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0 0 0 0 0 0 0 0 0 0 0 11.6931 -1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9156 -2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7026 -0.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8827 0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1654 -2.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1630 -2.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3166 -0.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9401 -1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7175 -2.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4460 1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9306 -0.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4701 -2.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6996 -1.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4678 -2.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0122 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4432 1.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5755 2.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0066 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5727 2.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0445 -3.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3094 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0 11.4389 0.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3793 0.0734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -3.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3080 -3.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0616 -0.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3252 -3.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2913 -1.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9207 -3.0668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3939 2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7122 0.6282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3065 3.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6248 1.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 22 1 0 0 0 0 1 29 1 0 0 0 0 2 39 1 0 0 0 0 3 19 2 0 0 0 0 4 27 2 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 60 1 0 0 0 0 8 21 1 0 0 0 0 8 24 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 17 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 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 20 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 26 1 0 0 0 0 23 61 1 0 0 0 0 24 30 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 26 2 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 31 2 0 0 0 0 29 32 2 0 0 0 0 30 35 2 0 0 0 0 30 36 1 0 0 0 0 31 33 1 0 0 0 0 31 66 1 0 0 0 0 32 34 1 0 0 0 0 32 67 1 0 0 0 0 33 34 2 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 35 37 1 0 0 0 0 35 70 1 0 0 0 0 36 38 2 0 0 0 0 36 71 1 0 0 0 0 37 39 2 0 0 0 0 37 72 1 0 0 0 0 38 39 1 0 0 0 0 38 73 1 0 0 0 0 M END > 56680556 > 1 > 860 > 6 > 1 > 8 > AAADcfB7MQBAAAAAAAAAAAAAAAAAAAAAAAAwYMGABYAAAAABUAAAHwQQAAAADCjB2AwywYPAAAqIAiVSUEDCAAAlChAIiJ0IZMgIIDLg1ZGEIQhglgDoyYcciACOEAAAQAAEAQAgAACAAAgCAAAAAAAAAA== > N-[3-[cyclohexyl(methyl)amino]propyl]-5-[(4-fluorophenyl)methyl]-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-[cyclohexyl(methyl)amino]propyl]-5-[(4-fluorophenyl)methyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxamide > N-[3-[cyclohexyl(methyl)amino]propyl]-5-[(4-fluorophenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-[cyclohexyl(methyl)amino]propyl]-5-[(4-fluorophenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-[cyclohexyl(methyl)amino]propyl]-5-[(4-fluorophenyl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-[cyclohexyl(methyl)amino]propyl]-5-(4-fluorobenzyl)-6,11-diketo-benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C31H34FN3O3S/c1-34(25-8-3-2-4-9-25)19-7-18-33-30(36)23-14-17-29-27(20-23)35(21-22-12-15-24(32)16-13-22)31(37)26-10-5-6-11-28(26)39(29)38/h5-6,10-17,20,25H,2-4,7-9,18-19,21H2,1H3,(H,33,36) > MDBJKEVTZVRTPR-UHFFFAOYSA-N > 4.9 > 547.23049129 > C31H34FN3O3S > 547.7 > CN(CCCNC(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C5CCCCC5 > CN(CCCNC(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C5CCCCC5 > 88.9 > 547.23049129 > 0 > 39 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 29 3 20 23 8 20 25 8 21 22 8 21 23 8 22 26 8 25 26 8 28 29 8 28 31 8 29 32 8 30 35 8 30 36 8 31 33 8 32 34 8 33 34 8 35 37 8 36 38 8 37 39 8 38 39 8 $$$$