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C 0 0 0 0 0 0 0 0 0 0 0 0 1.9897 -0.5914 -0.0151 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2252 0.2624 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4081 0.6266 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5871 2.2275 -2.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2764 -2.0735 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9035 -2.3733 1.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6989 0.5370 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0036 -1.4476 0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 -0.1418 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9089 -0.1459 0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -1.5003 0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 3.2753 -1.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 2.8839 -2.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5484 -4.0001 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1433 0.4564 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8017 1.8983 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0533 -2.4707 0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4486 -1.7174 0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2563 1.8047 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0545 2.5125 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1844 -2.5786 0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8799 -3.2953 -0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1585 -3.5276 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8541 -4.2441 -1.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9934 -4.3602 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1329 3.0597 -0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4045 4.7215 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5413 3.6103 2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6313 -0.2874 -1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 -0.1327 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8588 -1.9167 -0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0736 2.7136 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0887 2.3416 2.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8150 4.6952 0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6867 4.7290 2.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6943 -0.4681 1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4611 0.2614 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0036 1.3038 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1666 1.5242 -2.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3705 -2.6397 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 -2.2645 -1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 1.2544 0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1428 -3.3824 0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6927 -2.4290 2.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0234 -1.8468 0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9424 -1.3175 1.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3803 1.9820 2.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4035 2.8208 -1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 3.8101 -2.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1402 4.0205 -1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5597 2.1506 -3.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 3.3874 -3.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2602 3.6397 -2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2415 -4.4311 1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8924 -4.2505 -0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5933 -4.5106 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9106 2.5076 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0306 -2.6004 1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0783 -0.3966 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2185 2.2884 -0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 3.5705 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3011 -1.9953 1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9974 -3.2115 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0373 -3.6299 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7255 -4.8928 -2.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7500 -5.1017 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 67 1 0 0 0 0 3 19 2 0 0 0 0 4 23 2 0 0 0 0 5 29 2 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 8 17 1 0 0 0 0 8 25 1 0 0 0 0 8 34 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 9 62 1 0 0 0 0 10 35 1 0 0 0 0 10 38 1 0 0 0 0 10 79 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 46 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 20 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 23 1 0 0 0 0 15 28 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 16 27 1 0 0 0 0 16 50 1 0 0 0 0 17 26 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 52 1 0 0 0 0 18 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 25 1 0 0 0 0 21 29 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 24 32 1 0 0 0 0 24 33 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 31 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 30 2 0 0 0 0 27 36 1 0 0 0 0 28 37 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 38 2 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 39 2 0 0 0 0 36 40 2 0 0 0 0 36 77 1 0 0 0 0 37 41 2 0 0 0 0 37 42 1 0 0 0 0 38 78 1 0 0 0 0 39 40 1 0 0 0 0 39 80 1 0 0 0 0 40 81 1 0 0 0 0 41 43 1 0 0 0 0 41 82 1 0 0 0 0 42 44 2 0 0 0 0 42 83 1 0 0 0 0 43 45 2 0 0 0 0 43 84 1 0 0 0 0 44 45 1 0 0 0 0 44 85 1 0 0 0 0 45 86 1 0 0 0 0 M END > DB13345 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DEQITUUQPICUMR-HJPBWRTMSA-N/SDF?record_type=3d > [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C > InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1 > DEQITUUQPICUMR-HJPBWRTMSA-N > C35H41N5O5 > 611.743 > 611.31076944 > 6 > 86 > 0.9592144067978909 > 67.27321745431738 > 1 > 3 > 0 > 0 > (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide > 3.56 > 3.827820328867739 > -3.64 > 0 > 1 > 8 > 1 > 11.702735813935512 > 9.71272073320476 > 8.39480170481174 > 118.21000000000001 > 168.27999999999992 > 5 > 0 > 1.41e-01 g/l > cefodizime sodium > 0 $$$$