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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 13.3166 -0.4657 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 11.1630 -2.9426 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 12.0122 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 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 12.5755 2.9887 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 14.0066 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0150 2.2372 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 14.1360 3.7402 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 -1.4617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7696 -0.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8882 -3.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -3.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0206 -0.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -0.8155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5994 -2.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1393 -3.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6656 -1.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 -2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8839 -1.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1062 -1.7108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 -3.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2177 -4.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -3.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -2.9362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0462 -2.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5740 -1.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7963 -1.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3791 -2.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 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 10.5716 -0.3192 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 13.7122 0.6282 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 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 11.0613 2.8555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3967 2.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9686 1.6190 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 14.6483 3.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4853 4.2525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6238 4.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 21 1 0 0 0 0 1 29 1 0 0 0 0 2 18 2 0 0 0 0 3 25 2 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 61 1 0 0 0 0 7 20 1 0 0 0 0 7 23 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 41 1 0 0 0 0 9 11 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 16 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 19 1 0 0 0 0 19 22 2 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 27 1 0 0 0 0 22 64 1 0 0 0 0 23 26 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 27 2 0 0 0 0 24 65 1 0 0 0 0 25 28 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 66 1 0 0 0 0 28 29 1 0 0 0 0 28 32 2 0 0 0 0 29 33 2 0 0 0 0 30 34 1 0 0 0 0 30 37 1 0 0 0 0 31 36 2 0 0 0 0 31 67 1 0 0 0 0 32 38 1 0 0 0 0 32 68 1 0 0 0 0 33 39 1 0 0 0 0 33 69 1 0 0 0 0 34 35 2 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 39 2 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 M END > 56673916 > 1 > 892 > 5 > 1 > 8 > AAADcfB/MABAAAAAAAAAAAAAAAAAAAAAAAAwYMGABYAAAAABUAAAHgQQAAAADCjB2AQywYPAAAqIAiVSUEDCAAAlChAIiJ0IZMgIIDLg1ZGEIQhglgDoyYcciMCO0AACQAAUAQCgAASAACgCAAAAAAAAAA== > N-[3-[cyclohexyl(methyl)amino]propyl]-5-[(2,4-dimethylphenyl)methyl]-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-[cyclohexyl(methyl)amino]propyl]-5-[(2,4-dimethylphenyl)methyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxamide > N-[3-[cyclohexyl(methyl)amino]propyl]-5-[(2,4-dimethylphenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-[cyclohexyl(methyl)amino]propyl]-5-[(2,4-dimethylphenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-[cyclohexyl(methyl)amino]propyl]-5-[(2,4-dimethylphenyl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-[cyclohexyl(methyl)amino]propyl]-5-(2,4-dimethylbenzyl)-6,11-diketo-benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C33H39N3O3S/c1-23-14-15-26(24(2)20-23)22-36-29-21-25(32(37)34-18-9-19-35(3)27-10-5-4-6-11-27)16-17-31(29)40(39)30-13-8-7-12-28(30)33(36)38/h7-8,12-17,20-21,27H,4-6,9-11,18-19,22H2,1-3H3,(H,34,37) > ZJRYVYSMLLTUKI-UHFFFAOYSA-N > 5.5 > 557.27121329 > C33H39N3O3S > 557.7 > CC1=CC(=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCCCN(C)C4CCCCC4)S(=O)C5=CC=CC=C5C2=O)C > CC1=CC(=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCCCN(C)C4CCCCC4)S(=O)C5=CC=CC=C5C2=O)C > 88.9 > 557.27121329 > 0 > 40 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 29 3 19 22 8 19 24 8 20 21 8 20 22 8 21 27 8 24 27 8 26 30 8 26 31 8 28 29 8 28 32 8 29 33 8 30 34 8 31 36 8 32 38 8 33 39 8 34 35 8 35 36 8 38 39 8 $$$$