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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0802 2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8028 2.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6982 3.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9757 3.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7847 3.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -5.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4208 3.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9576 4.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4892 5.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0996 -1.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9907 0.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8182 -0.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9519 -1.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3819 -2.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5719 -4.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 -1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 -2.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 -1.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 -1.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5786 1.7103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3692 2.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -0.6972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -0.2986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 -1.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 -1.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7249 -5.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5719 -5.7763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7988 -4.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 1.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -1.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 1.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1686 2.8649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9872 3.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6730 3.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5742 4.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8928 5.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3410 4.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8536 4.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9908 5.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1248 5.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 1 41 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 18 1 0 0 0 0 3 22 1 0 0 0 0 4 19 1 0 0 0 0 4 31 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 26 1 0 0 0 0 6 37 1 0 0 0 0 7 27 1 0 0 0 0 7 38 1 0 0 0 0 8 28 1 0 0 0 0 8 40 1 0 0 0 0 9 14 2 0 0 0 0 10 39 2 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 47 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 23 2 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 17 20 2 0 0 0 0 17 51 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 24 26 2 0 0 0 0 24 58 1 0 0 0 0 25 29 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 35 2 0 0 0 0 32 36 1 0 0 0 0 32 39 1 0 0 0 0 33 35 1 0 0 0 0 33 66 1 0 0 0 0 34 36 2 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 42 44 2 0 0 0 0 43 45 1 0 0 0 0 43 79 1 0 0 0 0 44 46 1 0 0 0 0 44 80 1 0 0 0 0 45 46 2 0 0 0 0 45 81 1 0 0 0 0 46 82 1 0 0 0 0 M END > 68297599 > 1 > 937 > 10 > 0 > 14 > AAADcfB/OABAAAAAAAAAAAAAAAAAAWIAAAAwYMGAAAAAAFgB9AAAHgQEAAAADByh3gIyx7IYFAikAyRiRACD+KBhKjhImDw27JgNJ6LksZuGOCrlwBXq6AfQ8P4OIAABCAAAQQBAAAIQAACCAAAAAAAAAA== > 5-[3-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-2-isoxazoline > InChI=1S/C36H36N2O7S/c1-39-29-16-13-24(30-22-28(38-45-30)25-20-32(40-2)35(42-4)33(21-25)41-3)19-31(29)44-18-8-7-17-43-26-14-11-23(12-15-26)36-37-27-9-5-6-10-34(27)46-36/h5-6,9-16,19-21,30H,7-8,17-18,22H2,1-4H3 > VZLGAEKHYQPVJD-UHFFFAOYSA-N > 7.7 > 640.22432267 > C36H36N2O7S > 640.7 > COC1=C(C=C(C=C1)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCOC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5 > COC1=C(C=C(C=C1)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCOC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5 > 118 > 640.22432267 > 0 > 46 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 39 8 1 41 8 10 39 8 10 42 8 11 13 3 13 16 8 13 17 8 15 23 8 15 24 8 16 18 8 17 20 8 18 19 8 19 20 8 23 27 8 24 26 8 26 28 8 27 28 8 30 33 8 30 34 8 32 35 8 32 36 8 33 35 8 34 36 8 41 42 8 41 43 8 42 44 8 43 45 8 44 46 8 45 46 8 $$$$