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0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3139 1.5659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2809 1.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9286 2.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9297 -3.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7321 -4.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5479 -3.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1725 4.4227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5791 4.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.9720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2809 0.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1322 -3.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5817 -4.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 -3.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4427 4.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5791 5.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 1.5659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3492 -3.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5817 -5.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9673 -3.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7853 4.4227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8878 5.6311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3139 5.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 1.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 0.7395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8566 -5.6311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2776 -5.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0699 4.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7853 5.2492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5806 1.5659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 2.7744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3835 4.4227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0699 3.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5806 0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7122 0.4592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 1.5659 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2196 1.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7122 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0559 1.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5055 1.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5055 0.4592 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2933 1.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2933 0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9893 1.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7143 1.5659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9893 2.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4249 1.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4249 2.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7143 3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7143 3.9829 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 6.8106 4.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6037 4.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7853 -1.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7853 1.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6536 -0.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 2.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 -0.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 2 0 0 0 0 10 17 1 0 0 0 0 10 18 2 0 0 0 0 11 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 2 0 0 0 0 24 33 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 1 0 0 0 27 36 1 0 0 0 0 27 37 1 0 0 0 0 28 38 1 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 31 41 2 0 0 0 0 32 42 1 0 0 0 0 34 43 1 0 0 0 0 34 44 1 6 0 0 0 36 45 1 0 0 0 0 36 46 1 0 0 0 0 37 47 1 0 0 0 0 40 48 1 0 0 0 0 40 49 1 6 0 0 0 43 50 1 0 0 0 0 43 51 2 0 0 0 0 45 52 1 0 0 0 0 45 53 1 0 0 0 0 47 54 1 0 0 0 0 48 55 1 0 0 0 0 49 56 1 0 0 0 0 50 57 1 0 0 0 0 52 58 1 0 0 0 0 53 59 1 0 0 0 0 54 60 1 0 0 0 0 55 61 1 0 0 0 0 56 62 1 0 0 0 0 56 63 2 0 0 0 0 57 64 1 0 0 0 0 57 65 1 0 0 0 0 59 66 1 0 0 0 0 59 67 2 0 0 0 0 61 68 1 0 0 0 0 61 69 1 6 0 0 0 64 70 1 0 0 0 0 64 71 2 0 0 0 0 65 72 1 0 0 0 0 65 73 1 1 0 0 0 68 74 1 0 0 0 0 68 75 2 0 0 0 0 70 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 78 80 1 0 0 0 0 79 81 1 0 0 0 0 80 82 1 0 0 0 0 81 83 1 0 0 0 0 83 84 2 0 0 0 0 83 85 1 0 0 0 0 84 86 1 0 0 0 0 85 87 1 0 0 0 0 86 88 1 0 0 0 0 88 89 1 0 0 0 0 88 90 2 0 0 0 0 89 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 96 1 0 0 0 0 15 16 1 0 0 0 0 22 28 1 0 0 0 0 32 41 1 0 0 0 0 47 52 1 0 0 0 0 81 82 2 0 0 0 0 86 87 2 0 0 0 0 1 97 1 1 0 0 0 2 98 1 1 0 0 0 19 99 1 6 0 0 0 57100 1 1 0 0 0 65101 1 6 0 0 0 M CHG 1 94 1 M END > DB00290 > drugbank > [H][C@](C)(NC(=O)[C@@]([H])(NC(=O)C1=NC(=NC(N)=C1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@]([H])(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CNC=N1)[C@@H](O)[C@H](C)C(=O)N[C@]([H])(C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C)[C@@]([H])(C)O > InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,53?,54?/m0/s1 > OYVAGSVQBOHSSS-WXFSZRTFSA-O > C55H84N17O21S3 > 1415.552 > 1414.518979905 > 28 > 180 > 1.8835138893225427 > 139.19395870661936 > 0 > 20 > 1 > 0 > (3-{[2-(2-{2-[(2S,3R)-2-[(2S,3S,4R)-4-[(2S,3R)-2-({6-amino-2-[(1S)-1-{[(2S)-2-amino-2-carbamoylethyl]amino}-2-carbamoylethyl]-5-methylpyrimidin-4-yl}formamido)-3-[(3-{[4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxy-2-methylpentanamido]-3-hydroxybutanamido]ethyl}-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]formamido}propyl)dimethylsulfanium > -0.41 > -9.31273852154261 > -4.72 > 1 > 2 > 6 > 2 > 12.121305944618864 > 11.390324393689676 > 7.650823772653191 > 627.0699999999998 > 343.83480000000026 > 36 > 0 > 2.77e-02 g/l > ENTA > 0 > DB00290 > APRD00453; EXPT00718 > approved; investigational > Bleomycin > Bleocin; Bleomicin; Bleomicina; Bleomycin; Bleomycine; Bleomycinum > Blenoxane; Blenoxane Pws 15unit; Bleomycin; Bleomycin for Injection; Bleomycin for Injection USP > Bleomycin hydrochloride; Bleomycin sulfate $$$$