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0 0 0 0 0 0 0 0 0 0 10.4783 -1.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4870 -3.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9740 -1.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 -3.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9740 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6541 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9913 -4.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4696 -0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9913 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4696 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8641 2.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9653 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4957 -5.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9653 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8753 0.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4957 -5.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4610 1.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -6.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3395 2.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2817 5.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8472 4.5248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8499 3.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3998 4.3368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9986 5.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2062 5.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9957 6.3345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8780 -3.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5663 -3.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5829 -1.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8947 -1.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8014 1.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0873 -2.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 -2.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3737 -2.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0620 -2.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3824 -4.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0706 -3.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0786 -0.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3903 -0.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5916 -3.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9033 -3.5049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8693 -1.6997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5576 -1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8867 -5.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -4.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5743 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8860 -0.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0959 -3.9764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4077 -4.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3650 -0.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0533 -0.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0699 1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3816 0.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -6.0671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0793 -5.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0688 5.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8607 0.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5489 0.4493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6003 -4.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 -5.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5014 2.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1483 2.0623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 -6.9406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 -6.5387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9969 -5.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -6.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0031 -6.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 12 2 1 1 0 0 0 2 47 1 0 0 0 0 3 15 1 0 0 0 0 3 77 1 0 0 0 0 4 31 2 0 0 0 0 5 35 2 0 0 0 0 11 6 1 6 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 7 26 1 0 0 0 0 8 31 1 0 0 0 0 8 37 1 0 0 0 0 8 82 1 0 0 0 0 9 34 1 0 0 0 0 9 37 1 0 0 0 0 9 83 1 0 0 0 0 10 35 1 0 0 0 0 10 37 2 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 6 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 26 2 0 0 0 0 16 31 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 23 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 24 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 25 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 27 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 28 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 35 1 0 0 0 0 27 29 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 30 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 33 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 32 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 32 34 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 36 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 36 38 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 38 39 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 M END > 44586781 > 1 > 766 > 6 > 4 > 20 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAWJAAAAAAAAABAAAAACBgAAAHgAQCAAACBzhlgYHkBfMFgCoAQVxdACAgC0XEKABWIGoVECBWBpAyCAeQYhPEQLDAWG1sIIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(octadecylamino)-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione > 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(octadecylamino)-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione > 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(octadecylamino)-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione > 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(octadecylamino)-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione > 1-[(2S,4R,5S)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-(octadecylamino)-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione > 1-[(2S,4R,5S)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-6-(stearylamino)-7H-imidazo[4,5-e][1,3]diazepine-4,8-quinone > InChI=1S/C29H49N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-29-32-27(37)25-26(28(38)33-29)34(21-31-25)24-19-22(36)23(20-35)39-24/h21-24,35-36H,2-20H2,1H3,(H2,30,32,33,37,38)/t22-,23+,24+/m1/s1 > XENPONAMWFKIEU-SGNDLWITSA-N > 7.8 > 547.37336968 > C29H49N5O5 > 547.7 > CCCCCCCCCCCCCCCCCCNC1=NC(=O)C2=C(C(=O)N1)N(C=N2)C3CC(C(O3)CO)O > CCCCCCCCCCCCCCCCCCNC1=NC(=O)C2=C(C(=O)N1)N(C=N2)[C@@H]3C[C@H]([C@@H](O3)CO)O > 138 > 547.37336968 > 0 > 39 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 35 8 10 37 8 14 15 6 16 26 8 16 31 8 12 2 5 26 35 8 11 6 6 6 16 8 6 17 8 7 17 8 7 26 8 8 31 8 8 37 8 $$$$