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0 0 0 0 -15.7184 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 -3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.4328 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4328 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -16.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -14.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -16.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -15.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -16.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 21 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 29 1 6 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 30 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 39 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 48 47 1 6 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 48 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 57 62 1 0 0 0 0 61 63 1 0 0 0 0 63 64 2 0 0 0 0 63 65 1 0 0 0 0 60 66 1 0 0 0 0 66 67 1 0 0 0 0 42 68 1 0 0 0 0 68 69 1 0 0 0 0 24 70 1 0 0 0 0 70 71 1 0 0 0 0 6 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 73 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 75 81 1 6 0 0 0 M END > DB12955 > drugbank > COC1=CC=C(NC(=O)[C@H](CCCCN)NC(=O)C2=CC(NC(=O)[C@H](CCCCN)NC(=O)C3=CC(NC(=O)[C@H](CCCCN)NC(=O)C4=CC(NC(=O)[C@@H](N)CCCCN)=CC=C4OC)=CC=C3OC)=CC=C2OC)C=C1C(N)=O > InChI=1S/C56H79N13O12/c1-78-45-21-17-33(29-37(45)49(62)70)64-54(75)42(14-6-10-26-58)67-51(72)39-31-35(19-23-47(39)80-3)66-56(77)44(16-8-12-28-60)69-52(73)40-32-36(20-24-48(40)81-4)65-55(76)43(15-7-11-27-59)68-50(71)38-30-34(18-22-46(38)79-2)63-53(74)41(61)13-5-9-25-57/h17-24,29-32,41-44H,5-16,25-28,57-61H2,1-4H3,(H2,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)(H,68,71)(H,69,73)/t41-,42-,43-,44-/m0/s1 > PWFIFNGOPQUNIT-ITMZJIMRSA-N > C56H79N13O12 > 1126.327 > 1125.597115036 > 17 > 160 > 121.64083053159106 > 0 > 13 > 0 > 0 > 5-[(2S)-6-amino-2-({5-[(2S)-6-amino-2-({5-[(2S)-6-amino-2-({5-[(2S)-2,6-diaminohexanamido]-2-methoxyphenyl}formamido)hexanamido]-2-methoxyphenyl}formamido)hexanamido]-2-methoxyphenyl}formamido)hexanamido]-2-methoxybenzamide > 0.97 > 0.21404048633333492 > -5.40 > 1 > 4 > 5 > 13.443726535098357 > 12.964198404610851 > 10.806908731194536 > 413.80999999999995 > 311.4473 > 35 > 0 > 4.53e-03 g/l > 5-[(2S)-6-amino-2-({5-[(2S)-6-amino-2-({5-[(2S)-6-amino-2-({5-[(2S)-2,6-diaminohexanamido]-2-methoxyphenyl}formamido)hexanamido]-2-methoxyphenyl}formamido)hexanamido]-2-methoxyphenyl}formamido)hexanamido]-2-methoxybenzamide > 0 > DB12955 > investigational > Delparantag > Delparantag $$$$