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0 0 0 0 0 0 0 0 3.0683 -6.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5324 -1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5324 -2.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3985 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6664 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3985 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8004 -2.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2645 -2.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4651 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6664 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4651 4.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8004 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3985 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9344 -4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2645 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9344 -5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 4.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1305 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7331 4.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1305 -4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1972 4.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3312 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 7.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9965 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7331 5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1972 5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8626 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1305 -5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9965 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9965 -5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8626 -4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8626 -5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9955 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9955 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6105 -1.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0090 -0.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9764 -0.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1295 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3564 -1.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2635 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2645 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6772 2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0757 3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0021 3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9354 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0124 -4.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4110 -3.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1360 2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0185 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3985 0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7785 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7223 -3.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3238 -4.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6539 -3.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0524 -4.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 5.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 6.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8681 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1464 -5.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -5.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9791 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2191 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0431 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1961 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4231 2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7331 4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1360 3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9344 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4713 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1972 4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2131 2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8563 -5.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 -5.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6675 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 7.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 7.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 7.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 6.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 5.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3951 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5980 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3531 5.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7331 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1131 5.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6001 3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9851 6.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5866 5.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5936 -5.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9965 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 -7.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6053 -7.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9965 -6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3995 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3995 -5.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0632 6.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 2 0 0 0 0 2 30 2 0 0 0 0 3 37 2 0 0 0 0 4 43 2 0 0 0 0 5 49 2 0 0 0 0 6 51 2 0 0 0 0 7 52 2 0 0 0 0 8 59 1 0 0 0 0 8145 1 0 0 0 0 9 60 1 0 0 0 0 9146 1 0 0 0 0 10 59 2 0 0 0 0 11 61 2 0 0 0 0 23 12 1 1 0 0 0 12 30 1 0 0 0 0 12 79 1 0 0 0 0 13 26 1 0 0 0 0 28 13 1 6 0 0 0 13 85 1 0 0 0 0 31 14 1 1 0 0 0 14 49 1 0 0 0 0 14 98 1 0 0 0 0 27 15 1 6 0 0 0 15112 1 0 0 0 0 15113 1 0 0 0 0 16 37 1 0 0 0 0 46 16 1 6 0 0 0 16111 1 0 0 0 0 39 17 1 6 0 0 0 17 51 1 0 0 0 0 17117 1 0 0 0 0 42 18 1 1 0 0 0 18 52 1 0 0 0 0 18118 1 0 0 0 0 19 43 1 0 0 0 0 19 56 1 0 0 0 0 19121 1 0 0 0 0 48 20 1 6 0 0 0 20 61 1 0 0 0 0 20133 1 0 0 0 0 21 53 1 0 0 0 0 21138 1 0 0 0 0 21139 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 1 0 0 0 22 72 1 0 0 0 0 23 26 1 0 0 0 0 23 73 1 0 0 0 0 24 34 1 0 0 0 0 24 74 1 0 0 0 0 24 75 1 0 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 25 78 1 0 0 0 0 27 30 1 0 0 0 0 27 32 1 0 0 0 0 27 80 1 0 0 0 0 28 36 1 0 0 0 0 28 43 1 0 0 0 0 28 81 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 29 82 1 0 0 0 0 29 83 1 0 0 0 0 31 37 1 0 0 0 0 31 84 1 0 0 0 0 32 35 1 0 0 0 0 32 86 1 0 0 0 0 32 87 1 0 0 0 0 33 44 1 0 0 0 0 33 45 1 0 0 0 0 33 88 1 0 0 0 0 34 89 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 35 40 1 0 0 0 0 35 92 1 0 0 0 0 35 93 1 0 0 0 0 36 47 1 0 0 0 0 36 94 1 0 0 0 0 36 95 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 38 96 1 0 0 0 0 38 97 1 0 0 0 0 39 59 1 0 0 0 0 39 99 1 0 0 0 0 40 53 1 0 0 0 0 40100 1 0 0 0 0 40101 1 0 0 0 0 41 54 1 0 0 0 0 41 55 1 0 0 0 0 41102 1 0 0 0 0 42 50 1 0 0 0 0 42 51 1 0 0 0 0 42103 1 0 0 0 0 44104 1 0 0 0 0 44105 1 0 0 0 0 44106 1 0 0 0 0 45107 1 0 0 0 0 45108 1 0 0 0 0 45109 1 0 0 0 0 46 52 1 0 0 0 0 46 57 1 0 0 0 0 46110 1 0 0 0 0 47 62 2 0 0 0 0 47 63 1 0 0 0 0 48 49 1 0 0 0 0 48 60 1 0 0 0 0 48114 1 0 0 0 0 50 58 1 0 0 0 0 50115 1 0 0 0 0 50116 1 0 0 0 0 53119 1 0 0 0 0 53120 1 0 0 0 0 54122 1 0 0 0 0 54123 1 0 0 0 0 54124 1 0 0 0 0 55125 1 0 0 0 0 55126 1 0 0 0 0 55127 1 0 0 0 0 56 61 1 0 0 0 0 56128 1 0 0 0 0 56129 1 0 0 0 0 57130 1 0 0 0 0 57131 1 0 0 0 0 57132 1 0 0 0 0 58 66 2 0 0 0 0 58 67 1 0 0 0 0 60134 1 0 0 0 0 60135 1 0 0 0 0 62 64 1 0 0 0 0 62136 1 0 0 0 0 63 65 2 0 0 0 0 63137 1 0 0 0 0 64 68 2 0 0 0 0 64140 1 0 0 0 0 65 68 1 0 0 0 0 65141 1 0 0 0 0 66 69 1 0 0 0 0 66142 1 0 0 0 0 67 70 2 0 0 0 0 67143 1 0 0 0 0 68144 1 0 0 0 0 69 71 2 0 0 0 0 69147 1 0 0 0 0 70 71 1 0 0 0 0 70148 1 0 0 0 0 71149 1 0 0 0 0 M END > 9941306 > 1 > 1720 > 13 > 12 > 32 > AAADcfB//AAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADSjhmAYyCILAAgCIAiHSGAACAAAgAAAIiIGIAIgKcDaAkTGUYAAmtgCYiAeYiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid > (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid > (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid > (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid > (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid > (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid > InChI=1S/C50H78N10O11/c1-8-31(6)42(60-44(64)35(52)21-15-16-22-51)49(69)58-37(25-33-17-11-9-12-18-33)45(65)53-27-41(62)55-40(28-61)48(68)57-36(23-29(2)3)46(66)54-32(7)43(63)56-38(26-34-19-13-10-14-20-34)47(67)59-39(50(70)71)24-30(4)5/h9-14,17-20,29-32,35-40,42,61H,8,15-16,21-28,51-52H2,1-7H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,68)(H,58,69)(H,59,67)(H,60,64)(H,70,71)/t31-,32-,35-,36-,37-,38-,39-,40-,42-/m0/s1 > AHOKKYCUWBLDST-QYULHYBRSA-N > 0.4 > 994.58515334 > C50H78N10O11 > 995.2 > CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCCCN)N > CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCCN)N > 342 > 994.58515334 > 0 > 71 > 9 > 0 > 0 > 0 > 0 > 1 > 256 > 1 5 255 > 23 12 5 28 13 6 31 14 5 27 15 6 46 16 6 39 17 6 42 18 5 48 20 6 22 25 5 47 62 8 47 63 8 58 66 8 58 67 8 62 64 8 63 65 8 64 68 8 65 68 8 66 69 8 67 70 8 69 71 8 70 71 8 $$$$