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0 5.9335 3.6882 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8616 -1.9033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0776 -0.8548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0362 0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 -1.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9797 -0.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7277 -2.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2096 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9956 -3.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5182 4.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8616 -3.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7277 -3.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3438 2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0573 0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3489 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7494 -0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8777 -4.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 -3.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3456 -4.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5131 4.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9797 -5.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0776 -4.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7945 3.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3011 4.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3862 4.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8752 3.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 5.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6888 6.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 5.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 5.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 -2.8339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5504 3.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6010 -1.4840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5424 -1.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 1.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 -1.7950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8811 -2.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7415 0.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3806 0.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5824 0.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3382 -2.5109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9397 -1.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6868 5.0961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9599 4.7691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7784 2.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5982 2.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9092 3.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 1.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 1.0910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9307 0.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 -0.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5428 -0.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9378 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0532 -0.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2899 -0.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4457 0.1687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5523 -3.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9634 -4.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4507 3.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 4.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5756 5.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1517 -5.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9821 -6.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5395 -5.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 12 2 1 6 0 0 0 2 63 1 0 0 0 0 3 17 2 0 0 0 0 4 19 2 0 0 0 0 5 28 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 14 8 1 6 0 0 0 8 28 1 0 0 0 0 8 58 1 0 0 0 0 9 22 1 0 0 0 0 9 26 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 39 1 0 0 0 0 10 83 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 43 1 1 0 0 0 13 19 1 0 0 0 0 13 21 1 6 0 0 0 13 44 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 18 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 20 29 1 0 0 0 0 20 51 1 6 0 0 0 21 30 1 0 0 0 0 21 33 1 0 0 0 0 21 52 1 0 0 0 0 22 27 1 0 0 0 0 22 53 1 1 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 28 1 1 0 0 0 23 54 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 32 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 29 31 2 0 0 0 0 29 38 1 0 0 0 0 30 40 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 37 1 0 0 0 0 32 39 2 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 37 41 2 0 0 0 0 38 42 2 0 0 0 0 38 78 1 0 0 0 0 39 79 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 42 1 0 0 0 0 41 84 1 0 0 0 0 42 85 1 0 0 0 0 M END > 3084313 > 1 > 1130 > 6 > 3 > 5 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWLFgAA8eIEAAAAAAFjx8AAAHgAQCAAADSzBngQ+yPPJlgCoAzV3VAKCgCAxAiAI2aH4ZJkaYPrA0bWfYAhklgDcyAeYmcKegAAAQAASAACQAASAACQAAAAAAAAAAA== > (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-4-isopropyl-5,8-dioxo-7-sec-butyl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide > (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-butan-2-yl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide > (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-butan-2-yl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide > (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-butan-2-yl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide > (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-butan-2-yl-2-oxidanyl-5,8-bis(oxidanylidene)-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide > (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-4-isopropyl-5,8-diketo-7-sec-butyl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide > InChI=1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18?,20-,22-,24-,25+,27+,31-,32+/m1/s1 > SBFXHXZNBNFPHV-CROXOCCCSA-N > 3.1 > 577.32641949 > C32H43N5O5 > 577.7 > CCC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O > CCC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O > 118 > 577.32641949 > 0 > 42 > 7 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 37 8 10 39 8 11 43 5 13 21 6 12 2 6 20 51 6 21 33 3 22 53 5 23 28 5 29 31 8 29 38 8 31 32 8 31 37 8 32 39 8 37 41 8 38 42 8 41 42 8 14 8 6 $$$$