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0 0 0 0 0 0 0 -6.6022 4.3745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3124 3.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3124 3.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0388 4.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8757 3.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1655 4.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8757 3.1316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5376 2.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2954 1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4561 1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2139 2.6473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4229 2.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2454 3.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7934 2.3567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 2.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 3.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 3.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4366 3.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6142 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 3.3737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3874 4.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4358 4.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 3.3737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0161 2.8894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 2.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 -0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8071 -0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 -0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7264 0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7264 1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 3.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0984 3.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8894 3.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0509 2.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6465 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8418 2.3567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4552 2.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 3.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2462 2.6473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9242 3.1316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 3.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6344 4.3745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6344 5.1978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3609 5.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3609 6.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0711 6.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0711 5.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3609 3.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3609 3.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0711 4.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1978 4.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5861 2.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3277 1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5045 1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8757 5.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 1.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 5.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 75 1 0 0 0 0 15 16 1 6 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 76 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 35 32 1 6 0 0 0 33 34 2 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 50 1 1 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 49 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 48 49 2 0 0 0 0 50 51 2 0 0 0 0 50 55 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 53 56 1 0 0 0 0 54 55 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 59 57 1 1 0 0 0 59 60 1 0 0 0 0 59 74 1 0 0 0 0 60 61 1 0 0 0 0 60 72 1 0 0 0 0 61 62 1 0 0 0 0 61 71 2 0 0 0 0 62 63 1 1 0 0 0 62 68 1 0 0 0 0 63 64 1 0 0 0 0 63 77 1 0 0 0 0 64 65 1 0 0 0 0 64 67 2 0 0 0 0 65 66 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 2 0 0 0 0 80 82 1 0 0 0 0 82 83 1 0 0 0 0 82143 1 0 0 0 0 83 84 1 6 0 0 0 83 87 1 0 0 0 0 84 85 1 0 0 0 0 84 86 1 0 0 0 0 87 88 2 0 0 0 0 87 89 1 0 0 0 0 89 90 1 0 0 0 0 89 93 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 6 0 0 0 94 95 2 0 0 0 0 94 96 1 0 0 0 0 96 97 1 0 0 0 0 96144 1 0 0 0 0 97 98 2 0 0 0 0 97102 1 0 0 0 0 98 99 1 0 0 0 0 99100 2 0 0 0 0 100101 1 0 0 0 0 103100 1 6 0 0 0 101102 2 0 0 0 0 103104 1 0 0 0 0 103107 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106118 1 1 0 0 0 107108 1 0 0 0 0 108109 2 0 0 0 0 108117 1 0 0 0 0 109110 1 0 0 0 0 110111 2 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 112113 1 0 0 0 0 112114 1 0 0 0 0 112115 1 0 0 0 0 116117 2 0 0 0 0 118119 2 0 0 0 0 118123 1 0 0 0 0 119120 1 0 0 0 0 120121 2 0 0 0 0 121122 1 0 0 0 0 121124 1 0 0 0 0 122123 2 0 0 0 0 124125 1 0 0 0 0 125126 2 0 0 0 0 127125 1 1 0 0 0 127128 1 0 0 0 0 127142 1 0 0 0 0 128129 1 0 0 0 0 128140 1 0 0 0 0 129130 1 0 0 0 0 129139 2 0 0 0 0 130131 1 1 0 0 0 130136 1 0 0 0 0 131132 1 0 0 0 0 131145 1 0 0 0 0 132133 1 0 0 0 0 132135 2 0 0 0 0 133134 1 0 0 0 0 136137 1 0 0 0 0 136138 1 0 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 M END > DBSALT002724 > drugbank > O.O.O.O.O.O.O.O.O.[H]N([C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1=CC=C(C=C1)[C@@H]1CC[C@H](N1C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)N([H])C(=O)[C@@H]1CCCN1C(=O)[C@@H](N([H])C(=O)OC)C(C)C)C(=O)OC.[H]N([C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1=CC=C(C=C1)[C@@H]1CC[C@H](N1C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)N([H])C(=O)[C@@H]1CCCN1C(=O)[C@@H](N([H])C(=O)OC)C(C)C)C(=O)OC > InChI=1S/2C50H67N7O8.9H2O/c2*1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9;;;;;;;;;/h2*14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63);9*1H2/t2*38-,39-,40-,41-,42-,43-;;;;;;;;;/m00........./s1 > AWMWWEBJJCSJHI-MVJJBPFMSA-N > C100H152N14O25 > 1950.389 > 1949.10530645 > 7 > 291 > 98.9201895591232 > 0 > 4 > 0 > 0 > bis(methyl N-[(2S)-1-[(2S)-2-({4-[(2S,5S)-1-(4-tert-butylphenyl)-5-{4-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidine-2-amido]phenyl}pyrrolidin-2-yl]phenyl}carbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate) nonahydrate > 5.60 > 7.488872401999999 > -5.67 > 1 > 12 > 0 > 13.17909014785322 > 12.767570619559208 > 2.155301593008463 > 178.71999999999997 > 250.79130000000006 > 32 > 0 > 1.93e-03 g/l > bis(ombitasvir) nonahydrate > 0 > DBSALT002724 > Ombitasvir heminonahydrate > DB09296 > Ombitasvir > 1456607-70-7 > EQE3I70J3W $$$$