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C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 2.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0052 -2.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0233 -1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 2.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8323 -1.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8142 -3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7278 -2.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 4.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 2.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 4.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 3.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8504 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7962 -4.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4503 -3.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4804 -1.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8127 -1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6018 -2.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5719 0.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 2.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 2.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 1.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 1.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5719 -2.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1793 0.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8695 0.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 3.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 3.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9519 -2.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4388 -2.9639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0881 -0.6938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 2.6227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 2.2241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7249 -1.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9519 -2.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7988 -1.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 5.1037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 2.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 5.1037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 2.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4670 -0.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9152 0.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2338 -0.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5440 -4.1343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2298 -4.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0483 -5.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7025 -3.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0167 -2.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1982 -2.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 1 42 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 23 1 0 0 0 0 4 32 1 0 0 0 0 5 27 1 0 0 0 0 5 31 1 0 0 0 0 6 28 1 0 0 0 0 6 39 1 0 0 0 0 7 29 1 0 0 0 0 7 40 1 0 0 0 0 8 30 1 0 0 0 0 8 41 1 0 0 0 0 9 14 2 0 0 0 0 10 38 2 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 48 1 0 0 0 0 12 14 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 15 20 1 0 0 0 0 15 51 1 0 0 0 0 16 25 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 22 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 24 2 0 0 0 0 19 56 1 0 0 0 0 20 23 2 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 27 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 24 61 1 0 0 0 0 25 29 1 0 0 0 0 25 62 1 0 0 0 0 26 28 2 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 36 1 0 0 0 0 33 69 1 0 0 0 0 34 37 2 0 0 0 0 34 70 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 39 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 79 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 43 45 2 0 0 0 0 44 46 1 0 0 0 0 44 82 1 0 0 0 0 45 47 1 0 0 0 0 45 83 1 0 0 0 0 46 47 2 0 0 0 0 46 84 1 0 0 0 0 47 85 1 0 0 0 0 M END > 68297494 > 1 > 953 > 10 > 0 > 15 > AAADcfB/OABAAAAAAAAAAAAAAAAAAWIAAAAwYMGAAAAAAFgB9AAAHgQEAAAADByh3gIyx7IYFAikAyRiRACD+KBhKjhImDw27JgNJ6LksZuGOCrlwBXq6AfQ8P4OIAABCAAAQQBAAAIQAACCAAAAAAAAAA== > 5-[3-[5-[4-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[5-[4-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole > 5-[3-[5-[4-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[5-[4-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[5-[4-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole > 5-[3-[5-[4-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxy-phenyl]-3-(3,4,5-trimethoxyphenyl)-2-isoxazoline > InChI=1S/C37H38N2O7S/c1-40-30-17-14-25(31-23-29(39-46-31)26-21-33(41-2)36(43-4)34(22-26)42-3)20-32(30)45-19-9-5-8-18-44-27-15-12-24(13-16-27)37-38-28-10-6-7-11-35(28)47-37/h6-7,10-17,20-22,31H,5,8-9,18-19,23H2,1-4H3 > UQNATPSLZXMFLQ-UHFFFAOYSA-N > 8 > 654.23997273 > C37H38N2O7S > 654.8 > COC1=C(C=C(C=C1)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCCOC4=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)OCCCCCOC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5 > 118 > 654.23997273 > 0 > 47 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 38 8 1 42 8 10 38 8 10 43 8 11 13 3 13 15 8 13 19 8 15 20 8 16 25 8 16 26 8 19 24 8 20 23 8 23 24 8 25 29 8 26 28 8 28 30 8 29 30 8 31 33 8 31 34 8 33 36 8 34 37 8 35 36 8 35 37 8 42 43 8 42 44 8 43 45 8 44 46 8 45 47 8 46 47 8 $$$$