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0 0 0 0 0 0 0 0 0 8.6279 -0.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 -1.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 -2.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 -3.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 -2.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6487 3.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8532 -3.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4209 -1.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1139 2.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 3.8298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2471 1.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0398 1.4406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9797 3.1017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 4.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9388 4.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6746 1.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9988 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9168 3.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4483 4.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5994 2.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 1.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2476 0.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 0.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -0.9290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -0.9201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3429 1.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2359 2.2628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9541 -0.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -1.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -1.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 2.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 2.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 2.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.0629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6154 -3.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2366 -3.8108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 -4.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4698 -3.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9824 3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0565 -2.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9225 -2.2063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7853 -1.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 31 1 0 0 0 0 3 42 1 0 0 0 0 4 29 2 0 0 0 0 5 37 1 0 0 0 0 5 43 1 0 0 0 0 6 41 1 0 0 0 0 6 78 1 0 0 0 0 7 41 2 0 0 0 0 8 20 1 0 0 0 0 8 21 2 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 9 33 1 0 0 0 0 10 21 1 0 0 0 0 10 29 1 0 0 0 0 10 59 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 44 1 0 0 0 0 12 15 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 48 1 0 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 18 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 20 2 0 0 0 0 20 22 1 0 0 0 0 22 31 1 0 0 0 0 22 32 2 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 60 1 0 0 0 0 27 30 1 0 0 0 0 27 35 1 0 0 0 0 28 34 1 0 0 0 0 28 36 1 0 0 0 0 30 34 2 0 0 0 0 30 39 1 0 0 0 0 31 38 2 0 0 0 0 32 37 1 0 0 0 0 32 63 1 0 0 0 0 33 41 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 37 40 2 0 0 0 0 38 40 1 0 0 0 0 38 74 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 M END > 18735245 > 1 > 956 > 7 > 2 > 10 > AAADcfB/OABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kB2DW+b9iOZvPlv7uUMShuwRPY6af4yfCezQADQQAaCACaAAaCADQQAAAAAAAAAA== > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-4,5,7-trimethyl-indol-1-yl]acetic acid > 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-4,5,7-trimethyl-1-indolyl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-4,5,7-trimethylindol-1-yl]acetic acid > 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-4,5,7-trimethyl-indol-1-yl]ethanoic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-4,5,7-trimethyl-indol-1-yl]acetic acid > InChI=1S/C33H38ClN3O5S/c1-18-13-19(2)31-22(20(18)3)14-25(37(31)17-29(38)39)32(40)36-33-35-30(23-15-27(42-5)24(34)16-26(23)41-4)28(43-33)12-11-21-9-7-6-8-10-21/h13-16,21H,6-12,17H2,1-5H3,(H,38,39)(H,35,36,40) > XQCMLNDOJVUSJD-UHFFFAOYSA-N > 8.9 > 623.22207 > C33H38ClN3O5S > 624.18992 > CC1=CC(=C2C(=C1C)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)C > CC1=CC(=C2C(=C1C)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)C > 131 > 623.22207 > 0 > 43 > 0 > 0 > 0 > 0 > 0 > 1 > 14 > 1 5 255 > 19 20 8 2 19 8 2 21 8 22 31 8 22 32 8 23 24 8 23 28 8 24 26 8 24 27 8 25 26 8 27 30 8 28 34 8 30 34 8 31 38 8 32 37 8 37 40 8 38 40 8 8 20 8 8 21 8 9 23 8 9 25 8 $$$$