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0 0 0 0 3.4030 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 -0.3948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7455 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1648 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0777 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6648 3.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 -1.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 3.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3239 -2.5020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0992 -0.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3884 -1.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3024 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 4.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4314 -1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 -2.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -2.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6130 -3.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5916 -3.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9452 -4.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6648 5.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9022 -4.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2559 -5.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2344 -5.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 3.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 0.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6186 3.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 3.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9466 1.5525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 3.5797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 3.5797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 3.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 2.4971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3307 -0.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8548 3.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9768 0.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2192 0.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6207 -1.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0572 2.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7474 2.7587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7725 4.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0822 4.0489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5572 3.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2474 3.6248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5165 -3.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9066 -0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 -2.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9162 -2.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 -2.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2725 5.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 4.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8247 -1.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9131 -3.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -2.8830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8486 -3.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0056 -3.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3385 -4.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8418 -5.8151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9748 6.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9748 5.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4748 6.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5448 6.4349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1310 -6.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 43 1 0 0 0 0 20 2 1 6 0 0 0 2 59 1 0 0 0 0 3 22 2 0 0 0 0 4 23 2 0 0 0 0 5 29 2 0 0 0 0 31 6 1 6 0 0 0 6 80 1 0 0 0 0 7 45 1 0 0 0 0 7 88 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 26 1 0 0 0 0 9 60 1 0 0 0 0 24 10 1 1 0 0 0 10 29 1 0 0 0 0 10 63 1 0 0 0 0 11 35 1 0 0 0 0 11 42 2 0 0 0 0 12 42 1 0 0 0 0 12 84 1 0 0 0 0 12 85 1 0 0 0 0 13 42 1 0 0 0 0 13 86 1 0 0 0 0 13 87 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 46 1 6 0 0 0 15 19 1 0 0 0 0 15 47 1 6 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 23 1 1 0 0 0 17 50 1 0 0 0 0 18 21 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 28 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 32 2 0 0 0 0 27 33 1 0 0 0 0 28 30 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 31 1 0 0 0 0 30 35 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 34 1 0 0 0 0 31 70 1 0 0 0 0 32 36 1 0 0 0 0 32 71 1 0 0 0 0 33 37 2 0 0 0 0 33 72 1 0 0 0 0 34 39 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 38 2 0 0 0 0 36 77 1 0 0 0 0 37 38 1 0 0 0 0 37 78 1 0 0 0 0 38 79 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 40 43 1 0 0 0 0 40 81 1 0 0 0 0 41 44 2 0 0 0 0 41 82 1 0 0 0 0 43 45 2 0 0 0 0 44 45 1 0 0 0 0 44 83 1 0 0 0 0 M END > 73604008 > 1 > 1020 > 7 > 7 > 13 > AAADcfB/uAAEAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgBQAAAHgIQCAAADT7hmCYxBoPAAgCoAiFSNAICAAEgJUAIiIHOC4gKdjKDkzOUcAAm1hGYmAeY2aOeIAAAIAAACABAAABEAAQQAAAAAAAAAA== > (2S,3aS,6R,7aS)-1-[(2S)-2-[[(2S)-3-(3-chloro-4-hydroxy-phenyl)-2-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]-N-(4-guanidinobutyl)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide > (2S,3aS,6R,7aS)-1-[(2S)-2-[[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]-N-[4-(diaminomethylideneamino)butyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide > (2S,3aS,6R,7aS)-1-[(2S)-2-[[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-hydroxypropanoyl]amino]-3-phenylpropanoyl]-N-[4-(diaminomethylideneamino)butyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide > (2S,3aS,6R,7aS)-1-[(2S)-2-[[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-hydroxypropanoyl]amino]-3-phenylpropanoyl]-N-[4-(diaminomethylideneamino)butyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide > (2S,3aS,6R,7aS)-N-[4-[bis(azanyl)methylideneamino]butyl]-1-[(2S)-2-[[(2S)-3-(3-chloranyl-4-oxidanyl-phenyl)-2-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]-6-oxidanyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide > (2S,3aS,6R,7aS)-1-[(2S)-2-[[(2S)-3-(3-chloro-4-hydroxy-phenyl)-2-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]-N-(4-guanidinobutyl)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide > InChI=1S/C32H43ClN6O6/c33-23-14-20(8-11-27(23)41)16-28(42)30(44)38-24(15-19-6-2-1-3-7-19)31(45)39-25-18-22(40)10-9-21(25)17-26(39)29(43)36-12-4-5-13-37-32(34)35/h1-3,6-8,11,14,21-22,24-26,28,40-42H,4-5,9-10,12-13,15-18H2,(H,36,43)(H,38,44)(H4,34,35,37)/t21-,22+,24-,25-,26-,28-/m0/s1 > LNFDGLKYPWLQGX-CFWNRGJUSA-N > 1.9 > 642.2932608 > C32H43ClN6O6 > 643.2 > C1CC(CC2C1CC(N2C(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC(=C(C=C4)O)Cl)O)C(=O)NCCCCN=C(N)N)O > C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC(=C(C=C4)O)Cl)O)C(=O)NCCCCN=C(N)N)O > 204 > 642.2932608 > 0 > 45 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 24 10 5 14 46 6 15 47 6 17 23 5 20 2 6 27 32 8 27 33 8 32 36 8 33 37 8 36 38 8 37 38 8 39 40 8 39 41 8 40 43 8 41 44 8 43 45 8 44 45 8 31 6 6 $$$$