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0 0 0 0 0 6.1165 4.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8143 -1.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8486 4.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9825 5.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4148 -5.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1829 -2.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 -5.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0432 -3.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9482 -3.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0967 -6.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 -6.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -4.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4719 -5.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 -4.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9373 -5.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0346 -0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9239 -3.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7425 3.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3019 -1.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2065 5.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0110 -4.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7425 5.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9986 6.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0838 -5.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 -3.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9459 -4.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1789 -5.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7163 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3134 -2.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0847 -6.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 -5.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6486 3.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6486 4.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1985 6.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1006 6.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1135 -6.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4105 -6.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3547 0.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6558 1.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 2.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6233 0.0104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8006 1.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0663 -0.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8802 -1.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9398 1.8831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6092 0.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7353 2.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6732 4.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1075 -4.8445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3356 -2.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2443 -3.1086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1130 -4.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4273 -4.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2642 6.5346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8775 7.3352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1638 -3.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -0.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2737 -2.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4930 -8.0651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0508 3.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0508 4.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7948 6.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 8.0651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2207 -7.9990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 31 1 0 0 0 0 2 37 1 0 0 0 0 3 32 1 0 0 0 0 3 38 1 0 0 0 0 4 33 1 0 0 0 0 4 39 1 0 0 0 0 5 35 1 0 0 0 0 5 86 1 0 0 0 0 6 36 1 0 0 0 0 6 50 1 0 0 0 0 7 37 2 0 0 0 0 8 38 2 0 0 0 0 9 56 1 0 0 0 0 9 66 1 0 0 0 0 10 55 1 0 0 0 0 10 68 1 0 0 0 0 11 39 2 0 0 0 0 12 50 2 0 0 0 0 13 58 1 0 0 0 0 13 91 1 0 0 0 0 14 60 1 0 0 0 0 14 92 1 0 0 0 0 15 62 1 0 0 0 0 15 93 1 0 0 0 0 16 63 1 0 0 0 0 16 95 1 0 0 0 0 17 65 1 0 0 0 0 17 94 1 0 0 0 0 18 64 1 0 0 0 0 18 96 1 0 0 0 0 19 67 1 0 0 0 0 19 97 1 0 0 0 0 20 66 2 0 0 0 0 21 69 1 0 0 0 0 21 98 1 0 0 0 0 22 70 1 0 0 0 0 22 99 1 0 0 0 0 23 71 1 0 0 0 0 23100 1 0 0 0 0 24 68 2 0 0 0 0 25 73 1 0 0 0 0 25101 1 0 0 0 0 26 74 1 0 0 0 0 26102 1 0 0 0 0 27 75 1 0 0 0 0 27103 1 0 0 0 0 28 76 1 0 0 0 0 28104 1 0 0 0 0 29 77 1 0 0 0 0 29105 1 0 0 0 0 30 78 1 0 0 0 0 30106 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 31 79 1 0 0 0 0 32 33 1 0 0 0 0 32 80 1 0 0 0 0 33 35 1 0 0 0 0 33 81 1 0 0 0 0 34 36 1 0 0 0 0 34 82 1 0 0 0 0 35 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 37 40 1 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 40 43 1 0 0 0 0 40 57 2 0 0 0 0 41 44 1 0 0 0 0 41 59 2 0 0 0 0 42 45 1 0 0 0 0 42 61 2 0 0 0 0 43 47 1 0 0 0 0 43 60 2 0 0 0 0 44 45 1 0 0 0 0 44 63 2 0 0 0 0 45 64 2 0 0 0 0 46 48 1 0 0 0 0 46 49 2 0 0 0 0 46 55 1 0 0 0 0 47 49 1 0 0 0 0 47 58 2 0 0 0 0 48 51 2 0 0 0 0 48 56 1 0 0 0 0 49 66 1 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 51 68 1 0 0 0 0 52 54 1 0 0 0 0 52 65 2 0 0 0 0 53 54 1 0 0 0 0 53 72 2 0 0 0 0 54 71 2 0 0 0 0 55 62 2 0 0 0 0 56 67 2 0 0 0 0 57 69 1 0 0 0 0 57 87 1 0 0 0 0 58 62 1 0 0 0 0 59 73 1 0 0 0 0 59 88 1 0 0 0 0 60 70 1 0 0 0 0 61 75 1 0 0 0 0 61 89 1 0 0 0 0 63 74 1 0 0 0 0 64 76 1 0 0 0 0 65 67 1 0 0 0 0 69 70 2 0 0 0 0 71 77 1 0 0 0 0 72 78 1 0 0 0 0 72 90 1 0 0 0 0 73 74 2 0 0 0 0 75 76 2 0 0 0 0 77 78 2 0 0 0 0 M END > 16129869 > 1 > 2380 > 30 > 17 > 0 > AAADceB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0aNGDAAAAAACRVAAAGgAACAAADBSwmAMwDoAABgCIAiDSCAACCAAkIAAAiAEGiMgdNzKGNBqCeyOlwBUPuYfK7PzOoAADCAAYQABAAAYQADCAAAAAAAAAAA== > InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2 > ZJVUMAFASBFUBG-UHFFFAOYSA-N > 1.7 > 1084.066539 > C48H28O30 > 1084.71792 > C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O > C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O > 511 > 1084.066539 > 0 > 78 > 0 > 5 > 0 > 0 > 0 > 1 > 938 > 1 5 255 > 10 55 8 10 68 8 31 2 3 32 3 3 34 36 3 33 4 3 40 43 8 40 57 8 41 44 8 41 59 8 42 45 8 42 61 8 43 60 8 44 63 8 45 64 8 46 48 8 46 49 8 46 55 8 47 49 8 47 58 8 48 51 8 48 56 8 49 66 8 35 5 3 51 52 8 51 68 8 52 65 8 53 54 8 53 72 8 54 71 8 55 62 8 56 67 8 57 69 8 58 62 8 59 73 8 60 70 8 61 75 8 63 74 8 64 76 8 65 67 8 69 70 8 71 77 8 72 78 8 73 74 8 75 76 8 77 78 8 9 56 8 9 66 8 $$$$