446864 -OEChem-04162400512D 134133 0 1 0 0 0 0 0999 V2000 10.3312 -0.6900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 3.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9914 2.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9914 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6613 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 3.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 3.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 -2.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -2.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 2.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 -4.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 -3.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -3.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -4.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 0.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9713 3.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3513 4.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9494 -0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7963 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5694 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1674 3.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5474 4.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4354 4.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8154 3.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -4.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -3.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 48 1 0 0 0 0 1 61 1 0 0 0 0 2 30 2 0 0 0 0 3 33 2 0 0 0 0 4 35 2 0 0 0 0 5 41 2 0 0 0 0 45 6 1 6 0 0 0 6126 1 0 0 0 0 50 7 1 1 0 0 0 7129 1 0 0 0 0 8 47 2 0 0 0 0 9 49 2 0 0 0 0 10 53 2 0 0 0 0 11 59 1 0 0 0 0 11133 1 0 0 0 0 12 60 1 0 0 0 0 12134 1 0 0 0 0 13 60 2 0 0 0 0 23 14 1 1 0 0 0 14 30 1 0 0 0 0 14 72 1 0 0 0 0 24 15 1 1 0 0 0 15 35 1 0 0 0 0 15 76 1 0 0 0 0 16 33 1 0 0 0 0 34 16 1 6 0 0 0 16 78 1 0 0 0 0 28 17 1 6 0 0 0 17 49 1 0 0 0 0 17 90 1 0 0 0 0 40 18 1 1 0 0 0 18 41 1 0 0 0 0 18 97 1 0 0 0 0 44 19 1 6 0 0 0 19 47 1 0 0 0 0 19104 1 0 0 0 0 51 20 1 1 0 0 0 20 53 1 0 0 0 0 20109 1 0 0 0 0 21 46 1 0 0 0 0 21122 1 0 0 0 0 21123 1 0 0 0 0 54 22 1 6 0 0 0 22127 1 0 0 0 0 22128 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 23 62 1 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 26 66 1 0 0 0 0 27 31 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 29 1 0 0 0 0 28 35 1 0 0 0 0 28 69 1 0 0 0 0 29 32 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 31 38 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 32 42 1 0 0 0 0 32 43 1 0 0 0 0 32 75 1 0 0 0 0 34 39 1 0 0 0 0 34 41 1 0 0 0 0 34 77 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 38 46 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 48 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 40 45 1 0 0 0 0 40 47 1 0 0 0 0 40 89 1 0 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 43 94 1 0 0 0 0 43 95 1 0 0 0 0 43 96 1 0 0 0 0 44 50 1 0 0 0 0 44 53 1 0 0 0 0 44 98 1 0 0 0 0 45 55 1 0 0 0 0 45 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 48102 1 0 0 0 0 48103 1 0 0 0 0 49 54 1 0 0 0 0 50 56 1 0 0 0 0 50105 1 0 0 0 0 51 52 1 0 0 0 0 51 60 1 0 0 0 0 51106 1 0 0 0 0 52 57 1 0 0 0 0 52 58 1 0 0 0 0 52107 1 0 0 0 0 54 59 1 0 0 0 0 54108 1 0 0 0 0 55110 1 0 0 0 0 55111 1 0 0 0 0 55112 1 0 0 0 0 56113 1 0 0 0 0 56114 1 0 0 0 0 56115 1 0 0 0 0 57116 1 0 0 0 0 57117 1 0 0 0 0 57118 1 0 0 0 0 58119 1 0 0 0 0 58120 1 0 0 0 0 58121 1 0 0 0 0 59124 1 0 0 0 0 59125 1 0 0 0 0 61130 1 0 0 0 0 61131 1 0 0 0 0 61132 1 0 0 0 0 M END > 446864 > 1 > 1440 > 15 > 13 > 30 > AAADcfB//ABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgQQCAAADTzlwAaCCALAAggIAAGQGAAAAAAAABAAAIGIAAACUBYggCAUQAAGNgCQAAEYCAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoic acid > (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methylbutanoic acid > (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid > (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid > (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoic acid > (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butyric acid > InChI=1S/C39H73N9O12S/c1-19(2)16-27(44-32(52)24(41)18-49)35(55)42-25(12-10-11-14-40)33(53)45-28(17-20(3)4)36(56)43-26(13-15-61-9)34(54)47-30(22(7)50)38(58)48-31(23(8)51)37(57)46-29(21(5)6)39(59)60/h19-31,49-51H,10-18,40-41H2,1-9H3,(H,42,55)(H,43,56)(H,44,52)(H,45,53)(H,46,57)(H,47,54)(H,48,58)(H,59,60)/t22-,23-,24+,25+,26+,27+,28+,29+,30+,31+/m1/s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