Version2.0 2019-11-28T03:55:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1OC[C@@H](C[NH+](Cc2[nH]c(=O)c3c(csc3n2)c4ccc(c(c4)C)C)CC(C)C)O C36207567 RHF 6-31G(d) (6D,7F) Cc1ccccc1OC[C@@H](C[NH+](Cc2[nH]c(=O)c3c(csc3n2)c4ccc(c(c4)C)C)CC(C)C)O C01[X(C29H36N3O3S1)] 210 C1 616 CC(C[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccc(c(c1)C)C)C[C@H](COc1ccccc1C)O)C CC(C[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccc(c(c1)C)C)C[C@H](COc1ccccc1C)O)C CC(C)C[NH+](C[C@@H](O)COc1ccccc1C)CC2=Nc3scc(c4ccc(C)c(C)c4)c3C(=O)N2 InChIKey=AROOQDWVQRQWCT-HSZRJFAPSA-O InChI=1S/C29H35N3O3S/c1-18(2)13-32(14-23(33)16-35-25-9-7-6-8-20(25)4)15-26-30-28(34)27-24(17-36-29(27)31-26)22-11-10-19(3)21(5)12-22/h6-12,17-18,23,33H,13-16H2,1-5H3,(H,30,31,34)/p+1/t23-/m1/s1 InChI=1/C29H35N3O3S/c1-18(2)13-32(14-23(33)16-35-25-9-7-6-8-20(25)4)15-26-30-28(34)27-24(17-36-29(27)31-26)22-11-10-19(3)21(5)12-22/h6-12,17-18,23,33H,13-16H2,1-5H3,(H,30,31,34)/p+1/t23-/m1/s1/fC29H36N3O3S/h30,32H/q+1 Cc1ccccc1OC[C@@H](C[NH+](Cc2[nH]c(=O)c3c(csc3n2)c4ccc(c(c4)C)C)CC(C)C)O C01[X(C29H36N3O3S1)] 210 C01 616 CC(C[NH+](Cc1nc2scc(c2c(=O)[nH]1)c1ccc(c(c1)C)C)C[C@H](COc1ccccc1C)O)C CC(C[NH](CC1=N[C@@H]2SC=C([C@@H]2C(=O)N1)c1ccc(c(c1)C)C)C[C@H](COc1ccccc1C)O)C CC(C)C[NH](C[C@@H](O)COc1ccccc1C)CC2=N[C@@H]3SC=C([C@@H]3C(=O)N2)c4ccc(C)c(C)c4 InChIKey=DQNXLPUZCITQQI-STJVVJFLSA-N InChI=1S/C29H38N3O3S/c1-18(2)13-32(14-23(33)16-35-25-9-7-6-8-20(25)4)15-26-30-28(34)27-24(17-36-29(27)31-26)22-11-10-19(3)21(5)12-22/h6-12,17-18,23,27,29,32-33H,13-16H2,1-5H3,(H,30,31,34)/t23-,27-,29-/m1/s1 InChI=1/C29H38N3O3S/c1-18(2)13-32(14-23(33)16-35-25-9-7-6-8-20(25)4)15-26-30-28(34)27-24(17-36-29(27)31-26)22-11-10-19(3)21(5)12-22/h6-12,17-18,23,27,29,32-33H,13-16H2,1-5H3,(H,30,31,34)/t23-,27-,29-/m1/s1/f/h30H 3901.5674247632 -1904.4143891 1-A 29643.6316 135 481 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.07505 -20.69774 -20.69390 -20.64274 -15.84146 -15.75080 -15.70959 -11.48982 -11.47688 -11.45993 -11.43745 -11.42601 -11.42249 -11.42142 -11.40420 -11.37777 -11.37185 -11.35247 -11.35128 -11.34494 -11.33510 -11.33166 -11.31177 -11.30866 -11.30602 -11.30580 -11.30341 -11.29542 -11.29478 -11.29457 -11.29321 -11.28964 -11.28958 -11.28290 -11.27388 -11.27175 -9.08556 -6.76804 -6.76705 -6.76539 -1.53255 -1.52462 -1.50640 -1.48596 -1.45188 -1.34889 -1.28135 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506.24774 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 9.0503 13.5427 15.5307 21.1729 30.7916 35.5473 36.9506 45.6591 54.9298 56.6483 67.2776 80.6431 108.2474 127.3898 130.5114 140.8523 146.9627 163.1450 167.7660 182.0051 183.6334 192.8934 198.7066 200.7499 211.2469 226.0753 243.8777 253.6607 266.9187 281.5576 300.8384 305.7390 313.7250 320.6060 327.9117 340.6238 351.0339 357.7770 406.9021 417.8168 427.3277 440.9583 472.5657 478.6365 482.5190 493.3586 494.2315 511.9756 517.3578 524.1453 542.9870 555.1502 572.0157 584.7995 601.3380 607.2168 615.0132 639.9212 644.4475 653.8734 668.0146 684.0836 722.0093 738.5143 769.5853 785.3967 794.3339 798.0153 810.4796 837.7832 853.2375 873.6146 875.6482 882.3278 903.5306 912.0978 930.5313 950.0904 953.4618 965.6378 977.9167 994.0531 1005.6739 1015.0267 1020.2157 1024.5841 1037.0685 1053.3923 1061.0979 1065.1469 1070.3688 1082.0803 1092.1011 1097.3572 1110.5246 1116.9078 1117.4355 1123.5005 1149.6800 1150.7701 1156.1635 1170.4733 1173.5168 1182.4810 1194.1219 1202.4277 1222.1255 1235.4585 1242.3935 1253.0248 1258.1566 1260.8625 1286.9279 1300.0846 1309.5153 1310.9892 1311.6306 1322.5318 1337.3747 1339.2536 1350.5412 1355.3044 1362.6268 1386.6034 1396.0930 1407.3358 1411.3848 1421.7738 1439.4562 1441.9717 1450.4651 1471.9216 1475.6671 1499.4415 1519.6913 1524.6553 1546.9635 1561.0369 1562.5574 1566.4638 1569.6904 1571.6861 1574.7549 1576.4298 1585.2818 1589.0194 1611.5073 1613.6065 1617.8092 1625.0794 1625.1570 1629.7839 1632.3517 1637.3677 1639.7518 1639.7615 1641.5183 1644.3504 1644.5318 1647.2041 1648.7969 1652.9299 1665.0522 1665.2449 1666.6630 1678.9881 1692.2504 1737.4134 1772.9574 1793.0659 1812.3089 1819.6210 1843.1448 2011.1950 3203.3194 3204.0990 3205.1357 3206.8823 3207.3644 3209.0734 3212.6766 3237.3020 3256.1788 3257.2624 3258.4832 3259.6133 3267.0330 3268.8499 3275.6743 3277.3192 3283.0445 3284.0471 3289.4076 3294.5896 3295.2288 3300.7688 3334.2385 3343.6878 3361.9843 3364.2451 3366.6663 3375.0556 3375.9253 3390.6997 3392.0816 3401.4241 3448.5871 3657.3041 3825.6541 4067.3804 5.7627 4.0662 5.2800 4.5624 4.5972 3.8423 3.2317 5.5341 4.4244 4.0589 4.6375 4.3934 5.2242 1.0794 3.6943 4.5383 5.5238 1.4729 1.6722 2.0582 2.0669 3.8973 3.4080 2.9336 3.2406 2.8648 1.1536 1.6512 2.8163 3.5400 3.1844 3.9044 2.9228 2.9382 2.7836 4.2730 3.8164 4.4877 4.3894 4.2631 2.3930 2.3771 4.2137 1.2585 3.2605 2.8654 2.9553 3.0135 3.0429 3.1975 3.0159 4.8170 5.0918 3.6346 3.4977 4.7996 4.4320 4.7245 5.4313 1.7644 6.3383 4.6388 3.8155 5.0536 2.9076 4.3273 2.8020 2.8618 4.5252 4.5745 1.3514 3.3482 6.2952 5.7365 4.7981 1.3496 1.7551 1.8949 2.5370 1.3700 2.3949 2.6923 2.7798 1.4574 1.5666 1.8308 1.9795 1.4656 1.4079 2.3626 2.2216 1.3623 1.6016 2.1755 1.7118 1.3281 3.1902 2.4630 2.4494 2.7969 1.4404 2.7504 1.4965 1.6155 3.2889 3.2979 2.1293 2.3856 2.0218 1.9327 1.9367 3.0290 2.6425 1.8102 2.0465 2.8303 2.4184 3.0408 1.5331 1.8788 1.4889 1.3419 2.1494 1.5572 1.5913 1.6688 1.3166 3.5565 1.4284 1.4701 1.1943 1.3212 1.2318 1.3923 1.7033 2.4053 1.2623 1.3344 1.3710 1.2979 1.2542 1.3279 1.9588 1.3638 1.3054 1.3196 1.9754 1.8543 2.5291 1.1537 1.0493 1.0461 1.1549 1.1292 1.0504 1.1467 1.0540 1.2377 1.1426 1.0927 1.0881 1.1168 1.1270 1.2621 2.2531 1.7974 3.1999 6.5108 6.2306 5.6365 5.9417 5.6508 8.4542 10.0722 1.0561 1.0387 1.0405 1.0561 1.0377 1.0668 1.0417 1.0899 1.1021 1.0998 1.1020 1.1066 1.0890 1.0792 1.0795 1.0833 1.0630 1.1020 1.1016 1.1033 1.1017 1.1025 1.1054 1.1098 1.0913 1.0901 1.0885 1.1011 1.0912 1.0953 1.0943 1.0972 1.0955 1.0767 1.0798 1.0662 0.0003 0.0004 0.0008 0.0012 0.0026 0.0029 0.0026 0.0068 0.0079 0.0077 0.0124 0.0168 0.0361 0.0103 0.0371 0.0530 0.0703 0.0231 0.0277 0.0402 0.0411 0.0854 0.0793 0.0697 0.0852 0.0863 0.0404 0.0626 0.1182 0.1653 0.1698 0.2150 0.1695 0.1779 0.1764 0.2921 0.2771 0.3385 0.4282 0.4385 0.2575 0.2723 0.5544 0.1699 0.4473 0.4109 0.4253 0.4654 0.4799 0.5176 0.5239 0.8747 0.9816 0.7323 0.7452 1.0427 0.9877 1.1399 1.3290 0.4445 1.6665 1.2790 1.1719 1.6239 1.0146 1.5727 1.0417 1.0738 1.7514 1.8917 0.5797 1.5056 2.8439 2.6312 2.3079 0.6615 0.8954 1.0078 1.3589 0.7526 1.3494 1.5675 1.6565 0.8847 0.9607 1.1323 1.2543 0.9582 0.9339 1.5793 1.4996 0.9398 1.1255 1.5435 1.2439 0.9761 2.3470 1.8318 1.9075 2.1822 1.1344 2.2201 1.2142 1.3309 2.7631 2.8093 1.8738 2.1454 1.8387 1.7879 1.8062 2.8371 2.5786 1.8027 2.0677 2.8661 2.4513 3.1337 1.6156 1.9854 1.6000 1.4523 2.3514 1.7640 1.8274 1.9474 1.5452 4.2358 1.7438 1.8010 1.4804 1.6866 1.5804 1.8443 2.3177 3.2943 1.7797 1.9159 1.9723 1.8765 1.8207 1.9326 2.8620 1.9969 1.9330 1.9632 3.0226 2.8446 3.9000 1.7952 1.6329 1.6371 1.8131 1.7837 1.6641 1.8166 1.6733 1.9717 1.8207 1.7468 1.7428 1.7978 1.8410 2.0621 3.6875 2.9853 5.3990 11.5795 11.5392 10.6771 11.4981 11.0236 16.9216 24.0040 6.3851 6.2829 6.2976 6.3992 6.2898 6.4726 6.3346 6.7299 6.8845 6.8750 6.8939 6.9276 6.8486 6.7942 6.8244 6.8557 6.7507 7.0024 7.0227 7.0560 7.0486 7.0769 7.2403 7.3108 7.2674 7.2693 7.2690 7.3900 7.3272 7.4194 7.4188 7.4792 7.6763 8.4854 9.3113 10.3924 0.2970 0.1751 0.0493 0.4199 0.7144 0.1640 0.0768 2.2728 0.5670 0.1261 0.9201 2.2020 1.2880 0.1028 3.3434 0.9106 2.2428 1.4751 0.0475 2.8163 4.2771 1.9264 1.0627 4.0198 1.7828 1.7996 1.1149 0.3970 0.9437 1.8762 2.0901 2.0841 2.3232 0.6785 0.0588 3.0356 1.4097 3.5986 5.8051 9.6170 1.3595 1.4522 14.7383 132.4706 8.7825 3.3706 4.0238 5.4050 6.8468 13.7176 17.2909 5.5206 3.0240 1.0570 0.1937 0.8253 1.5519 1.2074 16.7386 53.7033 5.7396 14.1492 1.5163 11.0437 33.4666 9.2774 0.8467 3.0137 5.2691 11.8509 72.3329 10.6036 28.1600 33.5380 14.0117 37.6568 19.4507 10.2646 1.9371 0.9889 5.9350 30.7474 47.8361 3.9566 11.5011 7.3300 22.4952 2.0688 8.0700 33.5645 8.2462 0.2365 8.4743 3.0491 3.6711 0.3518 17.8119 23.7477 12.6148 24.9910 3.4542 61.6706 0.3705 0.0258 4.8674 78.4363 0.4681 17.3580 0.1823 8.7549 38.7642 9.5311 20.6426 0.9566 23.8158 51.6791 3.5924 28.4961 29.3117 0.1692 32.3899 54.3218 15.8910 25.5541 213.9490 118.9989 26.6009 67.7631 6.7749 5.5879 39.5536 9.8220 22.7710 3.9584 53.0096 11.2616 55.4467 8.7032 4.0106 1.2342 4.2109 26.8036 12.4989 0.5310 77.0018 31.9287 16.2277 35.9250 10.3841 17.8789 0.6933 6.2204 39.0004 15.7056 12.9794 1.3751 17.1342 5.2543 9.3502 8.9640 14.4382 22.6982 16.4032 65.8761 31.7606 58.4079 85.1868 77.6645 11.3940 23.3289 25.5030 3.1843 295.8584 748.5724 21.2519 8.2237 38.5624 21.0555 68.1330 41.6092 4.9618 4.2177 0.5944 20.6573 45.5229 55.5901 19.2630 20.9994 8.2313 28.0849 14.5155 34.1444 14.9657 2.6288 25.7388 34.6945 6.4519 9.6756 21.4237 11.2479 5.1770 2.0586 9.2711 17.7388 33.4509 9.6989 5.1713 80.6324 108.4516 165.3574 3.3618 6.2227 1.7355 2.0374 3.5236 1.3220 0.4995 1.2267 3.6449 1.0660 1.2637 0.4131 1.2594 0.2066 0.3208 1.5673 0.5851 0.1956 0.6435 0.2225 0.6205 2.1308 1.9327 0.6206 1.4120 1.4401 0.1686 1.2490 1.7012 0.4458 2.5783 4.1832 1.1041 0.4954 0.8153 1.9819 0.8582 2.1851 2.7790 3.6146 1.0957 1.1328 2.8494 1.2302 2.2045 0.4418 2.0877 0.7236 2.1871 1.9078 1.2045 2.6610 7.8161 0.6382 0.2288 3.6120 1.3306 3.3383 6.1878 3.3223 1.5378 4.9195 1.1802 0.8798 1.7249 7.3240 0.2506 0.7570 27.3241 19.1303 0.4556 5.2969 3.5443 9.4216 0.3872 2.3648 1.2459 5.0619 1.4269 2.6832 2.7204 3.0403 7.7648 2.2703 1.3490 3.4026 12.5133 5.3326 0.8432 9.0248 0.7295 1.9615 3.8055 2.5142 1.0574 0.4389 6.8805 2.5127 11.9351 6.5937 0.9836 5.8417 0.6066 0.1173 8.9011 8.5977 6.5499 7.1617 4.3205 12.5080 3.2028 0.9193 6.6421 2.4753 2.7623 1.6097 2.9414 1.8626 0.3961 3.2095 21.9506 14.5309 18.7368 17.9227 18.3541 8.8292 17.1917 10.9062 5.8772 3.3319 6.0099 8.8279 5.6071 7.5625 19.2649 17.9280 3.9618 16.2012 15.4202 8.0043 7.8603 7.0774 4.0762 31.0566 9.5822 13.4526 140.6057 64.0024 192.7566 4.3646 26.4087 18.1369 24.6416 4.7510 12.5026 11.5671 8.5767 8.4983 12.1123 16.3597 10.2171 11.4231 7.7379 14.5974 39.0497 1.6519 109.4555 33.3271 37.9197 13.3593 25.0094 195.8139 136.1109 30.8394 54.8539 7.3536 133.4591 57.6294 326.1059 54.7662 173.7413 85.5615 2.8548 77.5188 177.4763 18.1374 30.0510 39.0610 27.8691 74.7742 170.1600 28.5300 87.3122 13.2502 68.4684 147.3944 75.9329 26.0839 16.7474 105.7803 50.1682 35.9733 97.1799 95.4145 71.8402 211.6544 77.6070 19.0598 60.9398 67.1444 0.7489 0.7498 0.7478 0.7346 0.7309 0.7500 0.7078 0.7480 0.7496 0.7482 0.7463 0.6429 0.7282 0.7436 0.7422 0.5895 0.7254 0.4025 0.7146 0.5867 0.7384 0.0919 0.6998 0.6072 0.6962 0.5899 0.1600 0.2946 0.6096 0.6933 0.4118 0.7350 0.7470 0.4108 0.3272 0.6047 0.6364 0.7491 0.6446 0.3041 0.3651 0.0786 0.4176 0.6980 0.1421 0.6900 0.3165 0.7433 0.1631 0.5723 0.6162 0.5058 0.1889 0.2352 0.7045 0.6311 0.6814 0.3886 0.2256 0.7495 0.5876 0.6050 0.4676 0.4790 0.7237 0.3862 0.7498 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12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 13866.4392 42001.6677 50325.0471 0.99993 0.01202 0.00000 -0.01202 0.99991 -0.00542 -0.00007 0.00542 0.99999 1 0.00625 0.00206 0.00172 0.13015 0.04297 0.03586 13.02 19.48 22.35 30.46 44.30 51.14 53.16 65.69 79.03 81.50 96.80 116.03 155.74 183.29 187.78 202.65 211.45 234.73 241.38 261.86 264.21 277.53 285.89 288.83 303.94 325.27 350.89 364.96 384.04 405.10 432.84 439.89 451.38 461.28 471.79 490.08 505.06 514.76 585.44 601.15 614.83 634.44 679.92 688.65 694.24 709.83 711.09 736.62 744.36 754.13 781.24 798.74 823.00 841.40 865.19 873.65 884.87 920.70 927.22 940.78 961.12 984.24 1038.81 1062.56 1107.26 1130.01 1142.87 1148.17 1166.10 1205.38 1227.62 1256.94 1259.86 1269.47 1299.98 1312.31 1338.83 1366.97 1371.82 1389.34 1407.00 1430.22 1446.94 1460.40 1467.86 1474.15 1492.11 1515.60 1526.68 1532.51 1540.02 1556.87 1571.29 1578.85 1597.80 1606.98 1607.74 1616.47 1654.13 1655.70 1663.46 1684.05 1688.43 1701.33 1718.08 1730.03 1758.37 1777.55 1787.53 1802.82 1810.21 1814.10 1851.60 1870.53 1884.10 1886.22 1887.14 1902.83 1924.18 1926.89 1943.13 1949.98 1960.52 1995.01 2008.67 2024.84 2030.67 2045.62 2071.06 2074.68 2086.90 2117.77 2123.16 2157.36 2186.50 2193.64 2225.74 2245.98 2248.17 2253.79 2258.43 2261.31 2265.72 2268.13 2280.87 2286.24 2318.60 2321.62 2327.67 2338.13 2338.24 2344.90 2348.59 2355.81 2359.24 2359.25 2361.78 2365.85 2366.11 2369.96 2372.25 2378.20 2395.64 2395.92 2397.96 2415.69 2434.77 2499.75 2550.89 2579.82 2607.51 2618.03 2651.87 2893.66 4608.86 4609.98 4611.48 4613.99 4614.68 4617.14 4622.33 4657.76 4684.92 4686.47 4688.23 4689.86 4700.53 4703.15 4712.96 4715.33 4723.57 4725.01 4732.72 4740.18 4741.10 4749.07 4797.23 4810.82 4837.15 4840.40 4843.88 4855.95 4857.20 4878.46 4880.45 4893.89 4961.75 5262.04 5504.26 5852.05 0.655033 0.688789 0.689733 0.583864 -1903.759357 -1903.725600 -1903.724656 -1903.830525 3.550864D-04 MUNgauss RevisionA1.9 retrievium 28-Nov-2019 DUDE Cc1ccccc1OC[C@@H](C[NH+](Cc2[nH]c(=O)c3c(csc3n2)c4ccc(c(c4)C)C)CC(C)C)O C36207567 RHF 6-31G(d) (6D,10F) C1 506.247712 |X|Y|Z| 146.747521 41.829010 79.743646 78.810028 27 6 7 8 16 22 3 1 1 |36.858105| |12.621839|36.858105| |7.539826|13.775503|36.858105| |4.996599|7.863543|13.705189|36.858105| |4.425875|6.815814|7.971987|13.830879|36.858105| |5.008248|7.861489|6.903140|7.939141|13.698483|36.858105| |7.541906|13.638761|8.011179|6.894563|7.957837|13.797702|36.858105| |6.918475|8.147462|5.291941|4.610235|5.187351|7.871096|13.897541|73.516695| |4.601612|5.240828|3.990586|3.791750|4.511749|6.724854|7.943252|24.326952|36.858105| |4.085379|4.125304|3.224570|2.990178|3.347049|4.417104|5.251729|14.670577|12.516968|36.858105| |4.205024|4.072422|3.176290|2.895255|3.164182|4.063572|4.934174|13.276776|8.943027|17.552022|0.500000| |3.084935|3.165095|2.629726|2.527715|2.856317|3.605307|3.897117|9.201094|7.574755|12.506194|0.247680|36.858105| |2.724335|2.682574|2.267051|2.155547|2.362511|2.854479|3.114859|7.044283|4.945070|7.602351|0.188598|12.605498|53.358707| |2.913010|2.783967|2.325395|2.171985|2.343082|2.821746|3.169805|7.284297|4.836271|7.809375|0.218922|9.342763|25.633524|0.500000| |2.314552|2.295673|1.989251|1.916294|2.095688|2.471403|2.623890|5.655238|3.861732|5.140712|0.139768|7.681683|17.451011|0.262412|36.858105| |2.332824|2.289052|1.984459|1.899238|2.057405|2.409413|2.581214|5.529324|3.651362|4.747226|0.143881|6.054078|10.553270|0.217456|12.603430|36.858105| |2.044822|2.024599|1.790491|1.732589|1.873161|2.151796|2.258721|4.673920|3.030092|3.647754|0.108930|4.464624|7.027406|0.140316|7.804499|14.149273|53.358707| |1.892741|1.891141|1.688277|1.648313|1.788731|2.040964|2.112182|4.313675|2.809657|3.301354|0.095242|4.125404|6.437153|0.122632|7.315402|9.281935|25.937164|0.500000| |1.952361|1.922092|1.715311|1.656768|1.772622|2.007806|2.108787|4.284089|2.689731|3.126603|0.095810|3.550984|5.295676|0.110489|5.028407|7.793883|18.344710|0.259866|36.858105| |1.751678|1.736018|1.570244|1.528917|1.633436|1.826089|1.893161|3.772778|2.351057|2.652344|0.079558|2.994810|4.386048|0.089761|4.074883|5.459127|11.572386|0.221059|16.041030|73.516695| |2.149549|2.080290|1.839870|1.752328|1.855387|2.106201|2.256912|4.619981|2.828200|3.317601|0.106615|3.543086|5.202452|0.114872|4.494682|6.982748|10.910054|0.161675|13.052089|14.118509|36.858105| |2.050809|1.970067|1.763319|1.674385|1.749244|1.952667|2.092736|4.187703|2.482769|2.810590|0.090067|2.876036|4.110525|0.090877|3.361648|4.582487|6.845307|0.114545|7.241212|10.771038|13.123928|36.858105| |2.255864|2.123549|1.887339|1.765739|1.822783|2.034252|2.221194|4.456270|2.570167|2.912188|0.095609|2.849150|4.034064|0.091584|3.132047|4.112542|5.603525|0.095175|5.125836|7.667027|8.289993|14.135752|36.858105| |2.730110|2.511843|2.166001|1.990891|2.058106|2.349522|2.644856|5.522335|3.165519|3.777144|0.131662|3.546601|5.072342|0.121818|3.738733|4.959286|5.979318|0.099173|4.826310|6.818880|7.415988|7.345323|10.995651|388.023441| |2.491235|2.373244|2.053305|1.927852|2.039798|2.356291|2.588097|5.473326|3.348849|4.146699|0.140696|4.298412|6.429014|0.151757|5.226944|8.509695|9.888426|0.146106|7.867882|9.517584|13.948069|8.119043|7.784489|78.938531|36.858105| |2.629628|2.521626|2.150885|2.022112|2.166388|2.552276|2.815520|6.161702|3.940545|5.325940|0.179015|5.930176|9.748757|0.243857|7.956861|14.993057|11.207117|0.164967|6.643774|8.369775|7.789101|5.182821|5.013448|50.121407|13.832583|53.358707| |1.789099|1.735152|1.580209|1.515496|1.579321|1.735745|1.831205|3.585147|2.117758|2.331917|0.072577|2.404446|3.404379|0.073417|2.795412|3.581148|5.578642|0.099961|5.814390|10.437855|7.234354|12.799037|7.658437|33.657457|5.043026|5.140605|36.858105| |1.699144|1.675475|1.539279|1.494215|1.568105|1.715075|1.780797|3.447916|2.056083|2.218041|0.067996|2.315719|3.210402|0.067708|2.656045|3.322046|5.323918|0.098941|5.447934|10.821746|5.809172|7.586350|5.310177|27.060981|4.208403|4.577593|13.750929|36.858105| |1.523337|1.505848|1.399348|1.364976|1.425992|1.540953|1.588341|3.034754|1.796551|1.912530|0.057774|1.990749|2.755862|0.057715|2.257250|2.709429|4.271080|0.082281|4.057508|8.275393|4.128733|5.048643|4.004974|21.530389|3.237412|3.693085|7.950635|13.774288|36.858105| |1.437333|1.408541|1.312926|1.274837|1.320883|1.419562|1.470524|2.801771|1.640848|1.751269|0.052790|1.806650|2.527615|0.053294|2.047828|2.421846|3.733268|0.072103|3.440122|6.822435|3.576855|4.440494|3.728303|20.019721|2.904818|3.336672|6.796434|7.871163|13.725033|36.858105| |1.490257|1.442951|1.337545|1.287385|1.326869|1.430477|1.497899|2.872883|1.670962|1.805189|0.054836|1.847220|2.618744|0.055947|2.109409|2.516705|3.817380|0.072477|3.526904|6.722151|3.846285|5.040720|4.327415|22.304690|3.141613|3.537057|7.840684|6.828784|7.939510|13.610084|36.858105| 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|2.533552|2.488412|2.132158|2.032863|2.211875|2.625436|2.838755|6.212709|4.170158|5.697384|0.135265|7.592261|17.105939|0.255683|7.646558|5.059645|5.293063|0.104580|3.081879|4.748521|2.997932|2.479858|2.449390|21.161102|3.523311|6.421361|2.121110|2.009096|1.765005|1.642242|1.701642|1.919243|1.552939|1.461063|36.858105| |2.300936|2.203368|1.911234|1.806941|1.924773|2.228254|2.424934|5.167167|3.253399|4.234196|0.109013|4.921078|10.119774|0.199386|6.021223|4.492437|4.888261|0.096546|2.931622|4.559843|2.874115|2.414742|2.396673|20.531928|3.342941|5.845073|2.077682|1.938250|1.715428|1.619906|1.698942|1.916364|1.569031|1.444204|12.428808|36.858105| |2.109972|2.033730|1.792180|1.705202|1.808330|2.060796|2.213567|4.579942|2.827707|3.436468|0.087182|3.841507|6.707110|0.129722|4.231722|3.335151|3.859985|0.078081|2.394131|3.834522|2.336883|2.022660|2.011855|16.746092|2.634068|4.350048|1.782983|1.681176|1.512648|1.438286|1.500690|1.666010|1.401739|1.299450|7.705449|12.415205|36.858105| 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|4.082303|5.620310|8.899548|17.732882|8.926977|5.641564|4.964447|6.505307|3.133365|2.559729|0.069215|2.218287|2.618223|0.053751|1.732419|1.719804|2.157748|0.042091|1.525026|2.521423|1.606802|1.546870|1.626730|12.853956|1.748827|2.476911|1.414092|1.399123|1.288085|1.207265|1.216280|1.309629|1.130635|1.115613|1.828026|1.642617|1.562366|1.674228|4.373426|0.099038|0.099627|0.113223|0.215490|0.500000| |3.541631|4.922934|5.653390|8.926573|17.725678|8.928298|5.662826|7.447570|3.914431|2.985670|0.078165|2.649803|3.001302|0.060097|1.987123|1.943748|2.437927|0.047915|1.696469|2.803247|1.755934|1.656533|1.708672|13.510323|1.905089|2.746654|1.510419|1.512686|1.383822|1.279721|1.277619|1.378358|1.174638|1.178237|2.076457|1.809210|1.711435|1.795186|4.884540|0.090323|0.090301|0.090388|0.124342|0.214396|0.500000| |4.079610|5.602255|4.970414|5.662124|8.940415|17.751482|8.882778|12.546672|7.485528|4.689554|0.116061|4.005440|4.168186|0.082127|2.663124|2.561663|3.117983|0.060777|2.111555|3.416749|2.181471|1.995476|2.048084|16.731730|2.426569|3.624170|1.775487|1.767957|1.584670|1.450004|1.453321|1.592739|1.320416|1.315306|2.796907|2.323194|2.141780|2.277074|7.105030|0.108189|0.107383|0.095855|0.107816|0.124383|0.216884|0.500000| |4.079168|4.753823|3.804254|3.747012|4.581879|6.732979|6.998476|16.497225|17.541041|8.814765|0.215345|6.840649|6.147125|0.121299|3.787889|3.712476|4.299167|0.081308|2.835317|4.419319|2.970085|2.608549|2.671380|22.880522|3.450621|5.383315|2.232542|2.198331|1.911501|1.725674|1.741099|1.952587|1.555161|1.532284|3.696214|2.935668|2.549360|2.885148|10.129487|0.119886|0.109704|0.092851|0.088358|0.086793|0.113242|0.224749|0.500000| |4.072855|4.752987|3.805082|3.751929|4.596004|6.771568|7.016619|16.536539|17.542674|8.849972|0.174366|6.931013|6.321664|0.120634|3.647928|3.301169|3.796379|0.073505|2.455346|3.875414|2.519818|2.218621|2.267640|19.344446|2.911083|4.659975|1.925641|1.883405|1.664599|1.525687|1.547207|1.720294|1.402995|1.369681|4.217206|3.231687|2.900625|3.102511|12.640524|0.111391|0.117834|0.092500|0.088327|0.086883|0.113624|0.227180|0.299234|0.500000| |2.889212|3.005909|2.538428|2.472786|2.814591|3.518808|3.695063|8.366471|6.754258|8.896489|0.220627|17.653020|12.276757|0.203893|7.765560|6.861942|7.049408|0.131604|4.061878|6.026414|3.977218|3.157692|3.059020|26.477673|4.724263|8.707190|2.630446|2.571046|2.182758|1.949192|1.973766|2.250985|1.738734|1.703702|5.682005|4.100704|3.271551|3.746605|10.317146|0.086121|0.081723|0.069090|0.062800|0.060597|0.073380|0.110233|0.198935|0.165810|0.500000| |2.895324|3.041273|2.572580|2.519311|2.888092|3.629050|3.772456|8.499782|6.994512|8.773257|0.173714|17.626034|12.362616|0.185606|6.346086|4.795698|5.197191|0.102502|3.080685|4.770630|3.002422|2.496592|2.458745|20.996567|3.483410|6.140460|2.143603|2.090099|1.826164|1.663722|1.689703|1.894762|1.520205|1.480878|7.641378|4.747853|3.953372|4.045449|12.505519|0.082828|0.084853|0.069099|0.063418|0.061653|0.075459|0.114975|0.172918|0.210589|0.300876|0.500000| |2.202080|2.232190|1.955352|1.913088|2.119227|2.495179|2.581556|5.459592|3.816040|4.746903|0.124561|7.417175|12.361485|0.183739|17.611683|8.810347|9.643489|0.208360|4.676727|7.067492|4.011576|3.077163|2.831438|23.121433|4.392079|8.127368|2.636014|2.578702|2.213196|1.988970|2.014283|2.281912|1.780429|1.743847|6.531024|4.957699|3.824217|4.020659|7.270540|0.064690|0.063142|0.054496|0.049701|0.048162|0.056459|0.076115|0.106752|0.102902|0.228158|0.188797|0.500000| |2.117487|2.080249|1.820990|1.752054|1.896096|2.199871|2.333212|4.934728|3.251977|4.181895|0.113728|5.630251|12.332977|0.210837|17.640801|8.963658|9.247198|0.189278|4.618111|6.898630|4.073700|3.130852|2.911708|24.149614|4.567596|8.631965|2.656660|2.505200|2.160675|1.988373|2.061659|2.357886|1.846949|1.739367|7.515226|7.024172|4.780061|5.398614|7.062754|0.062408|0.061573|0.052878|0.046947|0.044340|0.050119|0.065169|0.087535|0.086964|0.150958|0.140317|0.302372|0.500000| |2.180682|2.041353|1.833660|1.711239|1.747506|1.925109|2.100023|4.138694|2.341697|2.593824|0.084021|2.499965|3.499873|0.078830|2.671125|3.345224|4.559319|0.080089|4.040494|6.382505|5.711668|8.810891|17.795975|55.436524|5.460802|5.385026|6.777399|4.866319|3.899803|3.781249|4.502879|6.273022|3.764583|2.960563|2.179327|2.145640|1.834549|2.338747|4.216788|0.069059|0.058589|0.057165|0.049131|0.044069|0.045530|0.053354|0.067431|0.057760|0.073715|0.060898|0.067965|0.069747|0.500000| |1.770980|1.765409|1.618482|1.580399|1.674092|1.841390|1.898520|3.682547|2.225471|2.386585|0.073073|2.519458|3.434343|0.071634|2.865486|3.612645|5.893024|0.109520|6.041916|11.983789|6.110948|6.962749|4.976217|27.171591|4.423860|4.891811|8.898296|17.738764|8.946923|5.627949|4.930835|5.654059|3.544309|4.103889|2.120462|2.009695|1.736823|2.018018|3.724108|0.053912|0.047739|0.045924|0.042507|0.040973|0.044967|0.053167|0.067046|0.056486|0.079308|0.063016|0.078471|0.073685|0.122620|0.500000| |1.462288|1.458654|1.363804|1.340420|1.405224|1.511601|1.543032|2.926268|1.738616|1.828859|0.054726|1.912452|2.619145|0.054279|2.142993|2.524448|3.978219|0.078196|3.651252|7.530515|3.582815|4.112211|3.375729|19.072221|2.890466|3.393012|5.662010|8.968037|17.712859|8.937832|5.646075|4.992000|4.085258|7.061706|1.686954|1.627979|1.446215|1.632277|2.938576|0.043877|0.039455|0.038530|0.036223|0.035245|0.038109|0.043350|0.051666|0.045016|0.058460|0.049170|0.059232|0.056852|0.091189|0.217296|0.500000| |1.688673|1.605233|1.466613|1.391954|1.429167|1.557226|1.660889|3.239201|1.872128|2.073161|0.064152|2.096291|3.033559|0.066493|2.423598|2.971701|4.367657|0.079815|4.052392|7.081424|4.923192|7.127710|6.556115|30.681114|4.083000|4.362896|8.933986|5.669015|4.991642|5.647750|8.956018|17.707596|7.089324|4.089140|1.949631|1.973428|1.712295|2.100846|3.445072|0.051727|0.046185|0.044605|0.039405|0.036253|0.037815|0.043698|0.053538|0.047624|0.061554|0.052371|0.062374|0.065954|0.191574|0.124273|0.108173|0.500000| |1.299261|1.255283|1.172246|1.129820|1.158705|1.239259|1.294122|2.465579|1.427413|1.537404|0.045995|1.575237|2.253059|0.047893|1.802572|2.075238|3.102830|0.060403|2.709177|5.171588|2.829974|3.355912|3.056458|17.328890|2.438832|2.878226|4.284221|3.961209|4.580853|6.668853|8.820180|5.894599|17.545921|6.505381|1.501695|1.523404|1.368724|1.576993|2.585454|0.038894|0.035575|0.034731|0.031674|0.029831|0.031095|0.034897|0.040863|0.037164|0.046039|0.040576|0.047944|0.049907|0.088202|0.090273|0.107712|0.153786|0.500000| |1.419910|1.355944|1.259122|1.202428|1.226512|1.315824|1.389165|2.659752|1.525789|1.655533|0.050107|1.672640|2.400830|0.051795|1.897056|2.209519|3.231128|0.061541|2.824862|5.165410|3.115944|3.868673|3.705176|20.309782|2.730247|3.150323|4.774465|3.981386|4.185084|5.554712|8.850017|7.329136|17.585686|4.726926|1.591091|1.621839|1.446149|1.710300|2.793848|0.042849|0.038851|0.038000|0.034113|0.031650|0.032688|0.036821|0.043474|0.039409|0.048619|0.042694|0.049731|0.052336|0.111516|0.090600|0.096073|0.228081|0.302109|0.500000| |1.345147|1.297105|1.215427|1.168735|1.192050|1.269202|1.327952|2.514034|1.440935|1.537575|0.046302|1.551458|2.187498|0.046721|1.722246|1.985740|2.915390|0.056128|2.533243|4.711802|2.741758|3.365515|3.203994|17.772498|2.403230|2.806775|4.280545|3.956155|4.575404|6.664050|8.818960|5.892303|17.545009|6.502441|1.451594|1.460048|1.312497|1.523058|2.577059|0.040441|0.036544|0.036130|0.032958|0.030912|0.031932|0.035533|0.041396|0.037317|0.045383|0.039866|0.045822|0.047086|0.097118|0.090159|0.107604|0.153502|0.302747|0.302070|0.500000| |1.237892|1.215445|1.143067|1.114876|1.151730|1.226766|1.263007|2.386444|1.394286|1.478797|0.043873|1.530836|2.151178|0.044985|1.734875|1.981443|3.022713|0.060018|2.639160|5.253316|2.637830|3.028105|2.671390|15.438332|2.242778|2.688412|3.950370|4.294046|5.894215|8.825475|6.666575|4.579418|6.502110|17.544393|1.430253|1.424581|1.286598|1.445813|2.455694|0.036861|0.033722|0.033023|0.030747|0.029527|0.031169|0.034794|0.040407|0.036481|0.045324|0.039752|0.047160|0.047545|0.075329|0.099731|0.153350|0.107833|0.211577|0.133091|0.173330|0.500000| |1.277431|1.253319|1.183013|1.152224|1.184457|1.255793|1.294415|2.430349|1.406896|1.478984|0.044140|1.509004|2.093948|0.044011|1.662948|1.903166|2.848710|0.055819|2.475842|4.773520|2.566188|3.035641|2.768703|15.751393|2.215182|2.630056|3.948444|4.288251|5.883983|8.822938|6.671990|4.580397|6.509388|17.544533|1.386799|1.372417|1.239601|1.403983|2.448571|0.038172|0.034544|0.034221|0.031919|0.030575|0.032012|0.035425|0.040922|0.036627|0.044698|0.039084|0.045136|0.045088|0.080676|0.099581|0.153041|0.107779|0.173597|0.133186|0.211742|0.302684|0.500000| |1.271566|1.259961|1.189061|1.166739|1.209909|1.285991|1.314430|2.469826|1.446979|1.517026|0.045007|1.569817|2.169656|0.045114|1.746524|1.997087|3.054398|0.060704|2.669839|5.333702|2.659275|3.041906|2.670981|15.455740|2.255112|2.704516|3.971495|4.781268|7.320691|8.856969|5.556965|4.185292|4.727462|17.591878|1.432110|1.405457|1.268470|1.418089|2.490934|0.037874|0.034419|0.033875|0.031890|0.030929|0.032864|0.036577|0.042380|0.037807|0.046950|0.040807|0.047992|0.047219|0.075073|0.114192|0.226926|0.096133|0.133130|0.103924|0.133112|0.302046|0.302001|0.500000| |2.298641|2.304536|2.008099|1.946744|2.137987|2.515549|2.642424|5.618537|3.824187|4.817580|0.114514|6.746028|12.401320|0.181494|7.298632|4.670447|5.162882|0.106351|2.979322|4.685883|2.806699|2.328471|2.261799|18.920260|3.178805|5.606142|2.027571|1.949848|1.725303|1.599295|1.641125|1.832714|1.496675|1.431421|17.595663|8.752785|7.008578|5.449385|8.921499|0.065532|0.068567|0.056769|0.051181|0.048932|0.056527|0.075630|0.096938|0.111020|0.150842|0.213672|0.199772|0.204495|0.056137|0.057482|0.046175|0.051256|0.040426|0.042323|0.038898|0.039002|0.037624|0.039189|0.500000| |2.808899|2.760840|2.337230|2.214514|2.412004|2.895509|3.172879|7.051609|4.706627|6.406307|0.142330|7.506309|12.453620|0.215297|5.655918|4.215272|4.522993|0.088675|2.735746|4.250852|2.724114|2.306838|2.318795|20.164229|3.213679|5.656082|1.980707|1.879877|1.660096|1.548868|1.603677|1.800984|1.470401|1.384457|17.699195|8.845821|7.044977|6.789545|14.683085|0.079568|0.086585|0.068049|0.059299|0.054902|0.062328|0.085197|0.110131|0.136318|0.148514|0.223500|0.141943|0.148151|0.057979|0.055058|0.044188|0.050887|0.039386|0.041873|0.038426|0.037544|0.036711|0.037733|0.300933|0.500000| |2.089890|2.011636|1.763337|1.678100|1.787666|2.051631|2.206667|4.634439|2.923403|3.717246|0.098581|4.439529|9.121042|0.177138|6.576250|4.859327|5.419889|0.109007|3.190064|4.980175|3.040904|2.522920|2.454765|20.569571|3.454405|5.994534|2.182049|2.033472|1.799100|1.699514|1.783800|2.013408|1.644281|1.511927|8.831957|17.529681|8.954771|8.886684|7.124856|0.060629|0.062339|0.052587|0.045920|0.042622|0.047010|0.059636|0.075373|0.080057|0.108666|0.117754|0.147752|0.249489|0.060666|0.058408|0.047332|0.057525|0.044576|0.047175|0.042219|0.041622|0.039686|0.040821|0.212744|0.173724|0.500000| |2.254248|2.165881|1.902157|1.801197|1.903888|2.171828|2.349019|4.856757|2.955108|3.543125|0.088351|3.787551|6.217989|0.122258|3.744761|3.035045|3.508814|0.070341|2.210649|3.543189|2.191205|1.919338|1.932180|16.187656|2.486037|4.063957|1.692330|1.598183|1.440976|1.371139|1.429348|1.583460|1.338155|1.242057|6.933787|8.756396|17.551022|6.849300|7.742438|0.062888|0.069836|0.056828|0.049648|0.045729|0.049807|0.062274|0.072582|0.085326|0.088143|0.109875|0.095355|0.111347|0.049290|0.045895|0.038337|0.045223|0.036182|0.038355|0.034988|0.034058|0.033058|0.033711|0.170291|0.208908|0.173923|0.500000| |1.955245|1.868343|1.660153|1.576147|1.655688|1.864275|2.002751|4.089183|2.475116|2.957892|0.077063|3.225758|5.520115|0.110740|3.667984|3.030655|3.589077|0.072644|2.269796|3.667646|2.222556|1.947569|1.940075|15.961415|2.477453|3.987000|1.729825|1.623022|1.469296|1.408790|1.477294|1.634813|1.391179|1.276961|5.560288|8.816382|17.589601|6.891746|6.059768|0.055315|0.059417|0.049947|0.043719|0.040369|0.043602|0.053394|0.062711|0.069779|0.078563|0.090466|0.091918|0.116921|0.049441|0.046178|0.038930|0.046947|0.037857|0.040029|0.036141|0.035279|0.033879|0.034514|0.142876|0.142506|0.216251|0.301996|0.500000| |1.970288|1.931603|1.718478|1.655223|1.769142|2.008330|2.118662|4.328888|2.713335|3.210454|0.080701|3.711130|6.262692|0.115473|4.144761|3.199016|3.788280|0.078369|2.334083|3.784007|2.233543|1.930967|1.897915|15.520364|2.470600|4.050895|1.720325|1.640453|1.482702|1.404801|1.454070|1.603084|1.355879|1.274759|7.054349|8.724724|17.554228|5.469762|6.422594|0.055394|0.059511|0.049889|0.044737|0.042275|0.046936|0.058604|0.068827|0.078601|0.089265|0.110000|0.108989|0.130610|0.048114|0.047296|0.039617|0.045411|0.036925|0.038632|0.035298|0.035102|0.033696|0.034723|0.212155|0.174841|0.212902|0.300944|0.302275|0.500000| 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