Version2.1
2020-12-28T11:02:34Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
12-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCCN([C@H](c1ccc2c(c1)OCO2)C(=O)NC3CCCCC3)C(=O)c4c(cccc4O)O C36571179
RHF
6-31G(d)
(6D,7F)
CCCN([C@H](c1ccc2c(c1)OCO2)C(=O)NC3CCCCC3)C(=O)c4c(cccc4O)O
C01[X(C25H30N2O6)]
183
C1
555
CCCN(C(=O)c1c(O)cccc1O)[C@H](c1ccc2c(c1)OCO2)C(=O)NC1CCCCC1
CCCN(C(=O)c1c(O)cccc1O)[C@H](c1ccc2c(c1)OCO2)C(=O)NC1CCCCC1
CCCN([C@@H](C(=O)NC1CCCCC1)c2ccc3OCOc3c2)C(=O)c4c(O)cccc4O
InChIKey=WORSWADJVXOFAT-HSZRJFAPSA-N
InChI=1S/C25H30N2O6/c1-2-13-27(25(31)22-18(28)9-6-10-19(22)29)23(24(30)26-17-7-4-3-5-8-17)16-11-12-20-21(14-16)33-15-32-20/h6,9-12,14,17,23,28-29H,2-5,7-8,13,15H2,1H3,(H,26,30)/t23-/m1/s1
InChI=1/C25H30N2O6/c1-2-13-27(25(31)22-18(28)9-6-10-19(22)29)23(24(30)26-17-7-4-3-5-8-17)16-11-12-20-21(14-16)33-15-32-20/h6,9-12,14,17,23,28-29H,2-5,7-8,13,15H2,1H3,(H,26,30)/t23-/m1/s1/f/h26H
CCCN([C@H](c1ccc2c(c1)OCO2)C(=O)NC3CCCCC3)C(=O)c4c(cccc4O)O
C01[X(C25H30N2O6)]
183
C01
555
CCCN(C(=O)c1c(O)cccc1O)[C@H](c1ccc2c(c1)OCO2)C(=O)NC1CCCCC1
CCCN(C(=O)[C]1[C]([CH][CH][CH][C]1O)O)[C@H]([C]1[CH][CH][C]2[C]([CH]1)OCO2)[C]([NH]C1CCCCC1)=O
CCCN([C@H]([C]1[CH][CH][C]2OCO[C]2[CH]1)C(=O)NC3CCCCC3)C(=O)[C]4[C](O)[CH][CH][CH][C]4O
InChIKey=WORSWADJVXOFAT-HSZRJFAPSA-N
InChI=1S/C25H30N2O6/c1-2-13-27(25(31)22-18(28)9-6-10-19(22)29)23(24(30)26-17-7-4-3-5-8-17)16-11-12-20-21(14-16)33-15-32-20/h6,9-12,14,17,23,28-29H,2-5,7-8,13,15H2,1H3,(H,26,30)/t23-/m1/s1
InChI=1/C25H30N2O6/c1-2-13-27(25(31)22-18(28)9-6-10-19(22)29)23(24(30)26-17-7-4-3-5-8-17)16-11-12-20-21(14-16)33-15-32-20/h6,9-12,14,17,23,28-29H,2-5,7-8,13,15H2,1H3,(H,26,30)/t23-/m1/s1/f/h26H
3550.4657055735
-1522.2623388
1-A
16451.8503
121
434
555
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11.48855
1.1774 -2.7241 -0.7548
3.0621
|XX|YY|ZZ|XY|XZ|YZ|
-172.7745 -182.1882 -202.5565 -9.4670 -0.1143 7.8246
|XX|YY|ZZ|XY|XZ|YZ|
13.0652 3.6515 -16.7167 -9.4670 -0.1143 7.8246
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-67.6458 -137.1039 -6.5547 55.1442 -5.1810 24.9420 -11.1891 20.5162 7.5477 -0.6188
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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454.21039
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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183
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16.4858 20.8587 24.1620 27.9771 37.0337 50.2123 56.8776 59.9616 63.1530 77.0809 80.8476 93.8614 111.8928 125.9306 138.3107 164.4835 182.1139 190.2120 205.0701 229.1595 238.1104 244.1137 254.0294 256.6970 262.7896 271.4558 305.6066 313.2993 335.5962 343.9652 365.8645 389.5303 393.9254 401.7425 450.1841 464.2935 470.2895 473.2839 480.4518 485.8050 496.8224 507.7716 532.5573 552.7613 577.4583 582.9987 618.8791 634.8924 644.5465 659.7353 694.0747 698.4693 724.2432 769.2831 792.7503 798.4237 804.4145 804.9026 820.7716 837.5900 853.2655 862.4411 866.0992 884.0647 898.5972 902.1594 912.8111 917.0603 951.4730 956.6038 962.6200 966.8409 968.6530 981.2957 996.0309 1004.6477 1010.1427 1043.9249 1063.4763 1093.0824 1099.3386 1101.5080 1113.0956 1115.3400 1120.9000 1134.6775 1145.9332 1161.6336 1173.8890 1180.9853 1196.9669 1203.9641 1211.2283 1213.9364 1220.6245 1224.2296 1225.7002 1262.5956 1286.1646 1287.8176 1294.4219 1313.0860 1321.6172 1323.0514 1333.0072 1344.4263 1346.6496 1356.8871 1380.8522 1391.7205 1402.7172 1408.8357 1410.8521 1426.7759 1450.2718 1461.9662 1466.6022 1470.3955 1472.9966 1476.7168 1480.8362 1503.0436 1504.8124 1524.2801 1526.7359 1533.1600 1546.7025 1555.5945 1564.2597 1569.0861 1575.0263 1588.2744 1621.4694 1629.1405 1635.5000 1639.4140 1640.7056 1641.5672 1642.4118 1644.5362 1652.8390 1658.9432 1663.2934 1671.6574 1676.7200 1714.2527 1739.8752 1791.9873 1817.9676 1824.7498 1829.7217 1905.1516 1928.9093 3178.3682 3184.5987 3187.2010 3189.4750 3192.4918 3198.6229 3231.4313 3232.5888 3234.8011 3238.9393 3241.5289 3251.8790 3252.5430 3253.6284 3269.0656 3277.0105 3280.3697 3295.7319 3330.1883 3332.8124 3333.0812 3354.6905 3375.4053 3379.2911 3399.4936 3406.0978 3451.1091 3831.3953 4084.4099 4115.8445
4.3711 4.5659 3.8371 4.9208 5.6580 4.8294 3.5136 4.7874 4.5357 2.5268 3.2805 5.7357 2.7297 3.8388 4.4708 6.8260 6.9445 5.8189 6.2436 4.1336 2.8475 1.8669 3.2472 1.5260 4.4656 4.5812 4.9016 2.5536 1.6290 4.0104 1.9771 3.4137 6.0385 4.4951 4.9502 2.9639 4.2426 3.2380 3.9777 2.8456 2.2453 1.4805 3.9711 3.7904 6.4770 2.5488 4.9609 4.5241 5.2210 1.8269 2.4801 3.8414 4.7341 5.3413 5.0686 2.5667 3.0815 1.5749 5.3958 3.6809 2.3374 1.5499 2.8915 3.9618 5.5358 5.6532 2.3728 2.4232 1.5169 1.4668 2.1535 1.8668 1.6803 1.8638 2.0877 1.7213 1.4948 3.4533 2.4741 2.7543 1.5033 1.3076 2.2752 2.0629 3.6439 7.4528 1.4292 2.7973 1.2606 5.3226 2.9755 2.1225 1.9741 2.6568 2.8497 1.9212 2.1442 1.5315 2.2362 2.2568 2.3160 1.5692 3.2316 1.4412 1.7489 1.3993 1.3755 1.8337 1.9103 1.3462 1.2535 1.6369 1.2553 1.4499 1.6881 1.3028 2.1574 1.7570 1.5356 1.3145 2.1058 1.3972 1.3997 1.4284 1.4931 1.5641 1.7665 1.6533 1.2404 1.6820 1.5623 1.3713 2.3813 1.0885 1.0975 1.3233 1.7705 1.1343 1.0954 1.0470 1.1168 1.1054 1.1029 2.8424 3.2478 1.1371 1.8277 5.8747 7.1090 6.3916 7.0141 12.4377 8.0094 1.0716 1.0711 1.0687 1.0661 1.0670 1.0370 1.0937 1.0975 1.0708 1.0994 1.0966 1.0629 1.0982 1.0961 1.0991 1.0684 1.0893 1.0958 1.1039 1.1102 1.0859 1.0902 1.0931 1.0935 1.0936 1.0959 1.0930 1.0793 1.0667 1.0668
0.0007 0.0012 0.0013 0.0023 0.0046 0.0072 0.0067 0.0101 0.0107 0.0088 0.0126 0.0298 0.0201 0.0359 0.0504 0.1088 0.1357 0.1240 0.1547 0.1279 0.0951 0.0655 0.1235 0.0592 0.1817 0.1989 0.2697 0.1477 0.1081 0.2796 0.1559 0.3052 0.5521 0.4275 0.5911 0.3764 0.5529 0.4273 0.5410 0.3957 0.3265 0.2249 0.6636 0.6824 1.2725 0.5104 1.1195 1.0744 1.2779 0.4685 0.7039 1.1042 1.4630 1.8624 1.8768 0.9640 1.1748 0.6012 2.1417 1.5215 1.0026 0.6792 1.2779 1.8244 2.6337 2.7109 1.1649 1.2007 0.8091 0.7908 1.1757 1.0281 0.9289 1.0574 1.2203 1.0236 0.8986 2.2173 1.6486 1.9390 1.0704 0.9348 1.6609 1.5120 2.6974 5.6535 1.1058 2.2240 1.0235 4.3739 2.5118 1.8127 1.7064 2.3068 2.5016 1.6965 1.8980 1.4384 2.1794 2.2052 2.2863 1.5941 3.3257 1.4864 1.8310 1.4901 1.4697 1.9891 2.1461 1.5363 1.4531 1.9142 1.4722 1.7390 2.0919 1.6406 2.7341 2.2381 1.9630 1.6890 2.7207 1.8598 1.8674 1.9554 2.0505 2.1661 2.4899 2.3573 1.7883 2.4399 2.2834 2.0381 3.6888 1.7021 1.7297 2.0955 2.8080 1.8009 1.7410 1.6683 1.7976 1.7925 1.7977 4.6798 5.3797 1.9689 3.2598 11.1149 13.8430 12.5391 13.8353 26.5981 17.5578 6.3783 6.4002 6.3964 6.3895 6.4070 6.2508 6.7290 6.7573 6.6018 6.7951 6.7887 6.6222 6.8450 6.8366 6.9204 6.7598 6.9065 7.0129 7.2132 7.2653 7.1078 7.2288 7.3377 7.3571 7.4459 7.4906 7.6696 9.3348 10.4850 10.6475
0.3953 0.1607 0.1082 0.4334 1.3211 1.2587 0.1035 0.5633 1.2327 8.9373 2.0155 1.6382 2.0823 6.7761 4.2683 3.5484 0.9979 1.2244 0.3884 0.2722 2.7805 0.5128 2.1346 1.3261 0.0277 3.1208 20.0779 32.6708 77.6496 7.7451 1.4350 2.5563 6.8210 10.4440 10.0315 14.2283 14.4844 3.0280 8.0560 14.1668 2.9091 52.0632 16.5908 10.3058 1.3993 22.6161 12.0866 20.1993 20.8618 108.5923 16.1831 2.6521 29.2345 5.6644 8.6384 4.7012 19.8479 15.0727 3.2534 18.5971 25.6475 5.2187 23.9543 21.7609 43.6640 13.0419 7.1035 1.5045 38.6754 1.5834 12.6626 8.0977 8.9586 3.6885 16.0565 30.3450 1.5906 2.6599 3.6698 1.4505 2.6348 0.7961 0.6667 0.9806 42.8839 58.5144 1.0807 77.7984 0.6017 66.7529 25.7493 7.1807 137.1288 13.5922 87.5883 8.0412 33.3192 21.8203 109.9744 10.9171 40.9641 14.7511 52.3554 0.5803 34.3226 116.0150 116.4534 224.7517 17.9972 21.8563 3.9812 182.1233 4.3520 4.9230 61.4511 18.2998 136.0525 43.4593 40.1312 15.8474 29.9757 43.9223 1.6965 0.4208 8.6689 0.4406 97.1264 65.1394 3.3932 57.6623 59.3791 4.4668 47.7590 0.8214 2.6863 38.7738 101.6773 22.8278 6.5707 5.6828 16.7543 1.0062 6.9592 3.1951 428.4531 0.4261 449.8786 153.8912 5.9591 207.0717 0.3456 298.3117 363.9627 17.3422 23.0722 12.4984 22.7358 45.3919 36.2737 96.3178 81.7829 5.9792 65.3792 50.4284 132.6375 32.9928 30.4635 38.7103 26.3753 33.0405 22.4267 33.3254 62.9634 1.8815 11.2167 4.9721 19.6581 6.6085 6.8500 4.5824 74.0578 225.1762 106.5019
0.3109 0.6860 1.2951 1.7222 1.6345 2.4388 1.0995 0.4909 2.7201 0.5684 1.4889 1.8193 1.0214 0.5749 0.8133 1.0905 0.2214 2.8154 0.7575 0.3564 0.7352 0.0462 0.2424 0.2978 2.5834 2.2656 0.5232 2.0825 1.2884 0.9510 0.1216 1.0577 4.3372 1.1510 1.3775 1.0598 0.7358 1.2988 1.9640 0.4309 0.4752 1.5357 2.0880 0.6278 4.6137 1.0376 1.8518 11.6346 4.4708 1.7779 2.1239 0.6570 3.8103 6.8768 3.5018 1.9053 1.4647 3.3835 3.9287 7.8619 1.8666 1.8404 1.9646 23.3039 2.2351 13.9730 5.8216 1.4478 1.5611 1.3659 5.5100 1.9794 1.3129 2.3319 1.2212 1.7587 0.6511 6.6157 0.9894 5.4175 3.9378 0.3531 20.2622 5.0138 0.3111 0.8499 7.2539 14.5415 0.6334 0.2703 5.8979 2.2259 2.2511 14.0557 1.5904 1.2307 3.5550 1.0948 2.1051 3.1018 3.0040 1.3484 9.9343 6.0588 2.2340 3.0735 4.8064 3.4385 2.9902 7.7171 7.1028 2.6281 21.0475 2.4398 8.9812 5.2061 12.0557 13.8225 1.5358 3.9731 13.3752 6.0153 2.4674 0.4062 1.3805 4.5062 9.2640 9.8392 1.2185 13.7529 3.0124 13.7872 9.8155 29.2416 22.7512 6.6245 0.6496 16.3991 1.0325 15.3438 6.2890 1.3293 4.8291 1.2168 1.5029 26.6953 2.8223 12.2518 5.4687 23.1615 24.9155 20.1615 1.2018 20.2529 75.7779 70.3994 90.3821 57.7884 78.0434 132.5684 114.2587 64.3488 143.3232 68.3483 174.9980 49.1543 93.9336 82.9907 67.2867 39.2886 41.0157 40.6764 156.1594 17.0739 78.3502 48.7728 141.4343 114.2388 152.7160 56.9161 33.0820 92.8704 84.9255
0.7121 0.7495 0.7500 0.7498 0.7496 0.6925 0.6616 0.6848 0.7452 0.6521 0.6893 0.7398 0.7291 0.6547 0.5846 0.6228 0.3895 0.1728 0.6028 0.2854 0.4786 0.6405 0.7473 0.5973 0.7454 0.7155 0.7322 0.7242 0.7158 0.3301 0.5596 0.4114 0.7385 0.7382 0.6943 0.6702 0.2681 0.5180 0.6061 0.0709 0.1982 0.2637 0.5326 0.6696 0.7237 0.6667 0.5037 0.2498 0.1621 0.7307 0.5670 0.2678 0.1467 0.1480 0.2166 0.0306 0.6277 0.2513 0.2660 0.1644 0.5511 0.5685 0.6539 0.0270 0.1551 0.1970 0.0800 0.6221 0.6782 0.7500 0.2015 0.7056 0.7495 0.5689 0.1086 0.6558 0.7496 0.1687 0.1772 0.3675 0.3831 0.6236 0.7382 0.5568 0.7299 0.5486 0.7276 0.1561 0.6700 0.7129 0.2232 0.4243 0.5484 0.4719 0.1798 0.7427 0.1198 0.7455 0.1454 0.0342 0.6940 0.4307 0.4039 0.6132 0.5740 0.7194 0.7395 0.3112 0.2053 0.7498 0.7432 0.4297 0.7400 0.4768 0.4605 0.7133 0.3782 0.1735 0.4738 0.7495 0.1924 0.6370 0.6652 0.7304 0.6770 0.7378 0.4536 0.6859 0.4498 0.4929 0.5572 0.7221 0.4162 0.7414 0.7443 0.7409 0.7480 0.7348 0.4877 0.7492 0.4741 0.6438 0.5779 0.7475 0.3751 0.4843 0.7392 0.7435 0.5487 0.6143 0.6232 0.1377 0.5536 0.2681 0.2592 0.3237 0.3000 0.2905 0.0028 0.2623 0.4815 0.3140 0.2832 0.3985 0.1445 0.7417 0.5137 0.3907 0.1716 0.0459 0.6934 0.3653 0.5210 0.1650 0.4833 0.2465 0.3318 0.3509 0.1903 0.1792 0.1388 0.2566 0.2957
0.8319 0.8568 0.8571 0.8570 0.8569 0.8183 0.7964 0.8129 0.8540 0.7895 0.8161 0.8504 0.8433 0.7913 0.7379 0.7676 0.5606 0.2947 0.7522 0.4441 0.6474 0.7808 0.8553 0.7479 0.8542 0.8341 0.8454 0.8400 0.8343 0.4963 0.7176 0.5829 0.8496 0.8494 0.8196 0.8025 0.4228 0.6825 0.7548 0.1324 0.3308 0.4173 0.6950 0.8021 0.8397 0.8000 0.6700 0.3997 0.2790 0.8444 0.7236 0.4224 0.2559 0.2578 0.3560 0.0593 0.7713 0.4017 0.4202 0.2824 0.7106 0.7249 0.7908 0.0525 0.2685 0.3292 0.1481 0.7670 0.8082 0.8571 0.3354 0.8274 0.8568 0.7252 0.1960 0.7922 0.8569 0.2887 0.3010 0.5374 0.5540 0.7682 0.8494 0.7153 0.8439 0.7085 0.8423 0.2700 0.8024 0.8324 0.3650 0.5958 0.7084 0.6412 0.3048 0.8524 0.2140 0.8542 0.2539 0.0661 0.8194 0.6021 0.5754 0.7602 0.7294 0.8368 0.8503 0.4747 0.3406 0.8570 0.8527 0.6011 0.8506 0.6457 0.6306 0.8327 0.5488 0.2958 0.6429 0.8568 0.3227 0.7782 0.7989 0.8442 0.8074 0.8491 0.6241 0.8137 0.6205 0.6603 0.7156 0.8386 0.5878 0.8515 0.8534 0.8512 0.8559 0.8471 0.6556 0.8566 0.6432 0.7833 0.7325 0.8555 0.5456 0.6526 0.8501 0.8529 0.7086 0.7611 0.7678 0.2420 0.7127 0.4229 0.4117 0.4890 0.4615 0.4502 0.0057 0.4156 0.6500 0.4779 0.4413 0.5699 0.2525 0.8517 0.6787 0.5618 0.2929 0.0878 0.8190 0.5351 0.6851 0.2833 0.6517 0.3955 0.4983 0.5195 0.3197 0.3040 0.2437 0.4084 0.4564
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
6 6 6 7 6 1 6 6 6 6 6 6 8 6 8 6 8 7 6 6 6 6 6 6 6 8 6 6 6 6 6 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
13061.2260 18552.4000 27041.4409
0.99881 0.04863 0.00198 -0.04865 0.99873 0.01273 -0.00136 -0.01281 0.99992
1
0.00663 0.00467 0.00320
0.13818 0.09728 0.06674
23.72 30.01 34.76 40.25 53.28 72.24 81.83 86.27 90.86 110.90 116.32 135.05 160.99 181.19 199.00 236.66 262.02 273.67 295.05 329.71 342.59 351.23 365.49 369.33 378.10 390.56 439.70 450.77 482.85 494.89 526.40 560.45 566.77 578.02 647.71 668.01 676.64 680.95 691.26 698.96 714.82 730.57 766.23 795.30 830.83 838.81 890.43 913.47 927.36 949.21 998.62 1004.94 1042.02 1106.83 1140.59 1148.75 1157.37 1158.08 1180.91 1205.11 1227.66 1240.86 1246.12 1271.97 1292.88 1298.01 1313.33 1319.45 1368.96 1376.34 1385.00 1391.07 1393.68 1411.87 1433.07 1445.46 1453.37 1501.98 1530.11 1572.70 1581.70 1584.82 1601.50 1604.73 1612.73 1632.55 1648.74 1671.33 1688.96 1699.17 1722.17 1732.24 1742.69 1746.58 1756.21 1761.39 1763.51 1816.59 1850.50 1852.88 1862.38 1889.24 1901.51 1903.58 1917.90 1934.33 1937.53 1952.26 1986.74 2002.38 2018.20 2027.00 2029.90 2052.81 2086.62 2103.44 2110.11 2115.57 2119.31 2124.67 2130.59 2162.54 2165.09 2193.10 2196.63 2205.88 2225.36 2238.15 2250.62 2257.56 2266.11 2285.17 2332.93 2343.97 2353.12 2358.75 2360.61 2361.85 2363.06 2366.12 2378.07 2386.85 2393.11 2405.14 2412.43 2466.43 2503.29 2578.27 2615.65 2625.41 2632.56 2741.09 2775.27 4572.96 4581.93 4585.67 4588.94 4593.28 4602.10 4649.31 4650.97 4654.16 4660.11 4663.84 4678.73 4679.68 4681.25 4703.46 4714.89 4719.72 4741.82 4791.40 4795.17 4795.56 4826.65 4856.46 4862.05 4891.11 4900.62 4965.38 5512.52 5876.55 5921.78
0.565820
0.594926
0.595870
0.502190
-1521.696518
-1521.667413
-1521.666469
-1521.760149
3.142043D-04
MUNgauss
RevisionA2.0
retrievium
28-Dec-2020
DUDE CCCN([C@H](c1ccc2c(c1)OCO2)C(=O)NC3CCCCC3)C(=O)c4c(cccc4O)O C36571179
RHF
6-31G(d)
(6D,10F)
C1
454.210387
|X|Y|Z|
77.195204 94.922441 38.503227
65.587154
26
|36.858105|
|12.459861|36.858105|
|7.557057|12.452237|36.858105|
|4.931930|7.517942|12.936155|53.358707|
|3.980927|5.500907|7.476923|17.548428|36.858105|
|3.337021|4.416502|5.619859|12.745711|17.705184|0.500000|
|3.620330|4.487358|6.205336|10.439527|12.491375|0.252595|36.858105|
|3.619082|4.208565|5.329792|7.470073|7.379804|0.158857|13.777137|36.858105|
|3.067471|3.347458|4.094636|5.557844|4.928099|0.118092|7.831378|13.568414|36.858105|
|2.726031|2.969102|3.696044|5.193105|4.452877|0.113596|6.912822|8.058744|13.984620|36.858105|
|2.724666|3.059929|3.952018|5.939051|5.098279|0.136718|8.016001|6.972208|7.953544|13.776884|36.858105|
|3.060872|3.629200|4.932199|8.253976|7.676855|0.208356|13.497794|7.889352|6.767020|7.938820|13.990577|36.858105|
|2.344324|2.573391|3.209697|4.759933|3.861869|0.108051|5.171506|4.678023|5.406443|8.535255|14.041072|7.766484|73.516695|
|2.192529|2.336150|2.827695|4.003528|3.204502|0.087272|4.201327|4.216160|5.359616|8.596379|8.598310|5.363704|24.047240|36.858105|
|2.346491|2.485963|2.987308|4.136472|3.396674|0.089424|4.653180|5.185434|7.751619|14.047724|8.539376|5.404926|14.917497|13.526158|73.516695|
|3.986015|5.535668|5.987411|10.470459|12.384040|0.250767|7.293475|6.186529|4.265369|3.654661|3.845754|4.976368|5.442821|2.677925|5.162266|36.858105|
|4.241820|5.576740|5.563627|8.068242|7.867562|0.165180|6.313623|6.504167|4.475540|3.619204|3.583105|4.332786|5.089690|2.592303|5.143596|15.796616|73.516695|
|3.391910|4.562001|4.636833|8.192326|7.915065|0.218455|5.158547|4.398081|3.351617|3.011527|3.223138|4.057958|4.779342|2.352961|4.425571|14.174049|15.068870|53.358707|
|3.083877|3.924443|3.685587|5.834221|5.015209|0.136656|3.809570|3.520596|2.823460|2.528879|2.628022|3.129063|4.006431|2.026267|3.825807|7.743333|12.042312|17.824728|36.858105|
|2.491503|3.038266|2.944962|4.687734|3.979850|0.116484|3.197132|2.937443|2.457442|2.265006|2.376510|2.778850|3.717003|1.880468|3.499067|5.197381|8.111518|10.636859|12.444870|36.858105|
|2.241874|2.632224|2.485061|3.772275|3.074405|0.087575|2.593364|2.464086|2.120247|1.954524|2.016003|2.289571|3.202598|1.650280|3.076020|3.862145|6.517759|6.818751|7.525026|12.438713|36.858105|
|2.342072|2.729262|2.483406|3.678200|2.857337|0.079840|2.395912|2.282053|1.968662|1.815141|1.869642|2.118212|2.981347|1.542778|2.867960|3.535647|6.061843|6.026834|6.424897|7.521145|12.443042|36.858105|
|2.814066|3.319201|2.882124|4.161348|3.177659|0.085550|2.624253|2.525900|2.142727|1.942958|1.985182|2.261979|3.124880|1.620403|3.040045|4.096976|7.276611|6.773181|7.519433|6.447833|7.544413|12.444122|36.858105|
|3.363996|4.274399|3.682806|5.507647|4.212155|0.111849|3.255474|3.043639|2.492425|2.246913|2.326375|2.729898|3.596881|1.836531|3.446158|5.817140|9.737766|10.468503|12.424392|7.540214|6.450542|7.524621|12.436801|36.858105|
|4.173382|5.962014|7.655566|18.928184|7.869353|0.220066|5.271829|4.007992|3.215124|3.121157|3.617008|4.793397|5.484452|2.592792|4.620086|5.863778|8.084744|7.603810|4.128680|3.483025|2.798226|2.770841|3.065524|4.045877|36.858105|
|3.398324|4.589784|5.333505|11.500318|7.084792|0.238432|4.755748|3.640808|2.963054|2.903348|3.381380|4.445307|5.222959|2.458854|4.350163|5.735335|7.629581|8.505335|4.520200|3.998245|3.100424|3.013421|3.220126|4.266797|15.827827|73.516695|
|4.212379|5.494844|6.539322|10.548633|5.019170|0.137332|3.985877|3.257417|2.757397|2.722146|3.104985|3.832109|4.910377|2.371509|4.164148|4.114425|6.233476|5.388510|3.237568|2.821839|2.382915|2.425417|2.675114|3.349067|12.657566|14.399207|36.858105|
|3.834785|4.533689|5.711717|8.326720|4.300628|0.117626|3.781167|3.129012|2.750073|2.798496|3.235978|3.869318|5.255663|2.531497|4.348034|3.439638|5.386131|4.386975|2.684787|2.389060|2.053011|2.068205|2.251641|2.720330|7.552687|10.010012|13.683224|36.858105|
|3.381205|3.713776|4.260094|5.817704|3.278306|0.090060|2.981402|2.578730|2.335222|2.384954|2.692417|3.065750|4.513869|2.234213|3.815025|2.774562|4.471404|3.606147|2.295487|2.080272|1.831293|1.866088|2.017008|2.366114|5.012101|7.408435|7.867701|13.694642|36.858105|
|3.249911|3.530278|3.732535|5.065121|2.921601|0.080462|2.602986|2.292938|2.070192|2.081581|2.304619|2.608869|3.859211|1.938479|3.348576|2.588651|4.202599|3.450621|2.254184|2.055695|1.834386|1.903669|2.058327|2.387733|4.456214|6.873630|6.862342|7.983917|13.840476|36.858105|
|3.468048|3.922735|3.923982|5.434248|3.106097|0.085614|2.657402|2.335089|2.067878|2.044085|2.248935|2.587949|3.705631|1.859263|3.254656|2.832157|4.556310|3.864724|2.545202|2.305929|2.053769|2.167143|2.362593|2.772983|5.027940|7.856873|7.876151|6.865245|7.906219|13.727727|36.858105|
|3.948324|4.906280|4.952783|7.284271|3.925278|0.108075|3.174322|2.717129|2.337909|2.286255|2.537811|3.018568|4.085735|2.020838|3.566853|3.542614|5.523200|4.866503|3.103162|2.745248|2.378318|2.498130|2.759509|3.387413|7.578827|11.184550|13.639741|7.945008|6.864993|7.978880|13.781605|36.858105|
|3.869160|4.961553|4.572333|6.851695|3.919681|0.108148|3.067711|2.660842|2.261977|2.173766|2.377754|2.829420|3.797749|1.892276|3.383250|3.805716|5.906143|5.508032|3.623931|3.176703|2.752054|2.973775|3.332370|4.186908|6.876636|11.402727|8.143020|5.279996|4.623502|5.241058|7.985712|14.150822|73.516695|
|3.605287|4.178661|5.741712|8.479043|4.610671|0.125738|4.380608|3.538280|3.162785|3.329051|4.003713|4.803196|6.516074|3.049298|5.130530|3.478941|5.467792|4.291352|2.586727|2.308669|1.974452|1.950350|2.109792|2.534142|6.565290|9.044268|7.932085|14.166716|8.191887|5.311466|4.625998|5.218638|7.145073|73.516695|
|17.559714|8.793630|5.492594|5.535397|3.434130|0.082036|3.100821|3.127029|2.691130|2.397692|2.384036|2.650324|3.697824|1.960565|3.725343|3.599492|6.903852|4.328239|3.017500|2.447386|2.251643|2.401833|2.934420|3.413957|3.618626|5.450097|3.664534|3.296536|2.999283|2.986997|3.252521|3.628451|6.584643|5.428537|0.500000|
|17.533803|8.757815|6.832936|6.241963|3.605191|0.086251|3.338616|3.270225|2.855008|2.613793|2.646740|2.942748|4.122170|2.169140|4.059252|3.446454|6.288357|4.090058|2.717560|2.260004|2.039490|2.128769|2.498357|2.942020|4.054102|5.813582|4.405964|4.205999|3.827123|3.665055|3.795897|4.150570|6.855625|6.914913|0.301771|0.500000|
|17.537345|8.765714|6.860071|6.204707|3.908599|0.089906|3.766907|3.972563|3.409789|2.954729|2.865357|3.147348|4.343309|2.322069|4.508102|3.908725|7.709258|4.400313|2.939350|2.385662|2.152807|2.212237|2.632584|3.097953|3.717828|5.493431|3.632628|3.425489|3.023493|2.845642|2.958199|3.322223|5.764655|6.009739|0.302075|0.301320|0.500000|
|8.852202|17.557007|8.845470|9.392151|4.930118|0.117125|3.892272|3.539337|2.887058|2.633933|2.767915|3.288736|4.232206|2.147723|3.988038|4.974187|8.410746|6.107943|3.935334|3.098596|2.693617|2.859643|3.478955|4.521985|6.509504|8.901800|6.454725|4.890725|4.052172|4.028760|4.769153|6.292111|11.874284|7.432998|0.212352|0.210803|0.172848|0.500000|
|8.863173|17.604714|8.871052|9.238541|5.784384|0.126489|4.608068|4.469535|3.455184|2.977178|3.014570|3.573512|4.465137|2.292207|4.403045|6.760730|13.200022|7.301446|4.712792|3.446102|2.971237|3.072650|3.873332|5.159681|5.332270|7.858160|4.552457|3.765870|3.131861|3.008487|3.358923|4.163506|7.940611|6.335997|0.213039|0.172937|0.210798|0.303073|0.500000|
|6.853238|8.864259|17.649493|12.591399|7.394085|0.148702|7.388397|6.965400|5.138125|4.403765|4.504251|5.473868|6.257004|3.149002|6.119558|5.951136|10.623299|5.935498|3.507408|2.815376|2.392466|2.352574|2.714293|3.386988|5.724554|7.859523|4.881284|4.591907|3.601343|3.149591|3.228914|3.876851|6.488193|8.850505|0.140567|0.167215|0.203684|0.173972|0.215193|0.500000|
|7.057589|8.868871|17.624617|12.395573|5.674459|0.130646|5.135317|4.458831|3.694422|3.489435|3.785468|4.551989|5.662574|2.814196|5.159252|4.533413|7.527268|5.126527|3.095657|2.574122|2.210462|2.223534|2.534939|3.133599|6.929979|8.596746|7.226508|7.173269|5.236862|4.353730|4.352902|5.274940|7.960985|12.859624|0.142610|0.209743|0.174884|0.209197|0.174327|0.305671|0.500000|
|3.925648|4.561509|5.328684|7.089126|6.795283|0.143420|8.970935|17.810468|8.911059|5.717901|5.010732|5.630573|6.588638|3.445843|7.406262|6.896799|15.268156|6.392440|3.873953|3.117078|2.637182|2.453087|2.775474|3.352648|3.837388|6.212641|3.134108|2.935388|2.449858|2.223151|2.299473|2.682480|4.776495|5.677750|0.095380|0.094911|0.121948|0.104041|0.142788|0.193132|0.119522|0.500000|
|2.912574|3.070917|3.571673|4.693645|4.017551|0.097502|5.594139|8.804109|17.745486|8.946120|5.646021|4.898926|7.766725|4.648241|12.154490|3.724976|7.245364|4.079248|2.618470|2.289239|2.016228|1.879921|2.050148|2.339024|2.787906|4.596057|2.444104|2.433361|2.110551|1.896300|1.896987|2.119489|3.674628|4.870537|0.072143|0.074980|0.091543|0.073662|0.088947|0.122701|0.090355|0.213622|0.500000|
|2.891735|3.464173|4.648119|8.322122|7.146965|0.225500|8.755900|5.606951|4.897081|5.648280|8.981372|17.715124|12.253779|4.669913|7.784990|4.624906|6.891586|5.472180|3.081998|2.799241|2.290160|2.123610|2.239782|2.708757|5.319936|9.065162|4.218233|4.299989|3.343770|2.810741|2.776406|3.255879|5.346554|9.670400|0.070140|0.078421|0.080442|0.090343|0.093291|0.132718|0.122967|0.123513|0.106612|0.500000|
|2.189242|2.291958|2.769311|3.825268|2.947390|0.079595|3.741196|3.751740|4.626879|6.654819|6.657799|4.631916|16.565659|17.593978|16.565641|2.473297|4.277174|2.969045|1.892534|1.751620|1.548782|1.463504|1.542843|1.742989|2.497241|4.156851|2.343568|2.553422|2.286839|1.970546|1.865034|2.002070|3.297843|5.512020|0.054256|0.060998|0.064485|0.058640|0.061628|0.085243|0.078362|0.087269|0.115102|0.115574|0.500000|
|1.959944|2.085551|2.467287|3.523703|2.836869|0.078661|3.576835|3.587683|4.420877|6.321402|6.320822|4.423095|16.594444|17.665093|16.592818|2.430613|4.183575|2.964897|1.900068|1.790349|1.581661|1.471723|1.530973|1.717707|2.330153|3.999763|2.136854|2.261627|2.021630|1.775792|1.709471|1.847898|3.100066|4.741195|0.049281|0.053781|0.057312|0.053808|0.057261|0.075108|0.067941|0.083941|0.111035|0.111554|0.297232|0.500000|
|3.216840|4.319909|4.539825|8.593575|7.723236|0.249117|4.918740|3.990971|3.125478|2.907552|3.211820|4.113147|4.838488|2.343242|4.310899|9.503750|10.925656|25.971437|9.017736|7.166040|4.633079|4.172005|4.463196|6.583452|6.596655|15.075768|4.448052|3.527103|2.863258|2.740247|3.098048|3.987487|8.072018|6.047895|0.083315|0.081270|0.083856|0.123029|0.132393|0.114526|0.105603|0.112942|0.076927|0.118968|0.060539|0.060378|0.500000|
|3.046133|3.756033|3.516506|5.325459|4.689093|0.122868|3.794679|3.695596|2.966393|2.594488|2.626307|3.062538|3.980503|2.042527|3.922846|7.425513|13.702744|12.683964|17.606189|8.889631|6.812748|5.676100|6.815719|8.894050|3.596569|6.722355|2.889038|2.463130|2.122983|2.070951|2.299332|2.745123|5.537042|4.291724|0.083200|0.073689|0.082746|0.100680|0.128292|0.096482|0.081835|0.117195|0.077693|0.081579|0.052805|0.053269|0.180543|0.500000|
|2.335144|2.814366|2.815887|4.517128|4.001903|0.119765|3.320674|3.056357|2.575583|2.383732|2.501863|2.911534|3.912943|1.975483|3.681915|5.082197|7.925759|9.728001|8.856355|17.546382|8.796173|5.481002|4.838800|5.501197|3.291912|6.715545|2.656064|2.296623|1.995914|1.946463|2.144994|2.528850|5.041012|4.026688|0.063027|0.059165|0.063059|0.078197|0.087829|0.076268|0.068649|0.089025|0.066465|0.081158|0.050590|0.052579|0.182414|0.215873|0.500000|
|2.440110|2.993169|2.930662|4.767573|3.914848|0.118797|3.093855|2.767082|2.331224|2.189148|2.339344|2.757863|3.696488|1.852499|3.396700|4.762853|7.153068|9.745336|8.859417|17.481847|8.848978|6.777081|5.664896|6.796153|3.726157|7.968681|3.021500|2.524605|2.198744|2.188475|2.481511|2.976760|6.218802|4.279034|0.066325|0.062361|0.064070|0.086924|0.091692|0.076265|0.072147|0.079800|0.059836|0.079092|0.048136|0.049007|0.214688|0.174271|0.302874|0.500000|
|2.203969|2.549008|2.403531|3.581462|2.957000|0.082656|2.560098|2.494278|2.158548|1.967804|1.998497|2.242107|3.166417|1.647781|3.103073|3.760806|6.637724|6.274115|6.779257|8.854457|17.499189|8.854203|6.792827|5.663791|2.586601|4.978378|2.212955|1.932503|1.727253|1.719535|1.904190|2.186911|4.420820|3.339793|0.061660|0.055347|0.059601|0.071063|0.080778|0.065402|0.059224|0.075165|0.057664|0.061368|0.042861|0.043946|0.113859|0.200548|0.214585|0.173741|0.500000|
|2.004116|2.322440|2.227001|3.387476|2.744601|0.079568|2.359080|2.233349|1.954355|1.826536|1.892439|2.130142|3.045188|1.570807|2.904687|3.293679|5.512653|5.652587|5.491601|8.835321|17.538309|8.807104|5.491873|4.838340|2.545426|5.059545|2.198286|1.916331|1.724375|1.729923|1.924752|2.200366|4.474694|3.285090|0.055756|0.051292|0.053575|0.066215|0.071335|0.059647|0.055829|0.065374|0.051668|0.059704|0.040951|0.042123|0.111496|0.139870|0.211759|0.215045|0.303564|0.500000|
|2.133326|2.421663|2.203794|3.205084|2.474222|0.068829|2.129493|2.056367|1.802226|1.665376|1.702422|1.901175|2.736915|1.429088|2.657673|2.990741|5.244115|4.859664|4.824585|5.484865|8.817282|17.532859|8.810931|5.484425|2.399735|4.575398|2.144829|1.859136|1.698655|1.738170|1.961809|2.217403|4.616225|3.128112|0.061287|0.054161|0.056352|0.070054|0.075015|0.058499|0.055424|0.061360|0.048259|0.052769|0.037763|0.038031|0.093778|0.127031|0.123054|0.139238|0.214948|0.211518|0.500000|
|2.292291|2.683310|2.457271|3.680962|2.800712|0.079540|2.327831|2.180021|1.886793|1.760933|1.834937|2.088043|2.945745|1.515592|2.789710|3.349087|5.577241|5.760720|5.644778|6.773216|8.852535|17.495325|8.851003|6.776650|2.860514|5.630892|2.530438|2.139826|1.939786|1.999473|2.302752|2.655215|5.723291|3.544311|0.065069|0.058608|0.059481|0.079777|0.082048|0.063747|0.061782|0.064150|0.049722|0.058953|0.040062|0.040171|0.116789|0.131400|0.139110|0.199468|0.173783|0.214629|0.303260|0.500000|
|2.776627|3.197922|2.778155|3.927427|3.053290|0.080873|2.591390|2.561788|2.183545|1.955534|1.967149|2.215069|3.087911|1.616720|3.064550|3.988168|7.491607|6.237420|6.775790|5.663269|6.792940|8.853924|17.497572|8.850617|2.804533|5.141470|2.453776|2.104282|1.888823|1.909939|2.156182|2.488757|5.181300|3.555862|0.080876|0.067800|0.073633|0.090145|0.105440|0.074360|0.067651|0.079554|0.058747|0.060053|0.042692|0.042474|0.110409|0.200682|0.126846|0.131200|0.200041|0.139407|0.214797|0.173757|0.500000|
|2.824977|3.256725|2.763086|3.896678|2.871306|0.077001|2.398529|2.312558|1.984301|1.810321|1.849282|2.092302|2.933265|1.527416|2.853292|3.546354|6.325190|5.606865|5.486329|4.835661|5.491949|8.808866|17.535033|8.827856|2.909258|5.345526|2.625201|2.212463|2.011104|2.084370|2.415357|2.781842|6.046547|3.638468|0.083682|0.070141|0.072398|0.096956|0.103289|0.071578|0.068559|0.070148|0.052937|0.057756|0.040705|0.040062|0.106318|0.139904|0.106585|0.126774|0.139421|0.123125|0.211412|0.214561|0.303625|0.500000|
|3.301185|4.247085|3.707367|5.700501|4.154001|0.113890|3.153569|2.863031|2.364816|2.174191|2.291780|2.711238|3.576487|1.810116|3.348933|5.261899|8.267240|9.635892|8.867672|6.797652|5.662516|6.764451|8.823198|17.496267|4.492933|8.711672|3.745677|2.951839|2.566901|2.629789|3.136917|3.918533|9.155873|4.769013|0.092362|0.082150|0.082627|0.132050|0.134133|0.091754|0.089332|0.085191|0.061093|0.076433|0.047932|0.047027|0.194525|0.174507|0.139753|0.200468|0.131150|0.126762|0.138975|0.199028|0.173469|0.214165|0.500000|
|4.073886|5.306475|4.235657|5.998869|4.429807|0.111612|3.434770|3.270085|2.646021|2.348931|2.405762|2.818528|3.685430|1.891962|3.580259|6.198104|11.167450|9.518097|8.858878|5.505666|4.844044|5.485971|8.806917|17.560240|4.217850|7.431100|3.531671|2.864628|2.481748|2.496564|2.895423|3.549030|7.701281|4.734377|0.116518|0.095513|0.102850|0.153655|0.191538|0.107623|0.097802|0.102367|0.069245|0.076504|0.050140|0.048751|0.162317|0.216526|0.123742|0.139719|0.126985|0.106684|0.123100|0.139170|0.214908|0.211681|0.302873|0.500000|
|3.046915|3.234168|3.736065|5.027199|2.953593|0.081197|2.793048|2.449721|2.271008|2.356254|2.657190|2.941127|4.557039|2.274432|3.831894|2.499869|4.080473|3.225923|2.068339|1.890545|1.676454|1.697243|1.822563|2.108437|4.100456|6.245466|5.632404|8.954191|17.754862|8.870238|5.617260|4.951066|6.522070|13.434571|0.075297|0.096099|0.077709|0.094766|0.077011|0.091545|0.127118|0.064094|0.057238|0.088686|0.065661|0.057167|0.070421|0.053757|0.050873|0.055123|0.044223|0.044080|0.043232|0.048751|0.047839|0.050379|0.062692|0.061283|0.500000|
|2.875650|3.016644|3.131966|4.197443|2.511179|0.069246|2.283231|2.046269|1.875657|1.891844|2.073824|2.300688|3.519568|1.790707|3.085590|2.261367|3.721915|3.024474|2.010356|1.853763|1.677426|1.745316|1.874331|2.131299|3.561145|5.670291|4.946548|5.668065|8.974272|17.718395|8.942046|5.670682|7.510364|7.617141|0.074765|0.090246|0.070925|0.093871|0.072702|0.075593|0.099971|0.055257|0.048177|0.068322|0.050860|0.045874|0.066107|0.051722|0.048904|0.054626|0.043842|0.044212|0.044693|0.050900|0.048554|0.053026|0.064698|0.061671|0.213855|0.500000|
|3.159536|3.480400|3.342184|4.586799|2.729287|0.075352|2.352168|2.102640|1.874712|1.844458|2.005057|2.277978|3.321541|1.684721|2.960701|2.568554|4.186794|3.559886|2.412689|2.211437|2.006347|2.150609|2.334793|2.678313|4.099190|6.705587|5.615555|4.947040|5.629318|8.872126|17.704839|8.917313|12.810903|6.520558|0.085068|0.094965|0.075140|0.117311|0.084965|0.078264|0.100109|0.058086|0.048255|0.067269|0.046895|0.043356|0.078614|0.060632|0.056754|0.066213|0.051558|0.052452|0.054503|0.063989|0.058930|0.067382|0.084566|0.077172|0.123521|0.214862|0.500000|
|3.491478|4.211013|3.802667|5.492490|3.291364|0.091085|2.664577|2.359579|2.038879|1.963322|2.127439|2.481045|3.439544|1.732150|3.093573|3.261250|5.194133|4.751319|3.264083|2.933998|2.621145|2.893033|3.209277|3.845329|5.132766|8.828235|6.055415|4.436437|4.175314|5.008034|7.843416|10.028857|35.752826|6.143302|0.095711|0.097599|0.081814|0.152528|0.107146|0.087205|0.104864|0.066464|0.052300|0.072858|0.047337|0.044625|0.106791|0.078804|0.072551|0.089765|0.065735|0.067214|0.071151|0.088128|0.077703|0.093444|0.130956|0.109338|0.094077|0.117272|0.232578|0.500000|
|3.794023|4.586395|6.877775|11.152217|5.871647|0.157508|5.593905|4.250401|3.680996|3.864144|4.795151|6.192721|7.410677|3.367799|5.736807|4.098741|6.307652|4.902611|2.862988|2.520496|2.121308|2.071765|2.250142|2.745619|7.780862|10.298703|7.699082|9.944229|6.058393|4.436290|4.149147|4.943385|7.144032|35.687541|0.088134|0.109771|0.100229|0.123334|0.110095|0.167207|0.225923|0.104043|0.086286|0.197247|0.093122|0.080698|0.107745|0.074305|0.069134|0.072502|0.056195|0.054807|0.051583|0.058422|0.059435|0.059923|0.079981|0.080324|0.153160|0.101155|0.093587|0.094479|0.500000|
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