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0 0 0 0 0 0 0 0 6.6675 -3.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 -2.1686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8604 -4.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8327 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 2.9687 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5254 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9649 1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0943 3.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 -3.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7178 -5.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -1.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 -4.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6549 3.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5451 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1597 -0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5201 -2.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8148 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9306 -4.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1752 -2.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7575 -4.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 -4.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -5.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5964 -0.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -3.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 -3.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -4.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 -4.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -5.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 -4.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5536 -2.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 -2.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -2.8213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -1.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 -0.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3293 -0.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7098 2.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9693 1.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0288 2.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 1.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0266 0.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2473 3.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 3.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0872 2.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 1.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 -3.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7265 -5.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7380 -0.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3174 -0.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4193 -1.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 5.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4761 -4.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3523 -4.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 -3.9460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3131 -3.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7796 -2.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0372 -2.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 14 1 0 0 0 0 2 23 1 0 0 0 0 3 16 1 0 0 0 0 3 22 1 0 0 0 0 4 17 2 0 0 0 0 5 30 2 0 0 0 0 6 36 1 0 0 0 0 6 41 1 0 0 0 0 7 35 1 0 0 0 0 7 73 1 0 0 0 0 8 35 2 0 0 0 0 9 38 1 0 0 0 0 9 42 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 6 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 21 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 1 0 0 0 16 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 22 33 1 0 0 0 0 22 56 1 1 0 0 0 23 32 2 0 0 0 0 24 30 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 35 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 29 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 31 34 2 0 0 0 0 31 68 1 0 0 0 0 32 34 1 0 0 0 0 32 69 1 0 0 0 0 33 36 2 0 0 0 0 33 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 2 0 0 0 0 37 70 1 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 39 71 1 0 0 0 0 40 72 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 M END > 70237270 > 1 > 1010 > 8 > 1 > 7 > AAADcfB7PAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEABYAAAACxQAAAHgIACAAADz7hmCYyzoMABgCIAiXSWAKCCAAhJQAIiAFPzogPJz7Fs5+HeCrn5hHa6Afd0fMPAABBIQAKUAAAAIJCABSgAAAAAAAAAA== > 1-[2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]-1-oxoethyl]-3-piperidinecarboxylic acid > 1-[2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-oxo-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetyl]piperidine-3-carboxylic acid > 1-[2-[(2R,10S,12R)-2-tert-butyl-7-chloranyl-10-(2,3-dimethoxyphenyl)-13-oxidanylidene-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]ethanoyl]piperidine-3-carboxylic acid > 1-[2-[(2R,10S,12R)-2-tert-butyl-7-chloro-10-(2,3-dimethoxyphenyl)-13-keto-4,11-dioxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-12-yl]acetyl]nipecotic acid > InChI=1S/C31H37ClN2O8/c1-31(2,3)24-16-41-22-13-18(32)12-20-26(22)34(24)29(36)23(14-25(35)33-11-7-8-17(15-33)30(37)38)42-27(20)19-9-6-10-21(39-4)28(19)40-5/h6,9-10,12-13,17,23-24,27H,7-8,11,14-16H2,1-5H3,(H,37,38)/t17?,23-,24+,27-/m1/s1 > XYTZWZBAFWUESU-IWNQAGGHSA-N > 4 > 600.2238438 > C31H37ClN2O8 > 601.1 > CC(C)(C)C1COC2=CC(=CC3=C2N1C(=O)C(OC3C4=C(C(=CC=C4)OC)OC)CC(=O)N5CCCC(C5)C(=O)O)Cl > CC(C)(C)[C@@H]1COC2=CC(=CC3=C2N1C(=O)[C@H](O[C@@H]3C4=C(C(=CC=C4)OC)OC)CC(=O)N5CCCC(C5)C(=O)O)Cl > 115 > 600.2238438 > 0 > 42 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 43 6 15 21 8 15 23 8 16 24 5 21 31 8 22 56 5 23 32 8 25 35 3 31 34 8 32 34 8 33 36 8 33 37 8 36 38 8 37 39 8 38 40 8 39 40 8 $$$$