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0 0 0 0 0 0 0 0 0 8.6512 -2.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 -2.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2265 -2.0923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5540 -1.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 -1.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1418 2.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1927 -1.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9663 -3.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8989 -2.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 -1.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 -2.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7505 3.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1503 2.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 -2.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -3.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3678 4.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7676 3.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8652 -2.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6388 -3.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -3.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3764 4.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5713 -2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3449 -4.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3112 -3.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3066 -1.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3560 -1.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5344 0.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4332 -2.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8927 -2.8865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6659 -2.8895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1368 -2.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3562 -0.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 -0.3715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2118 1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4419 1.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0904 -0.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 -0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9433 1.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0473 1.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0382 -0.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5207 -3.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3177 -3.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 -3.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 -1.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6274 -2.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6816 -0.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7011 -1.4799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9315 -1.2725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4048 -2.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6100 -3.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9949 -0.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 -2.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3652 3.2293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7729 2.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 -2.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8335 -4.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7453 4.7260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1529 3.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0264 -1.6867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0397 -3.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 4.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5112 -4.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1704 -2.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1837 -4.8152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7490 -4.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 16 1 0 0 0 0 2 20 1 0 0 0 0 3 15 2 0 0 0 0 4 20 2 0 0 0 0 5 24 2 0 0 0 0 6 28 1 0 0 0 0 6 82 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 60 1 0 0 0 0 23 8 1 1 0 0 0 8 24 1 0 0 0 0 8 66 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 6 0 0 0 9 15 1 0 0 0 0 9 45 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 6 0 0 0 10 20 1 0 0 0 0 10 46 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 1 0 0 0 11 47 1 0 0 0 0 12 19 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 21 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 24 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 25 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 26 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 22 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 21 22 2 0 0 0 0 21 63 1 0 0 0 0 22 64 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 23 65 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 32 2 0 0 0 0 26 33 1 0 0 0 0 27 29 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 38 2 0 0 0 0 29 39 1 0 0 0 0 30 34 1 0 0 0 0 30 71 1 0 0 0 0 31 35 2 0 0 0 0 31 72 1 0 0 0 0 32 36 1 0 0 0 0 32 73 1 0 0 0 0 33 37 2 0 0 0 0 33 74 1 0 0 0 0 34 40 2 0 0 0 0 34 75 1 0 0 0 0 35 40 1 0 0 0 0 35 76 1 0 0 0 0 36 41 2 0 0 0 0 36 77 1 0 0 0 0 37 41 1 0 0 0 0 37 78 1 0 0 0 0 38 42 1 0 0 0 0 38 79 1 0 0 0 0 39 43 2 0 0 0 0 39 80 1 0 0 0 0 41 81 1 0 0 0 0 42 44 2 0 0 0 0 42 83 1 0 0 0 0 43 44 1 0 0 0 0 43 84 1 0 0 0 0 44 85 1 0 0 0 0 M END > 44201684 > 1 > 908 > 6 > 3 > 10 > AAADcfB/OQAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwAQCAAADSjhmA4wCILABgCIAiHSGAACAAAgAAAIiIEIAIgKMDKAkRGHYAAklgCYiAedyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-[(3R,6S,8E,12R)-3-benzyl-12-[(4-fluorophenyl)methyl]-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-6-yl]-N-[(1S)-1-benzyl-2-hydroxy-ethyl]acetamide > 2-[(3R,6S,8E,12R)-12-[(4-fluorophenyl)methyl]-5,13-dioxo-3-(phenylmethyl)-1-oxa-4-azacyclotridec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide > 2-[(3R,6S,8E,12R)-3-benzyl-12-[(4-fluorophenyl)methyl]-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide > 2-[(3R,6S,8E,12R)-3-benzyl-12-[(4-fluorophenyl)methyl]-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide > 2-[(3R,6S,8E,12R)-12-[(4-fluorophenyl)methyl]-5,13-bis(oxidanylidene)-3-(phenylmethyl)-1-oxa-4-azacyclotridec-8-en-6-yl]-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]ethanamide > 2-[(3R,6S,8E,12R)-3-benzyl-12-(4-fluorobenzyl)-5,13-diketo-1-oxa-4-azacyclotridec-8-en-6-yl]-N-[(1S)-1-benzyl-2-hydroxy-ethyl]acetamide > InChI=1S/C36H41FN2O5/c37-31-18-16-28(17-19-31)20-30-15-9-3-8-14-29(23-34(41)38-32(24-40)21-26-10-4-1-5-11-26)35(42)39-33(25-44-36(30)43)22-27-12-6-2-7-13-27/h1-8,10-13,16-19,29-30,32-33,40H,9,14-15,20-25H2,(H,38,41)(H,39,42)/b8-3+/t29-,30+,32-,33+/m0/s1 > RKSMAKOUSPJGSV-PUJBUJBMSA-N > 5.5 > 600.29995057 > C36H41FN2O5 > 600.7 > C1CC(C(=O)OCC(NC(=O)C(CC=C1)CC(=O)NC(CC2=CC=CC=C2)CO)CC3=CC=CC=C3)CC4=CC=C(C=C4)F > C\1C[C@@H](C(=O)OC[C@H](NC(=O)[C@@H](C/C=C1)CC(=O)N[C@@H](CC2=CC=CC=C2)CO)CC3=CC=CC=C3)CC4=CC=C(C=C4)F > 105 > 600.29995057 > 0 > 44 > 4 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 17 6 11 18 5 25 30 8 25 31 8 26 32 8 26 33 8 29 38 8 29 39 8 30 34 8 31 35 8 32 36 8 33 37 8 34 40 8 35 40 8 36 41 8 37 41 8 38 42 8 39 43 8 42 44 8 43 44 8 23 8 5 9 14 6 $$$$