|2.286354|2.724476|5.155400|3.485994|4.056273|4.994512|4.904238|3.974047|3.457667|5.132409|5.408168|0.122014|8.345174|0.178387|14.896894|53.358707|
|2.107693|2.499880|4.776198|3.258365|3.811132|4.991474|5.165468|3.983233|3.309267|4.906764|5.726189|0.123837|8.276567|0.175314|8.598895|18.431964|53.358707|
|2.202293|2.656941|5.018033|3.465561|4.283575|5.928055|5.603567|4.054640|3.399583|4.934039|8.149052|0.164164|12.867207|0.247142|8.496400|12.084102|20.637510|36.858105|
|2.111338|2.534004|4.807363|3.310672|4.067222|5.674442|5.501481|3.952899|3.277597|4.781259|7.942424|0.165797|7.848440|0.182465|5.305409|7.207392|10.314481|12.769637|36.858105|
|1.884254|2.211986|4.193617|2.816124|3.306268|4.316693|4.421354|3.411212|2.847266|4.284644|5.373548|0.123907|5.327292|0.134331|4.088234|5.812464|8.159086|7.812636|15.961839|73.516695|
|2.392054|2.949397|5.580072|3.932469|5.158657|7.614977|6.404456|4.401894|3.731771|5.279114|12.965780|0.254205|8.165134|0.189579|5.163542|6.323247|7.684701|8.530461|13.983292|14.799521|53.358707|
|2.316514|2.812039|5.307659|3.632544|4.528128|5.882875|5.251552|3.972712|3.466869|5.035374|7.456453|0.192344|5.110210|0.130525|3.740859|4.687665|5.460313|5.226626|7.736122|11.824090|17.849010|36.858105|
|2.171686|2.589768|4.690944|3.057183|3.749025|4.385758|3.806048|3.085543|2.837872|4.258563|5.658664|0.170036|4.342146|0.121947|3.246414|4.020086|4.528839|4.226802|5.635273|9.245780|10.476317|12.541416|36.858105|
|1.889179|2.202811|3.971547|2.543010|3.026215|3.510300|3.175333|2.627553|2.406261|3.689835|4.472298|0.129014|3.877812|0.112780|2.971341|3.783409|4.336388|3.980751|5.309667|9.611181|8.178593|7.606622|13.652025|36.858105|
|1.759274|2.017793|3.572472|2.229782|2.605473|2.894674|2.617498|2.235685|2.094916|3.270419|3.561080|0.105939|3.222151|0.096414|2.573383|3.272334|3.639891|3.217425|3.929505|7.098052|5.848676|5.022667|7.860336|13.800540|36.858105|
|1.830930|2.091424|3.637225|2.231576|2.599220|2.782938|2.472115|2.148138|2.060280|3.233501|3.342640|0.103681|2.970116|0.089165|2.416102|3.020925|3.261848|2.841525|3.318390|5.774471|5.131964|4.409753|6.798051|7.955972|13.735600|36.858105|
|2.081505|2.409585|4.156436|2.548632|3.007366|3.153303|2.728632|2.370756|2.306046|3.587236|3.749316|0.121413|3.156667|0.093343|2.551615|3.130496|3.333699|2.920041|3.385001|5.679799|5.562608|4.955518|7.854503|6.903654|7.957069|13.800532|36.858105|
|2.304614|2.742381|4.823355|3.049851|3.714876|4.007690|3.383903|2.856713|2.743454|4.164259|4.873017|0.160700|3.772893|0.108171|2.942296|3.574582|3.851748|3.463396|4.166566|6.767966|7.472409|7.408865|13.726810|8.017220|6.913489|7.962930|13.733030|36.858105|
|2.829127|3.452760|5.997651|3.743989|4.565302|4.499586|3.674835|3.202728|3.220827|4.848596|4.886108|0.166564|3.602099|0.099379|2.926981|3.497030|3.640935|3.180943|3.609807|5.712262|6.557068|6.024477|6.945499|4.743741|4.225439|4.785743|7.095359|10.860142|448.794386|
|2.846892|3.482681|6.197430|4.025442|4.808369|5.016402|4.256364|3.677963|3.597085|5.339920|5.238887|0.134286|7.172968|0.179033|13.006497|10.745107|7.156763|5.169513|3.832579|5.570404|5.344787|3.091981|2.793636|2.552843|2.283985|2.205767|2.351148|2.650156|21.881414|36.858105|
|3.194510|3.990355|6.627594|4.139094|5.101922|4.839615|3.852974|3.378699|3.464837|5.167116|5.165501|0.147279|6.221874|0.173069|7.677991|7.082485|5.539846|4.317697|3.481740|5.103877|5.137167|3.079762|2.881601|2.594705|2.360617|2.338525|2.538055|2.837656|23.987057|13.564423|36.858105|
|3.350763|3.992894|6.318709|3.674434|4.186624|3.772288|3.148353|2.908516|3.085335|4.796422|3.840178|0.111643|4.298044|0.121437|5.073440|5.362446|4.344523|3.298962|2.785760|4.230718|4.078054|2.567351|2.451575|2.230953|2.076445|2.089938|2.265166|2.470647|21.210005|7.841276|13.892578|36.858105|
|3.083126|3.489802|5.727608|3.282530|3.524599|3.245962|2.862670|2.725187|2.883711|4.620433|3.204012|0.089651|3.625124|0.099802|4.505511|5.130521|4.078799|2.962841|2.490607|3.853070|3.540284|2.246729|2.125151|1.961913|1.829884|1.826027|1.952850|2.116415|18.019729|6.892817|8.040526|13.588672|36.858105|
|2.770253|3.132807|5.431330|3.210607|3.403068|3.272252|2.993927|2.856933|2.944126|4.726272|3.195108|0.085873|3.748346|0.099982|5.040829|6.033867|4.561170|3.168152|2.589453|4.013816|3.579721|2.238053|2.078330|1.933793|1.785662|1.754041|1.856906|2.026294|17.008821|7.849477|6.855759|7.813812|13.863994|36.858105|
|2.675702|3.129000|5.619284|3.507961|3.851385|3.913022|3.590342|3.302441|3.268509|5.075050|3.867400|0.099789|4.867348|0.124417|7.635724|8.959113|6.048312|4.063345|3.136660|4.758741|4.255764|2.564640|2.331366|2.165809|1.964702|1.900405|2.005749|2.222971|18.403279|13.645961|7.898849|6.780491|7.967274|13.551658|36.858105|
|2.360991|2.702537|5.001457|3.141532|3.349045|3.533057|3.453737|3.223230|3.086274|4.885894|3.455826|0.086897|4.324008|0.108472|6.567170|9.658567|6.408507|3.983825|3.061629|4.744467|3.998029|2.420588|2.176903|2.049881|1.853422|1.771318|1.847951|2.044435|16.708551|7.920427|5.207744|4.601562|5.322952|8.190460|14.300752|73.516695|
|2.455477|2.662900|4.684313|2.714812|2.772869|2.687139|2.556326|2.508284|2.578899|4.291391|2.596153|0.069489|2.970122|0.079292|3.804312|4.939205|3.896759|2.653460|2.221131|3.526808|3.025265|1.930752|1.797966|1.691717|1.573336|1.543320|1.620347|1.751440|14.641781|5.013027|4.443758|4.976158|7.547203|12.630214|7.579870|12.390583|36.858105|
|3.519420|4.067675|6.027944|3.346111|3.765753|3.296280|2.745640|2.566779|2.768605|4.381839|3.384214|0.103165|3.552758|0.103363|3.808100|4.198520|3.607135|2.800162|2.479774|3.827378|3.697505|2.417831|2.380778|2.162667|2.054921|2.119280|2.321572|2.479795|21.648453|4.979566|7.548283|12.605413|7.531052|4.998309|4.409317|5.994137|3.772189|36.858105|
|17.575513|8.860013|12.902621|4.884042|4.003316|3.130019|2.882180|3.164927|4.053488|7.478190|2.660985|0.076121|2.445228|0.063929|2.557943|3.114008|2.838205|2.142177|2.027648|3.227363|3.072112|2.158396|2.007917|1.767434|1.643918|1.693862|1.899054|2.095603|20.072493|2.852340|3.129746|3.335382|3.197341|2.908918|2.762181|4.364097|2.626923|3.400019|0.500000|
|17.557394|8.881197|10.240245|4.230112|3.822853|2.987634|2.651154|2.776442|3.392463|5.914742|2.651455|0.078748|2.410076|0.064584|2.445141|2.931980|2.701500|2.081408|1.995202|3.177096|3.065510|2.185836|2.092565|1.834755|1.729874|1.817142|2.064278|2.247269|21.980446|2.719381|3.122524|3.373915|3.077261|2.694662|2.557446|3.982575|2.391109|3.736433|0.300597|0.500000|
|17.575684|8.860716|12.930074|4.842566|3.994624|3.111981|2.854141|3.121911|3.989320|7.328714|2.651327|0.077106|2.345549|0.061608|2.353822|2.874505|2.696749|2.073416|2.022734|3.241369|3.121617|2.267936|2.126040|1.846547|1.721459|1.796038|2.047080|2.265084|22.561323|2.522914|2.772801|2.844967|2.636534|2.420157|2.372620|3.796331|2.178024|2.967239|0.300653|0.300677|0.500000|
|8.851083|17.551244|16.544833|7.012155|6.695363|4.537470|3.719262|3.770898|4.733392|7.368060|3.838176|0.118159|3.200120|0.084043|3.081243|3.579928|3.353546|2.677291|2.613197|4.054947|4.240268|3.045893|2.854822|2.385512|2.191505|2.306785|2.718500|3.113955|33.193728|3.288278|3.827609|3.741383|3.177653|2.844707|2.882967|4.445183|2.414554|3.946948|0.173392|0.212803|0.212145|0.500000|
|8.834896|17.555883|16.562204|7.170614|6.758525|4.604376|3.790388|3.857032|4.856767|7.539603|3.872972|0.114812|3.472109|0.090302|3.592416|4.083041|3.642371|2.833687|2.626641|4.031506|4.123348|2.797649|2.587946|2.222961|2.038442|2.101673|2.397809|2.713338|26.500793|4.145747|4.983554|5.140829|4.342015|3.753473|3.685458|5.450172|3.077581|5.179481|0.212079|0.211999|0.173248|0.300649|0.500000|
|4.652979|7.362666|12.498397|8.958330|17.754688|8.907636|5.662900|4.965444|5.643580|7.519956|7.099647|0.228050|5.243896|0.130829|4.740254|5.094610|4.735399|3.969130|3.769040|5.488647|6.533511|4.292878|3.804134|3.064856|2.693004|2.748497|3.236777|3.949945|40.222089|4.824647|5.688673|4.717062|3.747486|3.448630|3.787543|5.674173|2.765773|4.447285|0.114068|0.117373|0.114880|0.227104|0.221496|0.500000|
|2.549033|3.121573|6.522713|4.958893|5.641961|8.894307|17.742273|8.971602|5.670190|7.564144|6.870207|0.140685|5.692781|0.121144|5.084981|7.028700|8.257741|6.499596|6.711020|9.669054|9.509232|5.536363|3.886681|3.339275|2.704218|2.488660|2.683879|3.306622|27.229485|3.937036|3.475279|2.847968|2.623390|2.783756|3.372235|5.967834|2.414512|2.487749|0.068977|0.064176|0.068350|0.086123|0.087547|0.124073|0.500000|
|2.819760|3.334913|7.650463|5.662374|4.964329|5.629823|8.865581|17.739769|9.015543|13.164236|4.060698|0.096610|3.555460|0.082489|3.590059|4.936198|5.052889|3.649819|3.599734|5.747916|5.191130|3.520440|2.774489|2.421555|2.074084|1.979501|2.152839|2.551416|22.422708|3.203802|2.908217|2.553003|2.446139|2.598879|2.978955|5.345060|2.346408|2.266000|0.078470|0.068490|0.077335|0.087790|0.089652|0.107768|0.215555|0.500000|
|4.942562|5.510207|15.934867|7.985762|5.073676|4.198739|4.448503|6.067972|10.112403|35.673421|3.160388|0.083983|2.776391|0.068540|2.870264|3.649860|3.447974|2.565209|2.479025|3.952087|3.749781|2.646173|2.290506|1.985695|1.779809|1.779120|1.983936|2.281625|21.655552|2.916303|2.897128|2.753718|2.651371|2.659534|2.784323|4.684199|2.417422|2.559009|0.143828|0.107267|0.140576|0.129062|0.131910|0.118729|0.101375|0.151378|0.500000|
|2.097900|2.490803|4.757383|3.214193|3.798997|4.854402|4.803395|3.755390|3.200056|4.760007|5.646656|0.140909|4.363453|0.111165|3.361856|4.403391|5.289883|4.859061|7.543631|13.674184|12.659026|17.640672|8.941120|7.137774|4.748821|4.002839|4.241903|5.712802|37.766018|2.775401|2.703589|2.288861|2.045859|2.064319|2.362734|4.053070|1.810269|2.147343|0.054874|0.054916|0.057488|0.073768|0.068544|0.098340|0.150144|0.096278|0.068844|0.500000|
|2.561936|3.154134|6.067160|4.224084|5.253769|6.629624|5.863612|4.520916|4.000151|5.710195|7.119038|0.189487|4.636424|0.116037|3.570080|4.425975|4.956705|4.515626|5.892671|9.041239|12.545474|17.656701|8.813383|5.618204|4.171951|3.928696|4.648985|6.995941|57.038468|3.041626|3.069020|2.589371|2.265083|2.241447|2.540970|4.237538|1.935443|2.456851|0.065615|0.066338|0.070369|0.096240|0.085136|0.134847|0.159787|0.108610|0.083204|0.303327|0.500000|
|1.794012|2.082602|3.803817|2.453095|2.887206|3.432014|3.214421|2.642393|2.370279|3.643153|4.339759|0.118048|3.932272|0.112306|3.030100|3.969798|4.715613|4.329234|6.127715|12.351086|8.361931|7.166383|8.951220|17.720331|8.936944|5.653669|4.968131|5.689385|31.407980|2.547280|2.521408|2.158442|1.923651|1.924574|2.178190|3.723350|1.693856|2.057574|0.047082|0.048162|0.048664|0.061688|0.058593|0.079506|0.097107|0.068558|0.053994|0.213453|0.143827|0.500000|
|1.607466|1.823168|3.232524|2.004692|2.308032|2.558332|2.357522|2.035432|1.903407|3.001857|3.094807|0.090031|2.914851|0.087437|2.383432|3.081845|3.437770|2.976051|3.564692|6.653509|5.019483|4.110118|5.616270|8.941510|17.725536|8.899697|5.652807|4.973674|27.391502|2.121624|2.170273|1.925064|1.716599|1.685053|1.849392|3.130691|1.498055|1.899403|0.042028|0.043994|0.043683|0.054420|0.051330|0.065848|0.068286|0.053046|0.045361|0.112617|0.096364|0.215724|0.500000|
|1.708329|1.922942|3.319785|2.007380|2.300744|2.424191|2.175025|1.921033|1.857892|2.951787|2.847311|0.087601|2.598948|0.078272|2.170915|2.730385|2.915941|2.488530|2.826832|4.958247|4.254104|3.531224|4.913501|5.649732|8.889390|17.723923|8.950087|5.659500|31.773953|2.013060|2.140231|1.944665|1.711179|1.638598|1.756579|2.916241|1.452805|1.992733|0.044011|0.047453|0.046603|0.058658|0.053726|0.067761|0.060687|0.049516|0.045342|0.091060|0.089585|0.124148|0.213840|0.500000|
|2.121682|2.427332|4.113887|2.466766|2.864177|2.899100|2.509858|2.228220|2.210911|3.478043|3.326363|0.108343|2.832915|0.083528|2.355164|2.880896|3.011717|2.586845|2.904544|4.857959|4.711391|4.051774|5.622425|4.970572|5.647711|8.906712|17.749473|8.935367|54.921746|2.221932|2.433564|2.216574|1.910153|1.796975|1.913064|3.118255|1.573457|2.321393|0.053350|0.059087|0.058191|0.076946|0.066671|0.086962|0.067619|0.056245|0.053997|0.097827|0.110737|0.107827|0.124036|0.214904|0.500000|
|3.206881|4.105100|6.720558|4.264814|5.645514|5.383334|4.026920|3.418827|3.483003|5.110129|6.269287|0.195226|7.143794|0.212108|7.140109|6.579313|5.534280|4.608332|3.836479|5.524614|5.927235|3.528723|3.356285|2.964540|2.684372|2.680765|2.955730|3.344700|28.270688|8.899167|17.713916|9.009921|5.687862|4.942823|5.634988|7.466204|3.552602|7.005316|0.084674|0.087522|0.078219|0.114839|0.138879|0.187951|0.100592|0.080813|0.079468|0.083661|0.097225|0.078601|0.067497|0.067377|0.078320|0.500000|
|3.020670|3.271138|5.282041|2.931321|3.064692|2.796634|2.503885|2.427186|2.595555|4.262179|2.745894|0.077577|3.020563|0.083864|3.590718|4.242276|3.490597|2.538840|2.187717|3.436729|3.109542|2.016078|1.927071|1.788140|1.685879|1.694608|1.809375|1.937845|16.563921|4.959722|5.697773|8.904355|17.684753|9.023267|5.663378|7.636875|7.028824|7.029875|0.088060|0.085501|0.071677|0.082604|0.111110|0.090754|0.064029|0.061246|0.068737|0.051325|0.056674|0.048578|0.044111|0.044480|0.049611|0.124879|0.500000|
|2.274049|2.629608|4.937982|3.182114|3.450686|3.811025|3.803042|3.447150|3.179540|4.953823|3.781546|0.092299|4.915438|0.119382|7.838590|13.866641|8.202063|4.746606|3.492940|5.372575|4.430610|2.625069|2.326497|2.198303|1.964403|1.854914|1.926227|2.147668|17.331349|7.729317|4.945089|4.136715|4.444919|6.046857|10.028044|35.343844|5.162140|3.121423|0.064967|0.059660|0.057726|0.068433|0.081638|0.089825|0.105503|0.089704|0.073045|0.069091|0.071040|0.063081|0.051873|0.047439|0.050318|0.115918|0.101313|0.500000|
|2.488516|2.682722|4.841191|2.808206|2.794841|2.711237|2.642858|2.652061|2.731467|4.612367|2.551110|0.067432|2.868444|0.074941|3.665622|4.893348|3.889430|2.613025|2.200087|3.506422|2.990735|1.916023|1.763346|1.652957|1.528566|1.495408|1.573150|1.710614|14.384210|4.605393|3.984797|4.270464|5.879305|8.857772|6.761241|12.458539|17.567078|3.329426|0.075037|0.066240|0.061664|0.066789|0.084928|0.075769|0.069201|0.069642|0.071860|0.050208|0.053701|0.046135|0.040399|0.039016|0.042381|0.090672|0.152513|0.145625|0.500000|
|2.168276|2.349572|4.154164|2.434083|2.514345|2.495268|2.394958|2.323083|2.340327|3.891510|2.461902|0.065588|2.868861|0.077414|3.661283|4.922741|3.901894|2.620228|2.183223|3.497312|2.922389|1.861774|1.741309|1.658174|1.546645|1.507636|1.567134|1.684515|13.868106|4.601313|3.984051|4.274693|5.885811|8.858174|6.762634|12.483531|17.567353|3.337281|0.063676|0.058855|0.054151|0.060176|0.074193|0.069535|0.064006|0.060996|0.060352|0.048828|0.051317|0.046416|0.041188|0.039529|0.042119|0.090691|0.152808|0.146436|0.303505|0.500000|
|2.458087|2.601415|4.485619|2.534341|2.564231|2.440470|2.307828|2.284086|2.385110|4.024107|2.359523|0.064200|2.636695|0.071376|3.235894|4.150584|3.387948|2.351645|2.011667|3.216416|2.766786|1.793337|1.688287|1.589233|1.491120|1.474768|1.550860|1.662742|13.981246|4.167397|3.981213|4.729132|7.250932|8.878449|5.579160|8.906341|17.578892|3.810645|0.073527|0.067458|0.060338|0.065455|0.083416|0.072051|0.060327|0.059430|0.063820|0.046677|0.050143|0.043943|0.039468|0.038779|0.042152|0.090572|0.224233|0.111254|0.300782|0.300786|0.500000|
|4.075994|4.528021|6.434759|3.407550|3.667058|3.112160|2.635426|2.531664|2.801000|4.518921|3.069521|0.092687|3.119542|0.088356|3.342996|3.785281|3.285218|2.526251|2.272065|3.539538|3.397174|2.262695|2.214283|2.001532|1.903380|1.972592|2.173555|2.322245|20.738320|4.252993|5.839968|8.820864|6.734942|4.594262|3.947088|5.527387|3.644684|17.538282|0.110152|0.124184|0.092688|0.118538|0.163475|0.119257|0.065755|0.062263|0.074648|0.056179|0.064806|0.052896|0.048892|0.051694|0.060930|0.150826|0.193793|0.079560|0.091366|0.087845|0.105219|0.500000|
|2.992956|3.325186|5.056768|2.812819|3.123857|2.827765|2.411009|2.256713|2.397840|3.850701|2.956773|0.089370|3.163339|0.093927|3.378777|3.834746|3.325220|2.562055|2.278938|3.566409|3.337964|2.199080|2.196156|2.033107|1.959273|2.021992|2.181261|2.284077|19.482855|4.292913|5.918477|8.827329|6.641825|4.574165|3.962638|5.548889|3.619073|17.540045|0.081037|0.088935|0.071724|0.090568|0.111745|0.099672|0.061805|0.056203|0.062173|0.054818|0.061382|0.053889|0.050816|0.053424|0.060771|0.153825|0.188121|0.080138|0.087063|0.091291|0.103928|0.302506|0.500000|
|3.565719|4.259392|6.208860|3.487205|4.078826|3.541982|2.866237|2.633633|2.830780|4.415148|3.738532|0.119312|3.794554|0.112710|3.830357|4.167652|3.671686|2.931844|2.645066|4.056141|4.040192|2.661691|2.665328|2.391242|2.278341|2.381462|2.650598|2.831847|24.976168|4.712630|7.217370|8.835125|5.554714|4.148464|3.940665|5.501373|3.206480|17.566745|0.092307|0.105470|0.084544|0.120957|0.147427|0.140688|0.071917|0.064022|0.071426|0.064640|0.075221|0.062277|0.057846|0.061897|0.074043|0.221975|0.140732|0.081834|0.080597|0.080565|0.088284|0.301791|0.302199|0.500000|
1995.664159
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