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0 1.8864 8.1413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 7.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7173 6.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 7.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 8.5832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0627 9.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4381 9.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 9.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 10.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 11.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 10.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29 1 1 6 0 0 0 1102 1 0 0 0 0 2 31 2 0 0 0 0 3 33 2 0 0 0 0 4 34 2 0 0 0 0 5 35 2 0 0 0 0 6 38 1 0 0 0 0 6119 1 0 0 0 0 7 40 1 0 0 0 0 7121 1 0 0 0 0 8 39 2 0 0 0 0 9 47 2 0 0 0 0 10 51 2 0 0 0 0 11 57 1 0 0 0 0 11130 1 0 0 0 0 12 72 1 0 0 0 0 12 74 1 0 0 0 0 13 23 1 0 0 0 0 13 26 1 0 0 0 0 13 31 1 0 0 0 0 14 27 1 0 0 0 0 14 30 1 0 0 0 0 14 35 1 0 0 0 0 24 15 1 1 0 0 0 15 91 1 0 0 0 0 15 92 1 0 0 0 0 16 34 1 0 0 0 0 16 37 1 0 0 0 0 16 96 1 0 0 0 0 17 32 1 0 0 0 0 17 39 1 0 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0 0 0 0 76152 1 0 0 0 0 77153 1 0 0 0 0 77154 1 0 0 0 0 77155 1 0 0 0 0 M END > 493698 > 1 > 1950 > 15 > 10 > 17 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAAABUAAAHgAQCAAADDzhmAYyxoPABgCIAiVSUACCCAAlIgAIiIGObMgOdjbG9buWeSjm9hHY+Ye+yaCeKEAAAAAAAABQgAAAAAAAAAAAAAAAAA== > InChI=1S/C55H78N10O12/c1-6-7-8-28-77-42-22-18-39(19-23-42)63(5)27-26-62(4)38-16-14-36(15-17-38)49(70)58-43-10-9-25-57-52(73)45-29-37(56)31-64(45)54(75)47(33(2)66)61-51(72)44(24-13-35-11-20-40(68)21-12-35)59-53(74)46-30-41(69)32-65(46)55(76)48(34(3)67)60-50(43)71/h11-12,14-23,33-34,37,41,43-48,66-69H,6-10,13,24-32,56H2,1-5H3,(H,57,73)(H,58,70)(H,59,74)(H,60,71)(H,61,72)/t33?,34?,37-,41+,43-,44?,45?,46?,47?,48?/m0/s1 > XQZLASJTDBHPFV-TXVJRVKASA-N > 3.4 > 1070.580068 > C55H78N10O12 > 1071.26762 > CCCCCOC1=CC=C(C=C1)N(C)CCN(C)C2=CC=C(C=C2)C(=O)NC3CCCNC(=O)C4CC(CN4C(=O)C(NC(=O)C(NC(=O)C5CC(CN5C(=O)C(NC3=O)C(C)O)O)CCC6=CC=C(C=C6)O)C(C)O)N > CCCCCOC1=CC=C(C=C1)N(C)CCN(C)C2=CC=C(C=C2)C(=O)N[C@H]3CCCNC(=O)C4C[C@@H](CN4C(=O)C(NC(=O)C(NC(=O)C5C[C@H](CN5C(=O)C(NC3=O)C(C)O)O)CCC6=CC=C(C=C6)O)C(C)O)N > 309 > 1070.580068 > 0 > 77 > 3 > 7 > 0 > 0 > 0 > 1 > 1001 > 1 5 255 > 29 1 6 24 15 5 45 20 6 23 78 3 27 84 3 32 90 3 36 93 3 37 94 3 38 95 3 40 99 3 50 52 8 50 53 8 52 55 8 53 56 8 54 58 8 54 59 8 55 57 8 56 57 8 58 60 8 59 61 8 60 62 8 61 62 8 66 68 8 66 69 8 68 70 8 69 71 8 70 72 8 71 72 8 $$$$