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C 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -16.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -16.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -12.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -12.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -11.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 -11.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -12.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -12.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 -12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7308 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -13.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1923 -14.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8077 -14.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5769 -18.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7308 -18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1923 -18.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3462 -18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -15.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -16.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -15.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -15.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -13.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6538 -14.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3462 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9615 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -16.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -16.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -16.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 -16.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -16.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -16.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6818 -20.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0455 -20.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7727 -20.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1364 -20.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -17.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -17.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0385 -18.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9615 -18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8077 -18.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1154 -17.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9545 -20.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2273 -20.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5909 -20.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4091 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -22.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 -22.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6538 -18.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 -15.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4231 -18.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -20.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4231 -14.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8636 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7500 -10.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2500 -12.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3182 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7500 -12.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2500 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2692 -18.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1154 -13.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2692 -14.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1875 -7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 -16.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0625 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 -16.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 -16.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7963 -17.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8482 -16.5214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6567 -14.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5546 -18.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -16.1811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 -18.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0006 -16.1827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0872 -21.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5728 -19.5928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9385 -15.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7337 -14.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1757 -19.9308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9291 -21.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8867 -1.7169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1317 -3.4211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4253 -10.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2333 -8.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7622 -11.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9417 -12.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6144 -21.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9075 -19.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4370 -13.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 -6.0130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9265 -13.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0897 -5.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4415 -6.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8791 -16.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7191 -7.6508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1930 -16.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 79 1 0 0 0 0 2 28 1 0 0 0 0 2 78 1 0 0 0 0 3 29 2 0 0 0 0 4 28 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 14 1 0 0 0 0 8 18 2 0 0 0 0 9 15 1 0 0 0 0 9 19 2 0 0 0 0 10 13 1 0 0 0 0 10 20 2 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 12 13 1 0 0 0 0 12 27 2 0 0 0 0 13 26 2 0 0 0 0 14 15 1 0 0 0 0 14 24 2 0 0 0 0 15 25 2 0 0 0 0 16 23 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 51 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 60 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 61 1 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 30 34 2 0 0 0 0 30 46 1 0 0 0 0 31 35 2 0 0 0 0 31 47 1 0 0 0 0 32 36 2 0 0 0 0 32 48 1 0 0 0 0 33 37 2 0 0 0 0 33 49 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 37 45 1 0 0 0 0 38 42 2 0 0 0 0 38 56 1 0 0 0 0 39 43 2 0 0 0 0 39 57 1 0 0 0 0 40 44 2 0 0 0 0 40 58 1 0 0 0 0 41 45 2 0 0 0 0 41 59 1 0 0 0 0 42 52 1 0 0 0 0 43 53 1 0 0 0 0 44 54 1 0 0 0 0 45 55 1 0 0 0 0 46 48 1 0 0 0 0 46 52 2 0 0 0 0 47 49 1 0 0 0 0 47 53 2 0 0 0 0 48 54 2 0 0 0 0 49 55 2 0 0 0 0 50 73 1 0 0 0 0 50 94 1 0 0 0 0 50 95 1 0 0 0 0 51 72 1 0 0 0 0 51 96 1 0 0 0 0 51 97 1 0 0 0 0 52 62 1 0 0 0 0 53 63 1 0 0 0 0 54 64 1 0 0 0 0 55 65 1 0 0 0 0 56 57 1 0 0 0 0 56 69 2 0 0 0 0 57 68 2 0 0 0 0 58 59 1 0 0 0 0 58 67 2 0 0 0 0 59 66 2 0 0 0 0 60 74 1 0 0 0 0 60 98 1 0 0 0 0 60 99 1 0 0 0 0 61 75 1 0 0 0 0 61100 1 0 0 0 0 61101 1 0 0 0 0 62 64 2 0 0 0 0 62 69 1 0 0 0 0 63 65 2 0 0 0 0 63 68 1 0 0 0 0 64 67 1 0 0 0 0 65 66 1 0 0 0 0 66 71 1 0 0 0 0 67 70 1 0 0 0 0 68 71 1 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 72 75 2 0 0 0 0 72 77 1 0 0 0 0 73 74 2 0 0 0 0 73 76 1 0 0 0 0 74103 1 0 0 0 0 75102 1 0 0 0 0 76 80 1 0 0 0 0 76104 1 0 0 0 0 76105 1 0 0 0 0 77 81 1 0 0 0 0 77106 1 0 0 0 0 77107 1 0 0 0 0 78 83 1 0 0 0 0 78110 1 0 0 0 0 78111 1 0 0 0 0 79 82 1 0 0 0 0 79108 1 0 0 0 0 79109 1 0 0 0 0 80 84 1 0 0 0 0 80112 1 0 0 0 0 80113 1 0 0 0 0 81 85 1 0 0 0 0 81114 1 0 0 0 0 81115 1 0 0 0 0 82 86 2 0 0 0 0 82 89 1 0 0 0 0 83 87 2 0 0 0 0 83 88 1 0 0 0 0 84 90 2 0 0 0 0 84 92 1 0 0 0 0 85 91 2 0 0 0 0 85 93 1 0 0 0 0 86 90 1 0 0 0 0 86117 1 0 0 0 0 87 91 1 0 0 0 0 87116 1 0 0 0 0 88 93 2 0 0 0 0 88118 1 0 0 0 0 89 92 2 0 0 0 0 89119 1 0 0 0 0 90120 1 0 0 0 0 91121 1 0 0 0 0 92122 1 0 0 0 0 93123 1 0 0 0 0 M END > 16149602 > 0 > 3790 > 4 > 0 > 0 > AAADceB8OAAAAAAAAAAAAAAAGAAAAYMGDBgwYMGDAAAAAACBVAAAGgAAAAAADgCgmAIwCMAABACIAiDSCAACAAAgAAAIiAEACIgIJjaIMRiCMAAl4AEIqAeIyPCPwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C89H30O4/c90-81-89-82(91)93-20-26-11-5-22(6-12-26)2-8-24-14-16-84-71-51-39-27-28-38-30-32-40(28)52(51)72(84)56-44(32)36-34-42(30)54-58-46(34)62-64-48(36)60(56)76-68-67-75(86(76,84)18-24)59-47-35-33-41-29(31(39)43(35)55(59)71)37(27)49-50(38)70(54)83-15-13-23(7-1-21-3-9-25(10-4-21)19-92-81)17-85(83)73-57(53(41)69(49)83)45(33)61-63(47)79(67)87(89)77(61)65(73)66(74(58)85)78(62)88(87,89)80(64)68/h3-6,9-14H,1-2,7-8,15-20H2 > PGWUCQOJIFLHNQ-UHFFFAOYSA-N > 18 > 1162.214409 > C89H30O4 > 1163.1881 > C1CC2=CC=C(COC(=O)C34C(=O)OCC5=CC=C(CCC6=CCC78C9=C%10C%11=C%12C%13=C%14C%15=C%11C%11=C9C9=C%16C%17=C%18C%19=C%20C%21=C%17C(=C97)C7=C%21C9=C%17C33C44C%21=C(C%13=C%13C%14=C%14C%22=C%15C%11=C%16C%18=C%22C%11=C%19C%15=C%20C9=C3C3=C%15C9(C%14%11CC=C1C9)C%13=C3%21)C1=C4C3=C(C%10=C%121)C8(C6)C7=C3%17)C=C5)C=C2 > C1CC2=CC=C(COC(=O)C34C(=O)OCC5=CC=C(CCC6=CCC78C9=C%10C%11=C%12C%13=C%14C%15=C%11C%11=C9C9=C%16C%17=C%18C%19=C%20C%21=C%17C(=C97)C7=C%21C9=C%17C33C44C%21=C(C%13=C%13C%14=C%14C%22=C%15C%11=C%16C%18=C%22C%11=C%19C%15=C%20C9=C3C3=C%15C9(C%14%11CC=C1C9)C%13=C3%21)C1=C4C3=C(C%10=C%121)C8(C6)C7=C3%17)C=C5)C=C2 > 52.6 > 1162.214409 > 0 > 93 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 13 8 10 20 8 11 12 8 11 21 8 12 13 8 12 27 8 13 26 8 14 15 8 14 24 8 15 25 8 18 20 8 18 30 8 19 21 8 19 31 8 20 32 8 21 33 8 24 34 8 25 35 8 26 36 8 27 37 8 30 34 8 30 46 8 31 35 8 31 47 8 32 36 8 32 48 8 33 37 8 33 49 8 34 42 8 35 43 8 36 44 8 37 45 8 38 42 8 38 56 8 39 43 8 39 57 8 40 44 8 40 58 8 41 45 8 41 59 8 42 52 8 43 53 8 44 54 8 45 55 8 46 48 8 46 52 8 47 49 8 47 53 8 48 54 8 49 55 8 52 62 8 53 63 8 54 64 8 55 65 8 56 57 8 56 69 8 57 68 8 58 59 8 58 67 8 59 66 8 62 64 8 62 69 8 63 65 8 63 68 8 64 67 8 65 66 8 66 71 8 67 70 8 68 71 8 69 70 8 70 71 8 8 14 8 8 18 8 82 86 8 82 89 8 83 87 8 83 88 8 84 90 8 84 92 8 85 91 8 85 93 8 86 90 8 87 91 8 88 93 8 89 92 8 9 15 8 9 19 8 $$$$