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0 0 0 0 0 5.6646 -2.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3624 -5.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8976 -3.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2159 -2.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3134 -5.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8486 -3.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 3.4353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0566 -4.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9022 4.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0932 2.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 3.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2159 -3.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9726 4.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 -4.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0819 -4.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 -5.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0819 -5.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9671 4.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 5.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2159 -5.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3739 5.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7916 6.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 6.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1349 1.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9358 -0.8345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5226 -0.8468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1675 -0.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1144 -3.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4517 2.8313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6402 2.6588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0156 0.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 0.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1217 -0.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 -1.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0256 -3.5363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6617 1.7587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2469 2.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5838 -3.8554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1171 -4.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8765 1.5058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5213 1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7427 -5.1425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2761 -5.7349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1887 -2.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4090 -3.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5408 0.7479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8127 1.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0039 -2.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6053 -3.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0224 -5.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8020 -5.8116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4683 -3.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9349 -3.1687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9090 2.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3851 -5.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6314 -4.5285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4038 4.5429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5922 4.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5226 2.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1675 3.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4517 4.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 1.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -4.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6189 -4.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 1.5777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -1.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -5.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6189 -5.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 4.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7682 5.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.0978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9905 5.5363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4271 6.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -7.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8094 7.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 31 2 0 0 0 0 3 47 1 0 0 0 0 3102 1 0 0 0 0 4 50 1 0 0 0 0 4103 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 6 21 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 8 20 1 0 0 0 0 8 28 1 0 0 0 0 8 31 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 88 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 1 0 0 0 11 24 1 0 0 0 0 11 52 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 1 0 0 0 13 55 1 0 0 0 0 14 18 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 18 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 17 62 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 67 1 0 0 0 0 20 68 1 0 0 0 0 22 26 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 27 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 32 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 34 1 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 26 29 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 27 29 1 0 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 6 0 0 0 28 81 1 0 0 0 0 29 82 1 0 0 0 0 29 83 1 0 0 0 0 30 84 1 0 0 0 0 30 85 1 0 0 0 0 32 36 2 0 0 0 0 32 37 1 0 0 0 0 33 35 1 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 34 38 2 0 0 0 0 34 39 1 0 0 0 0 35 44 2 0 0 0 0 35 45 1 0 0 0 0 36 40 1 0 0 0 0 36 89 1 0 0 0 0 37 41 2 0 0 0 0 37 90 1 0 0 0 0 38 42 1 0 0 0 0 38 91 1 0 0 0 0 39 43 2 0 0 0 0 39 92 1 0 0 0 0 40 46 2 0 0 0 0 40 93 1 0 0 0 0 41 46 1 0 0 0 0 41 94 1 0 0 0 0 42 47 2 0 0 0 0 42 95 1 0 0 0 0 43 47 1 0 0 0 0 43 96 1 0 0 0 0 44 48 1 0 0 0 0 44 97 1 0 0 0 0 45 49 2 0 0 0 0 45 98 1 0 0 0 0 46 99 1 0 0 0 0 48 50 2 0 0 0 0 48100 1 0 0 0 0 49 50 1 0 0 0 0 49101 1 0 0 0 0 M END > 51359455 > 1 > 1080 > 5 > 3 > 13 > AAADcfB/sABgAAAAAAAAAAAAAAAAAWLFgAAwYMGAAAAAAAABUAAAHgQQCAAADSzBmAQxBoPAAgCEAiBCAAACAAAgIAkIiIAOCIiIZiKCkROUcAAs0BOImAeQwKAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (4S)-1-[(1S)-1-benzyl-2-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-thioxo-imidazolidin-1-yl]methyl]pyrrolidin-1-yl]ethyl]-3-(cyclohexylmethyl)-4-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione > (4S)-3-(cyclohexylmethyl)-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1-imidazolidinyl]methyl]-1-pyrrolidinyl]-3-phenylpropan-2-yl]-2-imidazolidinethione > (4S)-3-(cyclohexylmethyl)-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]imidazolidine-2-thione > (4S)-3-(cyclohexylmethyl)-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]imidazolidine-2-thione > (4S)-3-(cyclohexylmethyl)-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-[2-[[(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-imidazolidin-1-yl]methyl]pyrrolidin-1-yl]-3-phenyl-propan-2-yl]imidazolidine-2-thione > (4S)-1-[(1S)-1-benzyl-2-[2-[[(5S)-5-(4-hydroxybenzyl)-2-thioxo-imidazolidin-1-yl]methyl]pyrrolidino]ethyl]-3-(cyclohexylmethyl)-4-(4-hydroxybenzyl)imidazolidine-2-thione > InChI=1S/C41H53N5O2S2/c47-38-17-13-31(14-18-38)22-35-25-42-40(49)44(35)28-34-12-7-21-43(34)27-36(23-30-8-3-1-4-9-30)46-29-37(24-32-15-19-39(48)20-16-32)45(41(46)50)26-33-10-5-2-6-11-33/h1,3-4,8-9,13-20,33-37,47-48H,2,5-7,10-12,21-29H2,(H,42,49)/t34?,35-,36-,37-/m0/s1 > ROVGVQKXMAMTLO-DBKYYFATSA-N > 8.1 > 711.36406830 > C41H53N5O2S2 > 712.0 > C1CCC(CC1)CN2C(CN(C2=S)C(CC3=CC=CC=C3)CN4CCCC4CN5C(CNC5=S)CC6=CC=C(C=C6)O)CC7=CC=C(C=C7)O > C1CCC(CC1)CN2[C@H](CN(C2=S)[C@@H](CC3=CC=CC=C3)CN4CCCC4CN5[C@H](CNC5=S)CC6=CC=C(C=C6)O)CC7=CC=C(C=C7)O > 130 > 711.36406830 > 0 > 50 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 20 3 11 12 5 13 25 5 28 33 6 32 36 8 32 37 8 34 38 8 34 39 8 35 44 8 35 45 8 36 40 8 37 41 8 38 42 8 39 43 8 40 46 8 41 46 8 42 47 8 43 47 8 44 48 8 45 49 8 48 50 8 49 50 8 $$$$