Version2.0
2020-07-27T18:20:31Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
07-Jul-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1ccc(cc1C)N2C[C@@H](CC2=O)C(=O)Nc3cc(nn3c4[nH]c(=O)c(c(n4)C)C)c5ccco5 C12008456
RHF
6-31G(d)
(6D,7F)
Cc1ccc(cc1C)N2C[C@@H](CC2=O)C(=O)Nc3cc(nn3c4[nH]c(=O)c(c(n4)C)C)c5ccco5
C01[X(C26H26N6O4)]
180
C1
592
O=C([C@H]1CN(C(=O)C1)c1ccc(c(c1)C)C)Nc1cc(nn1c1nc(C)c(c(=O)[nH]1)C)c1ccco1
O=C([C@H]1CN(C(=O)C1)c1ccc(c(c1)C)C)Nc1cc(nn1c1nc(C)c(c(=O)[nH]1)C)c1ccco1
Cc1ccc(cc1C)N2C[C@@H](CC2=O)C(=O)Nc3cc(nn3C4=NC(=C(C)C(=O)N4)C)c5occc5
InChIKey=LWEJQTQXUZFJKG-GOSISDBHSA-N
InChI=1S/C26H26N6O4/c1-14-7-8-19(10-15(14)2)31-13-18(11-23(31)33)25(35)28-22-12-20(21-6-5-9-36-21)30-32(22)26-27-17(4)16(3)24(34)29-26/h5-10,12,18H,11,13H2,1-4H3,(H,28,35)(H,27,29,34)/t18-/m1/s1
InChI=1/C26H26N6O4/c1-14-7-8-19(10-15(14)2)31-13-18(11-23(31)33)25(35)28-22-12-20(21-6-5-9-36-21)30-32(22)26-27-17(4)16(3)24(34)29-26/h5-10,12,18H,11,13H2,1-4H3,(H,28,35)(H,27,29,34)/t18-/m1/s1/f/h28-29H
Cc1ccc(cc1C)N2C[C@@H](CC2=O)C(=O)Nc3cc(nn3c4[nH]c(=O)c(c(n4)C)C)c5ccco5
C01[X(C26H26N6O4)]
180
C01
592
O=C([C@H]1CN(C(=O)C1)c1ccc(c(c1)C)C)Nc1cc(nn1c1nc(C)c(c(=O)[nH]1)C)c1ccco1
O=C([C@@H]1CC(=O)N(C1)[C]1[CH][CH][C]([C]([CH]1)C)C)NC1=[CH][C]([N]N1[C]1[N]C(=C(C(=O)N1)C)C)C1=[CH][CH]=CO1
C[C]1[CH][CH][C]([CH][C]1C)N2C[C@@H](CC2=O)C(=O)NC3=C[C]([N]N3[C]4[N]C(=C(C)C(=O)N4)C)c5occc5
InChIKey=LWEJQTQXUZFJKG-GOSISDBHSA-N
InChI=1S/C26H26N6O4/c1-14-7-8-19(10-15(14)2)31-13-18(11-23(31)33)25(35)28-22-12-20(21-6-5-9-36-21)30-32(22)26-27-17(4)16(3)24(34)29-26/h5-10,12,18H,11,13H2,1-4H3,(H,28,35)(H,27,29,34)/t18-/m1/s1
InChI=1/C26H26N6O4/c1-14-7-8-19(10-15(14)2)31-13-18(11-23(31)33)25(35)28-22-12-20(21-6-5-9-36-21)30-32(22)26-27-17(4)16(3)24(34)29-26/h5-10,12,18H,11,13H2,1-4H3,(H,28,35)(H,27,29,34)/t18-/m1/s1/f/h28-29H
3621.2992161756
-1625.9063561
1-A
26361.8006
128
464
592
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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10.24473
1.3141 -0.5287 -3.5810
3.8510
|XX|YY|ZZ|XY|XZ|YZ|
-233.0642 -183.0992 -211.6155 -5.3366 -6.3625 13.3409
|XX|YY|ZZ|XY|XZ|YZ|
-23.8046 26.1605 -2.3559 -5.3366 -6.3625 13.3409
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
359.6870 94.5159 -19.4113 -125.4506 158.9596 -56.6174 13.3182 -3.6685 -8.4313 17.6874
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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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6.4748 13.0283 21.7214 28.7693 34.8582 36.5023 51.5697 53.8552 66.2923 68.7257 83.5813 102.1141 109.3778 116.3212 123.6911 130.8559 136.0647 146.9401 170.1796 184.6760 189.3603 201.7608 211.9315 220.0360 249.4000 261.5517 262.5328 277.9280 303.2333 327.8928 333.0862 336.6506 348.0921 365.3259 378.1336 387.9845 402.2194 450.9308 456.8363 484.4023 492.9395 495.7230 564.7713 569.0596 577.6202 586.9533 611.6239 625.8051 632.5206 649.6545 655.6272 671.0771 695.3538 704.6613 711.8427 731.8015 740.4227 747.7574 772.8107 787.6225 788.4160 803.9647 809.5386 811.8191 821.9240 853.7131 865.9890 872.8276 884.6623 920.9056 933.4460 941.1805 963.7291 971.0110 979.1372 985.7069 1009.0825 1012.2491 1016.0007 1022.6195 1059.5481 1061.4453 1063.4377 1069.0821 1073.9508 1098.9468 1101.9595 1107.3240 1112.3769 1151.7766 1153.1215 1156.9526 1182.0685 1184.8134 1186.6637 1191.9325 1205.7981 1219.1109 1222.1379 1244.0222 1254.9427 1266.1618 1280.0464 1293.9010 1298.9409 1307.2954 1315.3840 1316.7722 1345.5559 1350.7995 1356.5017 1376.4374 1387.5137 1390.6790 1397.7706 1404.5210 1433.5274 1457.5370 1480.7535 1499.6819 1514.5660 1527.8373 1547.4843 1559.3263 1562.3201 1569.1410 1575.0316 1581.4424 1582.8553 1594.4692 1620.1797 1622.8414 1626.0953 1626.8584 1638.8852 1640.6229 1642.0788 1644.2749 1653.8984 1671.8810 1675.3576 1685.1900 1689.1330 1707.5801 1740.1305 1775.9517 1781.9613 1801.0914 1822.8422 1824.7235 1846.7248 1961.5865 1980.5172 1992.2546 3198.5367 3202.9993 3209.4447 3209.6135 3214.5620 3236.8943 3247.3574 3250.9246 3252.2239 3258.8748 3266.1788 3278.4187 3289.7424 3304.3085 3328.6442 3329.0430 3335.4123 3355.8273 3391.1044 3437.7296 3443.3048 3459.4375 3485.5136 3523.7751 3783.8890 3835.0258
5.5675 4.7618 4.1053 5.2770 4.8307 5.9289 6.6829 5.4683 5.4904 1.1069 6.4907 4.2875 3.7379 1.4843 2.9010 1.0580 4.7110 3.6396 4.7788 1.1256 3.4959 6.8136 4.2092 4.4130 5.0443 3.6589 4.3248 5.3805 4.3720 2.9466 4.4144 2.7713 3.6687 4.7472 4.4985 3.9966 4.7989 7.9554 8.9727 5.6971 3.7202 3.0255 5.6583 3.8964 5.2703 4.7555 3.2262 7.3528 3.2006 3.7924 2.8869 4.3461 4.9120 6.6193 3.8216 4.7300 1.4053 4.3270 5.3004 1.8760 2.7386 4.3445 4.2697 3.8835 2.5059 5.2201 1.2573 5.6689 4.3223 1.3895 1.4894 4.9950 1.4082 6.3228 4.7854 4.7800 1.4097 2.6402 1.4044 2.1299 1.4719 2.8813 3.3105 2.7325 3.5738 1.9221 1.7192 1.4921 1.6588 1.4360 2.3123 1.4332 1.5992 1.5628 1.7191 1.9225 2.8872 3.0759 2.9579 2.0945 2.4750 3.3796 2.8327 3.0397 2.5347 1.2923 2.3411 1.9729 2.1026 2.5539 1.3678 2.5454 2.8319 3.9762 3.4987 1.9328 1.5763 1.5467 1.9747 3.1191 2.6190 2.1364 2.7373 3.2237 1.3053 1.2305 1.2580 2.3104 1.8245 2.3476 1.1047 1.1308 1.0458 1.0460 1.1794 1.0462 1.1201 1.0767 1.0451 1.1649 4.0117 2.4597 4.6276 4.7236 2.7448 5.9257 4.9284 4.6999 5.6557 7.3042 8.2867 9.8034 12.0251 10.0987 1.0390 1.0385 1.0701 1.0445 1.0418 1.0724 1.1019 1.1018 1.0813 1.1033 1.1017 1.1013 1.1007 1.0998 1.0973 1.0950 1.0983 1.0901 1.0938 1.0924 1.0931 1.0998 1.1062 1.0995 1.0805 1.0791
0.0001 0.0005 0.0011 0.0026 0.0035 0.0047 0.0105 0.0093 0.0142 0.0031 0.0267 0.0263 0.0263 0.0118 0.0262 0.0107 0.0514 0.0463 0.0815 0.0226 0.0739 0.1634 0.1114 0.1259 0.1849 0.1475 0.1756 0.2449 0.2369 0.1867 0.2886 0.1851 0.2619 0.3733 0.3790 0.3545 0.4574 0.9531 1.1033 0.7876 0.5326 0.4381 1.0634 0.7434 1.0360 0.9653 0.7111 1.6966 0.7544 0.9430 0.7311 1.1532 1.3993 1.9365 1.1409 1.4924 0.4539 1.4255 1.8651 0.6857 1.0030 1.6545 1.6486 1.5080 0.9974 2.2416 0.5555 2.5445 1.9931 0.6943 0.7646 2.6069 0.7706 3.5124 2.7031 2.7364 0.8457 1.5939 0.8541 1.3123 0.9736 1.9126 2.2058 1.8401 2.4286 1.3677 1.2300 1.0779 1.2093 1.1224 1.8115 1.1303 1.3166 1.2926 1.4263 1.6092 2.4733 2.6934 2.6030 1.9098 2.2965 3.1922 2.7347 2.9983 2.5197 1.3013 2.3866 2.0154 2.2429 2.7456 1.4829 2.8413 3.2122 4.5307 4.0275 2.2465 1.9085 1.9359 2.5511 4.1331 3.5397 2.9383 3.8621 4.6183 1.8771 1.7850 1.8387 3.4045 2.6933 3.5165 1.7086 1.7547 1.6293 1.6312 1.8665 1.6591 1.7795 1.7151 1.6843 1.9184 6.6343 4.1155 7.7792 8.1150 4.8970 11.0116 9.2204 8.9828 11.0723 14.3290 16.6509 22.2251 27.7905 23.6158 6.2628 6.2770 6.4942 6.3397 6.3426 6.6198 6.8464 6.8607 6.7383 6.9039 6.9249 6.9741 7.0187 7.0747 7.1630 7.1501 7.1992 7.2330 7.4106 7.6063 7.6358 7.7552 7.9177 8.0436 9.1150 9.3509
0.2835 0.0476 0.0772 0.9682 1.9523 1.0114 0.7081 0.9756 0.4981 0.4806 4.9074 3.0058 2.4152 0.5567 0.8343 0.0262 2.5617 1.7780 1.2674 0.5653 0.8344 8.5946 0.5899 0.4075 0.2566 6.4781 1.9776 0.3288 1.6240 1.1800 6.1088 0.5774 7.6516 0.2711 17.2665 1.0931 11.3528 4.7686 1.3591 0.6771 4.1666 3.0846 18.9273 6.3074 1.0308 7.2463 16.9229 12.3596 0.1943 3.3469 11.2681 2.2387 2.1651 7.5939 23.4016 12.7020 48.1441 0.4747 13.0649 69.3186 3.1886 1.9679 0.0868 3.3966 3.0170 15.6209 44.3890 117.1839 17.3270 27.9707 76.1905 0.9332 2.5178 6.6320 28.0853 57.4348 11.0540 10.2132 0.6565 0.2563 5.7443 18.2208 7.1540 31.0411 31.1910 11.4652 39.9663 29.7551 1.2201 0.2771 24.0720 4.6462 0.0163 1.3498 21.0454 20.7129 20.6198 39.4859 22.0239 3.9511 25.6162 84.4867 2.8110 8.4547 36.3943 2.9680 339.3987 37.5954 30.8436 37.4166 10.4099 9.5342 38.3406 57.8858 116.9250 20.7233 56.0547 12.5863 166.6961 399.9035 54.3285 41.6725 9.4515 13.6066 14.1756 0.2117 18.3152 159.3492 15.4181 91.6142 18.3163 3.2180 0.0098 9.3268 5.8962 11.6031 10.5729 12.4505 4.3123 76.2027 113.7667 167.8284 4.8371 149.8285 1306.7295 27.5403 832.1753 400.3421 37.6067 56.8723 546.7953 819.1626 449.1882 159.6306 15.8593 72.2345 35.1655 48.9363 21.0078 14.4851 5.6190 53.1488 29.3646 33.5626 15.3475 34.0966 20.8823 9.9797 6.3691 4.8626 22.9689 27.3279 20.2812 0.5104 6.9157 0.1749 2.2532 10.9254 294.8623 153.3166
1.4037 4.4256 5.6209 3.3222 1.9331 1.2119 0.6059 0.6201 0.4794 0.5122 0.9778 0.3656 0.6497 0.0779 1.6470 0.1628 0.2794 0.2164 0.6088 0.1520 2.0907 0.8679 1.9178 1.0686 1.7993 1.0161 1.6555 2.5364 1.2722 1.1072 0.1787 1.0826 1.4024 1.9424 0.8458 2.8861 2.9569 1.4173 1.3717 1.1572 0.9514 0.3775 0.9981 4.3163 3.7946 6.7474 1.5697 7.0671 1.9474 2.6494 2.1621 8.3400 2.3892 1.5310 1.4152 5.0588 4.3921 2.7439 14.9930 1.5054 1.5792 4.9134 19.1455 7.0779 0.5824 9.7783 1.2204 4.4497 1.6674 1.1893 2.5378 11.0671 3.6370 8.3298 2.8520 2.3543 1.7661 3.9113 7.3304 3.0865 5.1537 4.9951 19.4163 2.4826 17.9296 3.6599 5.4534 37.9217 0.8857 3.0015 4.5405 1.2631 0.1850 0.7572 2.8817 12.1963 9.6204 27.6334 19.0472 2.2671 1.9494 0.4449 15.3043 3.9310 0.5475 3.6648 13.5251 0.5100 3.0152 31.5281 8.7879 37.7324 9.4337 34.9231 8.7552 11.1761 15.8501 9.2139 21.0392 101.5022 12.3260 19.6928 58.2923 16.6684 13.6915 10.2557 32.4564 7.9735 38.1488 1.4189 10.0742 29.6468 27.1619 19.9321 6.1299 11.2056 13.0284 15.9894 15.2708 8.8399 128.2393 2.0218 320.9688 548.7689 12.5821 33.9202 303.4930 111.0242 116.0050 900.5380 49.7153 26.8505 8.9773 26.7361 35.2168 276.0165 41.9262 165.0456 176.1940 51.1861 16.6567 155.1381 162.2497 94.9574 79.6585 53.9504 61.3993 79.3489 49.4281 32.7093 82.7150 91.3959 93.9720 39.2351 118.7174 42.5719 148.1040 37.7499 87.0304 21.9129
0.7493 0.7409 0.7494 0.7495 0.7498 0.7478 0.7409 0.7368 0.5800 0.7406 0.7377 0.7414 0.7494 0.5734 0.7424 0.7485 0.6812 0.7419 0.3677 0.7189 0.5347 0.7475 0.2493 0.4505 0.4582 0.5402 0.7160 0.6868 0.6671 0.1035 0.6047 0.5202 0.7339 0.7488 0.7103 0.5651 0.5934 0.5616 0.7243 0.7466 0.4999 0.7282 0.7497 0.7449 0.1388 0.2795 0.4295 0.2826 0.7499 0.3239 0.7496 0.0933 0.4142 0.7419 0.7494 0.7411 0.6893 0.6889 0.0892 0.7437 0.7417 0.1457 0.1030 0.4514 0.7387 0.4787 0.7499 0.7497 0.7121 0.4522 0.6650 0.1352 0.7499 0.5845 0.7071 0.4141 0.7496 0.6330 0.7499 0.4602 0.4685 0.3837 0.0672 0.7481 0.3598 0.7169 0.5541 0.3627 0.0849 0.7465 0.6023 0.7479 0.7344 0.7499 0.7499 0.4596 0.7371 0.7433 0.1468 0.5392 0.5545 0.6849 0.2322 0.6335 0.1240 0.7480 0.2414 0.5124 0.5196 0.1506 0.4946 0.5981 0.2186 0.3537 0.6462 0.4255 0.1331 0.3090 0.2093 0.5856 0.1596 0.2040 0.4759 0.4185 0.7126 0.4129 0.4012 0.5733 0.6938 0.5202 0.7492 0.6803 0.7499 0.7452 0.7426 0.7476 0.7468 0.5041 0.7500 0.7425 0.7313 0.7462 0.2645 0.1956 0.1934 0.2889 0.3193 0.4815 0.5173 0.3148 0.6609 0.3824 0.4822 0.1534 0.1177 0.0316 0.6099 0.0775 0.0257 0.4646 0.7497 0.7484 0.0832 0.7500 0.7453 0.7435 0.7406 0.5653 0.5752 0.4060 0.6279 0.4267 0.1715 0.2593 0.5902 0.2486 0.1708 0.2746 0.1838 0.2646
0.8567 0.8512 0.8568 0.8568 0.8570 0.8557 0.8511 0.8485 0.7342 0.8510 0.8490 0.8515 0.8567 0.7289 0.8521 0.8562 0.8104 0.8518 0.5377 0.8365 0.6968 0.8555 0.3991 0.6211 0.6284 0.7014 0.8345 0.8143 0.8003 0.1875 0.7537 0.6844 0.8465 0.8563 0.8306 0.7222 0.7448 0.7192 0.8401 0.8549 0.6665 0.8427 0.8569 0.8538 0.2437 0.4369 0.6009 0.4406 0.8571 0.4893 0.8569 0.1707 0.5857 0.8518 0.8567 0.8513 0.8160 0.8158 0.1637 0.8530 0.8517 0.2544 0.1867 0.6220 0.8497 0.6475 0.8571 0.8570 0.8318 0.6228 0.7988 0.2382 0.8571 0.7378 0.8284 0.5857 0.8569 0.7753 0.8571 0.6304 0.6380 0.5545 0.1260 0.8559 0.5292 0.8351 0.7131 0.5323 0.1565 0.8549 0.7518 0.8558 0.8469 0.8571 0.8571 0.6298 0.8487 0.8528 0.2561 0.7006 0.7135 0.8130 0.3768 0.7756 0.2207 0.8558 0.3890 0.6776 0.6839 0.2617 0.6618 0.7485 0.3587 0.5226 0.7851 0.5970 0.2349 0.4721 0.3462 0.7387 0.2753 0.3388 0.6448 0.5900 0.8322 0.5845 0.5727 0.7288 0.8192 0.6844 0.8566 0.8097 0.8571 0.8540 0.8523 0.8556 0.8551 0.6703 0.8571 0.8522 0.8448 0.8547 0.4184 0.3272 0.3241 0.4483 0.4841 0.6500 0.6819 0.4789 0.7958 0.5533 0.6506 0.2659 0.2107 0.0613 0.7577 0.1438 0.0500 0.6344 0.8569 0.8561 0.1536 0.8571 0.8541 0.8529 0.8510 0.7223 0.7303 0.5775 0.7714 0.5982 0.2929 0.4119 0.7423 0.3982 0.2917 0.4309 0.3106 0.4184
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 6 6 6 6 6 6 7 6 6 1 6 6 8 6 8 7 6 6 6 7 7 6 7 1 6 8 6 6 7 6 6 6 6 6 6 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
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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
12665.0161 36384.7362 46623.6048
0.99993 0.01211 0.00108 -0.01212 0.99991 0.00618 -0.00101 -0.00619 0.99998
1
0.00684 0.00238 0.00186
0.14250 0.04960 0.03871
9.32 18.74 31.25 41.39 50.15 52.52 74.20 77.49 95.38 98.88 120.25 146.92 157.37 167.36 177.96 188.27 195.77 211.41 244.85 265.71 272.45 290.29 304.92 316.58 358.83 376.31 377.73 399.88 436.29 471.76 479.24 484.37 500.83 525.62 544.05 558.22 578.70 648.79 657.29 696.95 709.23 713.23 812.58 818.75 831.07 844.49 879.99 900.39 910.06 934.71 943.30 965.53 1000.46 1013.85 1024.18 1052.90 1065.30 1075.86 1111.90 1133.21 1134.35 1156.73 1164.75 1168.03 1182.57 1228.30 1245.97 1255.80 1272.83 1324.98 1343.02 1354.15 1386.59 1397.07 1408.76 1418.21 1451.84 1456.40 1461.80 1471.32 1524.45 1527.18 1530.05 1538.17 1545.18 1581.14 1585.47 1593.19 1600.46 1657.15 1659.08 1664.60 1700.73 1704.68 1707.34 1714.93 1734.87 1754.03 1758.38 1789.87 1805.58 1821.72 1841.70 1861.63 1868.89 1880.91 1892.54 1894.54 1935.95 1943.50 1951.70 1980.39 1996.32 2000.88 2011.08 2020.79 2062.53 2097.07 2130.47 2157.71 2179.12 2198.22 2226.48 2243.52 2247.83 2257.64 2266.12 2275.34 2277.38 2294.09 2331.08 2334.91 2339.59 2340.69 2357.99 2360.49 2362.59 2365.74 2379.59 2405.46 2410.47 2424.61 2430.29 2456.83 2503.66 2555.20 2563.84 2591.37 2622.66 2625.37 2657.03 2822.29 2849.52 2866.41 4601.98 4608.40 4617.68 4617.92 4625.04 4657.17 4672.22 4677.36 4679.22 4688.79 4699.30 4716.91 4733.21 4754.16 4789.18 4789.75 4798.91 4828.29 4879.04 4946.13 4954.15 4977.36 5014.88 5069.93 5444.17 5517.75
0.532876
0.563733
0.564677
0.464836
-1625.373480
-1625.342623
-1625.341679
-1625.441520
3.348684D-04
MUNgauss
RevisionA2.0
retrievium
27-Jul-2020
DUDE Cc1ccc(cc1C)N2C[C@@H](CC2=O)C(=O)Nc3cc(nn3c4[nH]c(=O)c(c(n4)C)C)c5ccco5 C12008456
RHF
6-31G(d)
(6D,10F)
C1
486.201554
|X|Y|Z|
138.334845 79.779576 29.333953
68.664348
29
|36.858105|
|12.607393|36.858105|
|7.581858|13.776949|36.858105|
|5.011049|7.868396|13.737068|36.858105|
|4.413273|6.789919|7.947371|13.768819|36.858105|
|5.005950|7.899634|6.937202|7.968159|13.677783|36.858105|
|7.500777|13.589948|7.971914|6.854697|7.873140|13.765280|36.858105|
|6.435730|7.520311|5.030814|4.439954|5.020362|7.619620|12.601439|36.858105|
|3.322593|4.511378|5.157651|7.855404|13.441792|7.783812|5.123139|3.851559|53.358707|
|2.889529|3.718723|4.448849|6.534358|7.605772|5.093712|3.896426|3.066683|17.815265|36.858105|
|2.391976|2.945248|3.312240|4.339745|5.128279|4.032061|3.165906|2.651455|10.983705|12.427919|36.858105|
|2.176987|2.620165|2.967710|3.780529|4.175592|3.354269|2.745797|2.332735|7.980137|8.774317|17.566909|0.500000|
|2.380495|2.932753|3.178048|4.065732|5.132939|4.282574|3.275716|2.795488|11.122391|7.927421|12.380921|0.242381|36.858105|
|2.873758|3.705666|3.948529|5.222614|7.718130|6.348085|4.365934|3.575047|19.040599|8.104529|7.872623|0.160029|12.546682|36.858105|
|2.887970|3.668822|3.692223|4.541094|6.533118|6.499599|4.532293|3.894280|11.301190|5.432404|5.341477|0.119495|7.917732|15.943363|73.516695|
|2.251001|2.717728|2.965834|3.688355|4.315258|3.660674|2.947754|2.542748|8.045923|7.518612|12.485648|0.249310|7.498191|5.790308|7.887849|36.858105|
|2.399521|2.903783|3.148113|3.860985|4.484611|3.874581|3.150098|2.709795|7.731891|6.816647|7.929585|0.170425|5.593880|5.126496|7.279844|15.968579|73.516695|
|1.946751|2.288645|2.452501|2.935203|3.353518|2.978757|2.475655|2.206010|5.880626|5.070893|7.882039|0.203518|6.207969|4.575472|6.726156|13.902739|15.005917|53.358707|
|1.791603|2.066217|2.177075|2.524364|2.836609|2.612491|2.231001|2.035350|4.674896|3.842577|5.093976|0.134575|4.391037|3.587155|5.576905|7.837222|12.060837|18.847390|36.858105|
|1.797361|2.054594|2.142597|2.438830|2.715021|2.551209|2.215376|2.042348|4.295751|3.453623|4.172631|0.107865|3.621305|3.191621|5.063500|6.206116|11.713040|10.372794|14.040779|36.858105|
|1.592712|1.788776|1.848803|2.064178|2.266427|2.164570|1.918351|1.801149|3.503518|2.764763|3.263480|0.087134|2.964582|2.637046|4.304402|4.335211|7.853645|7.282999|8.681517|13.395980|36.858105|
|1.500134|1.682193|1.743150|1.951103|2.140470|2.035636|1.801519|1.692673|3.341800|2.641318|3.194995|0.087547|2.968750|2.568172|4.210685|4.066504|6.886003|7.304500|8.447337|8.432390|14.727744|53.358707|
|1.594142|1.810528|1.894303|2.159325|2.393710|2.237118|1.944999|1.802556|3.855613|3.102026|3.978198|0.110195|3.662453|3.011433|4.836227|5.188436|8.109853|10.853016|13.861720|8.676513|9.025665|19.030487|53.358707|
|1.502370|1.699517|1.781246|2.027659|2.235689|2.085003|1.818990|1.689148|3.606726|2.888529|3.725360|0.107323|3.578511|2.873938|4.663695|4.388254|6.629750|8.726717|7.618872|5.360936|5.581817|10.981880|18.770210|36.858105|
|1.362668|1.522150|1.584150|1.775161|1.936078|1.829664|1.621974|1.524694|3.046118|2.400673|2.952952|0.084875|2.884945|2.410210|3.998734|3.365884|5.321656|6.043445|5.242489|4.289813|4.904772|9.921720|11.264415|14.211699|53.358707|
|1.327430|1.475003|1.527867|1.698905|1.846903|1.759142|1.570639|1.485362|2.868878|2.248203|2.706462|0.076728|2.623148|2.245619|3.747056|3.135220|5.111196|5.474189|4.986941|4.394372|5.470791|11.796764|10.581009|9.407065|25.946015|0.500000|
|1.275736|1.416873|1.473893|1.642754|1.779273|1.684343|1.503377|1.418065|2.777931|2.173718|2.630395|0.076598|2.626725|2.208163|3.705189|2.854833|4.515279|4.877702|3.903273|3.287548|3.612053|6.486373|7.169735|7.932977|18.636352|0.257255|36.858105|
|1.185462|1.305778|1.352017|1.491843|1.605320|1.531802|1.381278|1.312685|2.468576|1.916050|2.261232|0.065367|2.259893|1.946997|3.300406|2.442736|3.951309|4.031175|3.246115|2.868264|3.218832|5.604902|5.716026|5.490450|11.592548|0.216072|15.901463|73.516695|
|1.313466|1.465685|1.533417|1.721663|1.866210|1.750646|1.553559|1.455506|2.946016|2.313133|2.837498|0.084352|2.887490|2.370564|3.963913|2.953405|4.553623|5.004738|3.712829|3.037988|3.143930|5.324750|6.318923|6.994981|10.844254|0.160104|13.048645|14.237236|36.858105|
|1.441323|1.627105|1.715145|1.955257|2.138114|1.978067|1.730161|1.602132|3.458412|2.752966|3.524211|0.106785|3.597051|2.817588|4.621290|3.616662|5.356321|6.353266|4.423063|3.416517|3.364713|5.595638|7.272058|8.371963|9.745144|0.144597|7.908749|9.570203|14.128336|36.858105|
|1.557619|1.775103|1.875723|2.161651|2.391651|2.197950|1.898647|1.745701|3.943205|3.190450|4.286215|0.128121|4.209651|3.203548|5.132165|4.710454|6.731619|9.346538|6.508398|4.520725|4.306011|7.330271|11.199206|14.883852|11.224510|0.165764|6.778912|8.458428|7.902937|13.775807|53.358707|
|1.485677|1.683600|1.787508|2.051623|2.236276|2.045618|1.783382|1.638572|3.645773|2.902428|3.702769|0.115552|3.913680|3.005059|4.916892|3.503517|5.132428|5.742338|3.708460|2.938871|2.794089|4.378880|5.501448|5.312401|6.239278|0.102702|4.973444|6.939899|7.577669|12.675828|10.803293|36.858105|
|1.217188|1.347135|1.406154|1.564009|1.679647|1.583721|1.420354|1.337973|2.611111|2.029107|2.413399|0.071720|2.486393|2.093061|3.549078|2.441786|3.831018|3.936180|2.874398|2.448245|2.524639|4.095989|4.619200|4.499262|6.880397|0.115592|7.519704|11.724978|12.608118|7.510607|6.785049|6.255773|36.858105|
|1.505887|1.666985|1.706780|1.869713|2.027780|1.967013|1.778378|1.692964|3.044535|2.364990|2.671049|0.071309|2.459033|2.263965|3.759500|3.378761|6.343635|5.235096|5.272171|7.415159|13.077366|10.819014|7.380396|4.028233|5.241071|0.122557|3.025304|5.022659|2.624338|2.720184|4.452683|2.316592|2.188755|36.858105|
|1.365748|1.495119|1.524148|1.652164|1.777201|1.735440|1.587685|1.526179|2.638697|2.033405|2.270528|0.061336|2.128211|1.971032|3.315243|2.753313|5.074716|4.230582|4.003340|4.938571|7.412707|8.511301|5.945431|3.543889|4.927061|0.119122|2.931384|5.047970|2.489896|2.499555|3.939375|2.126902|2.115135|14.171011|36.858105|
|1.345149|1.459038|1.478509|1.583539|1.690403|1.664974|1.542974|1.494421|2.465431|1.885063|2.051856|0.055123|1.923915|1.820326|3.080356|2.451502|4.619681|3.619876|3.267029|4.028817|5.197140|5.906317|4.593363|2.823889|3.873832|0.090045|2.401257|4.170787|2.098163|2.114585|3.274363|1.847703|1.824507|8.587738|13.275101|36.858105|
|1.464840|1.593660|1.613594|1.727566|1.845635|1.820247|1.686809|1.629088|2.678031|2.047584|2.203863|0.058503|2.041686|1.953286|3.288047|2.676155|5.201214|3.853862|3.467300|4.505270|5.405644|5.684453|4.604341|2.766458|3.657129|0.082686|2.262886|3.859242|2.022341|2.080428|3.262944|1.842012|1.754977|8.799849|8.607636|14.204561|36.858105|
|1.585481|1.749380|1.783004|1.936835|2.090709|2.042601|1.862649|1.777438|3.083957|2.380803|2.606982|0.068628|2.378900|2.249483|3.738213|3.294947|6.500654|4.800634|4.536837|6.561177|7.982625|7.249765|5.787685|3.284881|4.193481|0.094137|2.521162|4.201442|2.260004|2.368645|3.825471|2.080776|1.923661|14.137611|8.622670|8.629608|14.214203|73.516695|
|17.536558|8.811226|5.889528|4.285994|3.944842|4.569029|6.644825|6.491621|4.168979|2.693555|2.270006|0.057301|2.246739|2.680234|4.796070|2.187081|4.200727|2.587488|1.771916|1.800002|1.600102|2.037299|2.146382|1.476418|1.828881|0.036548|1.253589|2.076894|1.281548|1.399865|2.065446|1.429926|1.185456|1.526337|1.385489|1.374552|1.504325|2.881442|0.500000|
|17.537136|8.812479|5.885129|4.286037|3.945701|4.568020|6.649205|6.494761|4.164671|2.640299|2.231259|0.056707|2.267516|2.734540|5.003564|2.088460|3.902594|2.490706|1.686515|1.682545|1.503112|1.940307|2.061240|1.437953|1.783177|0.035411|1.233501|2.042291|1.273190|1.392889|2.033786|1.441381|1.186364|1.422052|1.297117|1.275778|1.380323|2.645304|0.302706|0.500000|
|17.579914|8.859277|7.315767|4.774618|3.968034|4.176082|5.550764|4.726021|4.188843|2.773690|2.289209|0.058684|2.242887|2.645075|4.643453|2.146222|4.053210|2.535267|1.715068|1.718681|1.527996|1.962920|2.084200|1.447147|1.790610|0.035595|1.234845|2.042921|1.272550|1.394164|2.043802|1.440073|1.182730|1.446982|1.315915|1.297324|1.410180|2.705923|0.302072|0.302057|0.500000|
|7.048975|8.947288|17.702889|8.968326|5.664116|4.984203|5.655084|4.089560|5.702267|3.885724|2.965819|0.075871|2.801425|3.321208|5.512486|2.673590|5.022316|3.058383|2.011966|1.984935|1.729474|2.225116|2.405071|1.668584|2.033254|0.040087|1.396085|2.285898|1.451607|1.614643|2.387051|1.684140|1.338562|1.606898|1.443748|1.405645|1.530083|2.984863|0.153038|0.152861|0.226271|0.500000|
|4.105606|5.634571|8.954020|17.743171|8.883834|5.645009|4.944881|3.551408|9.738081|7.284206|4.605943|0.115482|4.082788|4.849993|7.234680|3.789097|6.909833|4.098290|2.560620|2.447551|2.070902|2.679391|2.984450|2.070232|2.459749|0.047857|1.675957|2.699041|1.765705|2.014303|3.026198|2.128931|1.604401|1.865735|1.649166|1.574051|1.711092|3.415542|0.099642|0.099676|0.114238|0.218150|0.500000|
|4.085183|5.637560|4.992001|5.672499|8.939226|17.803001|8.961849|7.109530|9.735266|4.706474|4.041008|0.092312|4.543240|6.943563|14.256757|3.760766|6.996503|4.238182|2.744880|2.672839|2.270627|2.912018|3.204486|2.191737|2.613810|0.051275|1.762878|2.845241|1.828766|2.067299|3.137477|2.125241|1.647861|2.055034|1.810489|1.729124|1.885867|3.773988|0.107643|0.107658|0.096043|0.108167|0.124217|0.500000|
|6.507655|6.676224|4.589437|3.967061|4.293019|5.906866|8.822463|17.538836|4.612114|2.753059|2.402890|0.059665|2.553816|3.204613|6.265761|2.276130|4.241572|2.727071|1.850268|1.844078|1.644501|2.122318|2.257951|1.571018|1.942861|0.038576|1.338745|2.210957|1.379236|1.511674|2.217821|1.556140|1.278417|1.549486|1.408717|1.379372|1.491901|2.873383|0.173285|0.211487|0.133158|0.107749|0.090405|0.153949|0.500000|
|6.508716|6.677298|4.591853|3.967320|4.292553|5.911149|8.818326|17.537594|4.618471|2.813780|2.451650|0.060361|2.524438|3.118514|5.872781|2.405754|4.633167|2.855828|1.964998|2.002311|1.774186|2.251335|2.371456|1.621670|2.002514|0.040061|1.364600|2.255151|1.389936|1.520668|2.259178|1.541807|1.277324|1.687447|1.524197|1.506900|1.652363|3.184023|0.211411|0.173390|0.133163|0.107812|0.090382|0.153968|0.302617|0.500000|
|4.726041|5.556982|4.195005|3.991695|4.790540|7.370447|8.854136|17.594320|5.302236|3.055809|2.720543|0.065933|2.941466|3.795883|7.657344|2.636022|4.966999|3.138364|2.134022|2.138223|1.887366|2.416977|2.575327|1.771565|2.174623|0.043233|1.482994|2.437515|1.520013|1.673687|2.487856|1.705152|1.393262|1.769136|1.592952|1.554184|1.691271|3.289570|0.132933|0.132996|0.103907|0.096182|0.090777|0.229230|0.302046|0.301794|0.500000|
|2.975536|3.807289|4.613512|6.585641|7.001575|4.887595|3.890611|3.058265|12.403092|17.661267|8.726315|0.191428|5.762800|5.995066|7.922513|7.342798|13.974082|6.613211|3.859750|3.624202|2.859131|3.626641|4.172217|2.779521|3.169702|0.061403|2.088159|3.296539|2.181045|2.553487|4.054487|2.622826|1.911215|2.472006|2.107474|1.972086|2.172240|4.511349|0.078177|0.073959|0.079947|0.113398|0.205785|0.122817|0.075372|0.079857|0.083535|0.500000|
|2.827676|3.581343|4.439779|6.485639|6.538989|4.463038|3.595783|2.840371|12.314889|17.540469|8.821213|0.226581|6.522618|6.461988|8.376787|5.604401|8.979214|5.775307|3.310567|2.973588|2.457827|3.245295|3.781888|2.656629|3.051152|0.058118|2.066575|3.253966|2.225203|2.636608|4.039410|2.851442|1.982811|2.128171|1.858454|1.728352|1.859919|3.789169|0.072052|0.072246|0.076922|0.111628|0.228273|0.112229|0.072517|0.072324|0.077422|0.300368|0.500000|
|2.189122|2.642414|2.783557|3.411946|4.249671|3.814485|2.987364|2.643747|8.194990|5.723928|8.560005|0.188059|17.615700|8.882666|12.702102|7.173039|9.540179|9.335788|4.919055|3.935256|3.245254|4.495845|5.660455|4.092904|4.412925|0.081204|2.919032|4.413489|3.202003|4.035668|6.592580|4.255811|2.702259|2.647362|2.285553|2.040172|2.149925|4.478201|0.058154|0.058312|0.057055|0.068661|0.093592|0.116884|0.067113|0.066877|0.078749|0.129280|0.133720|0.500000|
|2.257708|2.741298|2.990456|3.765233|4.505999|3.782632|2.997862|2.578555|8.858541|6.519444|8.736337|0.222673|17.555626|8.985388|12.055084|5.567245|7.741376|6.844724|3.735814|3.100263|2.629567|3.654073|4.465434|3.345184|3.745231|0.068875|2.579116|3.953067|2.914688|3.649348|5.508459|4.237841|2.563594|2.210985|1.947295|1.763842|1.851682|3.779801|0.058656|0.060391|0.059634|0.074452|0.107385|0.109128|0.066844|0.064517|0.074650|0.134146|0.172866|0.302608|0.500000|
|1.851673|2.165557|2.323766|2.774162|3.145984|2.792544|2.333122|2.087076|5.527168|4.724056|7.528614|0.217821|6.513942|4.466543|6.640019|9.229585|10.786200|25.934058|9.453526|5.741694|4.581562|6.745179|10.306030|7.357796|6.609260|0.116195|4.012753|5.724227|4.331651|5.945074|12.909374|5.408365|3.320057|3.399645|2.852192|2.435906|2.537353|5.458108|0.049898|0.048750|0.049361|0.059455|0.079643|0.081093|0.053261|0.054773|0.060588|0.120092|0.115070|0.205810|0.155906|0.500000|
|1.938243|2.224905|2.317584|2.632989|2.929644|2.759702|2.399557|2.200757|4.558863|3.649478|4.192481|0.105331|3.568139|3.279363|5.179473|6.299409|13.899449|8.828175|8.756830|17.901229|8.497568|7.905452|8.020393|4.174491|4.714725|0.098111|2.783014|4.395323|2.623543|2.938809|5.081792|2.622487|2.172764|6.430231|4.423186|3.892076|4.629177|12.131828|0.054275|0.049946|0.051369|0.059415|0.072872|0.079766|0.054615|0.060434|0.063738|0.110371|0.085869|0.104611|0.083926|0.136070|0.500000|
|1.531203|1.741166|1.872480|2.167111|2.334698|2.097095|1.826573|1.659003|3.833642|3.154056|4.055910|0.133831|4.079796|3.089490|4.934221|3.727207|5.394765|5.998840|3.745792|2.963918|2.764124|4.250709|5.356731|4.925320|5.644847|0.095158|4.304282|6.156397|5.926946|8.953888|9.767932|17.549015|5.022484|2.290768|2.087145|1.824476|1.833544|3.693718|0.040793|0.041080|0.041444|0.049223|0.063392|0.059752|0.043725|0.043381|0.047572|0.078892|0.087608|0.117478|0.124487|0.158077|0.074177|0.500000|
|1.574139|1.797024|1.900132|2.195160|2.434019|2.232303|1.923908|1.766255|4.025081|3.130688|4.051705|0.122919|4.603311|3.439568|5.670487|3.723117|5.390050|5.986321|3.742745|2.963049|2.764152|4.250523|5.353428|4.923144|5.646441|0.095192|4.307437|6.160933|5.934226|8.954234|9.751067|17.549520|5.031999|2.291234|2.088003|1.825147|1.833935|3.694014|0.041960|0.042546|0.042135|0.049293|0.062745|0.065077|0.046564|0.045802|0.051390|0.076985|0.084714|0.143602|0.142131|0.157421|0.074159|0.302186|0.500000|
|1.389861|1.560721|1.650592|1.872157|2.020710|1.864728|1.645489|1.522979|3.226536|2.534612|3.101206|0.095518|3.291886|2.637861|4.399018|2.927486|4.413548|4.635836|3.086496|2.537858|2.456015|3.823293|4.592451|4.308926|5.458195|0.092128|4.623931|6.770051|7.135360|8.807276|7.759759|17.649613|7.294501|2.086219|1.947284|1.706168|1.689972|3.346920|0.037151|0.037639|0.037518|0.043449|0.053891|0.053670|0.040464|0.039861|0.043937|0.064108|0.070048|0.097830|0.099893|0.115005|0.063630|0.300790|0.300819|0.500000|
|1.150487|1.265737|1.315503|1.452139|1.554177|1.475722|1.332879|1.263312|2.389963|1.848360|2.166142|0.063701|2.216474|1.901167|3.242976|2.220682|3.542504|3.549459|2.656398|2.316629|2.439980|3.964941|4.301589|4.062577|6.603543|0.116053|7.478429|14.007731|8.950246|5.620955|5.713447|4.650160|17.640065|2.154578|2.120521|1.829455|1.739178|3.352111|0.031239|0.031166|0.031070|0.034867|0.041254|0.042647|0.033559|0.033652|0.036536|0.048833|0.050058|0.066728|0.062799|0.081109|0.057213|0.109754|0.109931|0.143454|0.500000|
|1.202745|1.329480|1.396109|1.553302|1.652923|1.547131|1.391588|1.304587|2.564617|2.013450|2.377138|0.071794|2.416814|2.035047|3.427823|2.368851|3.715869|3.763006|2.704352|2.312672|2.356568|3.756589|4.240672|4.008726|5.876588|0.100925|5.841777|9.323664|8.809260|6.591056|6.169797|6.224092|17.553140|2.053755|1.979552|1.723726|1.667137|3.242297|0.032452|0.032544|0.032603|0.037095|0.044579|0.044370|0.034706|0.034596|0.037525|0.052673|0.055312|0.071505|0.070036|0.088169|0.057556|0.148401|0.133410|0.215804|0.302172|0.500000|
|1.224058|1.354858|1.408504|1.564787|1.688554|1.600479|1.434352|1.355885|2.622156|2.009194|2.378753|0.070021|2.516210|2.128387|3.652132|2.370143|3.717659|3.763726|2.705535|2.313977|2.357955|3.758355|4.242068|4.010034|5.878290|0.100963|5.841719|9.320466|8.809959|6.593272|6.171135|6.228470|17.554154|2.055041|1.980911|1.724839|1.668119|3.244125|0.033052|0.033281|0.032958|0.037150|0.044387|0.046467|0.036102|0.035813|0.039347|0.052139|0.054609|0.076432|0.072854|0.088152|0.057591|0.133291|0.148886|0.215675|0.302170|0.301498|0.500000|
|1.293302|1.413585|1.442602|1.564648|1.681497|1.639333|1.499623|1.442966|2.505631|1.930642|2.172505|0.059302|2.058101|1.888754|3.188717|2.588257|4.657595|4.044337|3.778125|4.344514|6.394129|8.661641|5.953287|3.707822|5.439189|0.137492|3.238655|5.703560|2.666481|2.612024|4.050617|2.188377|2.263868|8.831327|17.812291|8.446884|5.856241|10.452573|0.036300|0.034271|0.034661|0.038026|0.043503|0.047550|0.037206|0.039848|0.041862|0.054975|0.049404|0.061693|0.052850|0.077590|0.105487|0.059124|0.059157|0.056004|0.063863|0.058411|0.058454|0.500000|
|1.260103|1.356414|1.370569|1.457548|1.547411|1.530023|1.429317|1.392430|2.239887|1.704813|1.840387|0.049660|1.739198|1.654497|2.817918|2.155201|4.033149|3.158250|2.774248|3.289278|4.066782|4.894646|3.929917|2.497999|3.483069|0.080607|2.212051|3.904584|1.937070|1.931222|2.935132|1.699566|1.709846|5.848759|8.457303|17.805668|8.822257|10.454414|0.035808|0.033306|0.033824|0.036340|0.040236|0.044051|0.035889|0.039082|0.040153|0.049368|0.043770|0.051043|0.044669|0.059849|0.088778|0.046541|0.046561|0.043999|0.047981|0.044963|0.044992|0.192940|0.500000|
|1.486952|1.606802|1.619557|1.717513|1.823310|1.809358|1.694217|1.643849|2.608109|1.982658|2.092891|0.055331|1.938487|1.883379|3.180745|2.509635|4.947564|3.518539|3.061286|3.890654|4.317785|4.686749|3.978056|2.437078|3.201766|0.071138|2.017527|3.445519|1.831401|1.891106|2.938962|1.700434|1.607092|6.045129|5.819482|8.610597|17.838544|16.532390|0.042699|0.038822|0.039788|0.042768|0.047082|0.051820|0.041766|0.046719|0.047211|0.058870|0.050126|0.056157|0.048893|0.064424|0.115768|0.047210|0.047218|0.043510|0.044158|0.042637|0.042661|0.123118|0.195097|0.500000|
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