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5.4710 -27.8559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3314 -28.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8230 -26.8085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6493 -27.4658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7875 -27.4831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 81 1 0 0 0 0 1 99 1 0 0 0 0 2 82 1 0 0 0 0 2100 1 0 0 0 0 3 83 1 0 0 0 0 3101 1 0 0 0 0 4 84 1 0 0 0 0 4102 1 0 0 0 0 5 85 1 0 0 0 0 5103 1 0 0 0 0 6 86 1 0 0 0 0 6104 1 0 0 0 0 7 87 1 0 0 0 0 7105 1 0 0 0 0 8 88 1 0 0 0 0 8106 1 0 0 0 0 9 81 2 0 0 0 0 10 82 2 0 0 0 0 11 83 2 0 0 0 0 12 84 2 0 0 0 0 13 85 2 0 0 0 0 14 86 2 0 0 0 0 15 87 2 0 0 0 0 16 88 2 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 25 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 19 33 1 0 0 0 0 19 37 1 0 0 0 0 20 26 1 0 0 0 0 20 34 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 21 35 1 0 0 0 0 21 39 1 0 0 0 0 22 27 1 0 0 0 0 22 36 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 23 41 1 0 0 0 0 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0 0 0 0 57 73 1 0 0 0 0 58 60 1 0 0 0 0 58 74 1 0 0 0 0 59 75 1 0 0 0 0 60 76 1 0 0 0 0 61 65 1 0 0 0 0 61 73 2 0 0 0 0 62 66 1 0 0 0 0 62 74 2 0 0 0 0 63 67 1 0 0 0 0 63 75 2 0 0 0 0 64 68 1 0 0 0 0 64 76 2 0 0 0 0 65 77 1 0 0 0 0 66 79 1 0 0 0 0 67 78 1 0 0 0 0 68 80 1 0 0 0 0 69 70 1 0 0 0 0 69 77 2 0 0 0 0 70 78 2 0 0 0 0 71 72 1 0 0 0 0 71 79 2 0 0 0 0 72 80 2 0 0 0 0 89 93 1 0 0 0 0 89127 1 0 0 0 0 89128 1 0 0 0 0 90 94 1 0 0 0 0 90129 1 0 0 0 0 90130 1 0 0 0 0 91 95 1 0 0 0 0 91131 1 0 0 0 0 91132 1 0 0 0 0 92 96 1 0 0 0 0 92133 1 0 0 0 0 92134 1 0 0 0 0 93 95 2 0 0 0 0 93 97 1 0 0 0 0 94 96 2 0 0 0 0 94 98 1 0 0 0 0 95135 1 0 0 0 0 96136 1 0 0 0 0 97107 1 0 0 0 0 97137 1 0 0 0 0 97138 1 0 0 0 0 98108 1 0 0 0 0 98139 1 0 0 0 0 98140 1 0 0 0 0 99109 1 0 0 0 0 99141 1 0 0 0 0 99142 1 0 0 0 0 100110 1 0 0 0 0 100143 1 0 0 0 0 100144 1 0 0 0 0 101111 1 0 0 0 0 101145 1 0 0 0 0 101146 1 0 0 0 0 102112 1 0 0 0 0 102147 1 0 0 0 0 102148 1 0 0 0 0 103113 1 0 0 0 0 103149 1 0 0 0 0 103150 1 0 0 0 0 104114 1 0 0 0 0 104151 1 0 0 0 0 104152 1 0 0 0 0 105115 1 0 0 0 0 105153 1 0 0 0 0 105154 1 0 0 0 0 106116 1 0 0 0 0 106155 1 0 0 0 0 106156 1 0 0 0 0 107117 1 0 0 0 0 107157 1 0 0 0 0 107158 1 0 0 0 0 108118 1 0 0 0 0 108159 1 0 0 0 0 108160 1 0 0 0 0 109119 2 0 0 0 0 109121 1 0 0 0 0 110120 2 0 0 0 0 110122 1 0 0 0 0 111161 1 0 0 0 0 111162 1 0 0 0 0 111163 1 0 0 0 0 112164 1 0 0 0 0 112165 1 0 0 0 0 112166 1 0 0 0 0 113167 1 0 0 0 0 113168 1 0 0 0 0 113169 1 0 0 0 0 114170 1 0 0 0 0 114171 1 0 0 0 0 114172 1 0 0 0 0 115173 1 0 0 0 0 115174 1 0 0 0 0 115175 1 0 0 0 0 116176 1 0 0 0 0 116177 1 0 0 0 0 116178 1 0 0 0 0 117124 2 0 0 0 0 117126 1 0 0 0 0 118123 2 0 0 0 0 118125 1 0 0 0 0 119123 1 0 0 0 0 119179 1 0 0 0 0 120124 1 0 0 0 0 120180 1 0 0 0 0 121125 2 0 0 0 0 121181 1 0 0 0 0 122126 2 0 0 0 0 122182 1 0 0 0 0 123183 1 0 0 0 0 124184 1 0 0 0 0 125185 1 0 0 0 0 126186 1 0 0 0 0 M END > 16148609 > 1 > 5290 > 16 > 0 > 18 > AAADcfB8PgAAAAAAAAAAAAAAGDAAAYMGDBgwYMGDBgwAAACBVAAAGgAAAAAADgCgmAIyCIAABACIAiDSCAACAAAgAAAIiAEACIgIJjaIMRiCMAAl4AEIqAeIyPCPwAACAAAQAACAAAQAACAAAQAACAAAAA== > hexaethyl 10,12-dioxo-9,13-dioxahentetracontacyclo[40.11.3.321,30.326,39.331,32.334,36.341,43.344,46.347,49.24,7.215,18.125,37.138,50.023,33.024,35.040,51.045,56.048,52.052,56.363,64.228,69.229,62.275,75.159,73.167,68.011,71.011,72.023,77.027,77.057,71.058,72.060,82.061,82.065,85.066,67.068,70.074,84.076,91.086,88.088,90.090,92]tetranonaconta-1(54),4,6,15,17,21(79),24,26(69),27,29,31(76),32,34(73),35,37(70),38,40(51),41(66),42,44,46(61),47,49(58),50(57),59,62,64,74(84),80,85,91,93-dotriacontaene-83,83,87,87,89,89-hexacarboxylate > 10,12-dioxo-9,13-dioxahentetracontacyclo[40.11.3.321,30.326,39.331,32.334,36.341,43.344,46.347,49.24,7.215,18.125,37.138,50.023,33.024,35.040,51.045,56.048,52.052,56.363,64.228,69.229,62.275,75.159,73.167,68.011,71.011,72.023,77.027,77.057,71.058,72.060,82.061,82.065,85.066,67.068,70.074,84.076,91.086,88.088,90.090,92]tetranonaconta-1(54),4,6,15,17,21(79),24,26(69),27,29,31(76),32,34(73),35,37(70),38,40(51),41(66),42,44,46(61),47,49(58),50(57),59,62,64,74(84),80,85,91,93-dotriacontaene-83,83,87,87,89,89-hexacarboxylic acid hexaethyl ester > hexaethyl 10,12-dioxo-9,13-dioxahentetracontacyclo[40.11.3.321,30.326,39.331,32.334,36.341,43.344,46.347,49.24,7.215,18.125,37.138,50.023,33.024,35.040,51.045,56.048,52.052,56.363,64.228,69.229,62.275,75.159,73.167,68.011,71.011,72.023,77.027,77.057,71.058,72.060,82.061,82.065,85.066,67.068,70.074,84.076,91.086,88.088,90.090,92]tetranonaconta-1(54),4,6,15,17,21(79),24,26(69),27,29,31(76),32,34(73),35,37(70),38,40(51),41(66),42,44,46(61),47,49(58),50(57),59,62,64,74(84),80,85,91,93-dotriacontaene-83,83,87,87,89,89-hexacarboxylate > hexaethyl 10,12-dioxo-9,13-dioxahentetracontacyclo[40.11.3.321,30.326,39.331,32.334,36.341,43.344,46.347,49.24,7.215,18.125,37.138,50.023,33.024,35.040,51.045,56.048,52.052,56.363,64.228,69.229,62.275,75.159,73.167,68.011,71.011,72.023,77.027,77.057,71.058,72.060,82.061,82.065,85.066,67.068,70.074,84.076,91.086,88.088,90.090,92]tetranonaconta-1(54),4,6,15,17,21(79),24,26(69),27,29,31(76),32,34(73),35,37(70),38,40(51),41(66),42,44,46(61),47,49(58),50(57),59,62,64,74(84),80,85,91,93-dotriacontaene-83,83,87,87,89,89-hexacarboxylate > hexaethyl 10,12-bis(oxidanylidene)-9,13-dioxahentetracontacyclo[40.11.3.321,30.326,39.331,32.334,36.341,43.344,46.347,49.24,7.215,18.125,37.138,50.023,33.024,35.040,51.045,56.048,52.052,56.363,64.228,69.229,62.275,75.159,73.167,68.011,71.011,72.023,77.027,77.057,71.058,72.060,82.061,82.065,85.066,67.068,70.074,84.076,91.086,88.088,90.090,92]tetranonaconta-1(54),4,6,15,17,21(79),24,26(69),27,29,31(76),32,34(73),35,37(70),38,40(51),41(66),42,44,46(61),47,49(58),50(57),59,62,64,74(84),80,85,91,93-dotriacontaene-83,83,87,87,89,89-hexacarboxylate > 10,12-diketo-9,13-dioxahentetracontacyclo[40.11.3.321,30.326,39.331,32.334,36.341,43.344,46.347,49.24,7.215,18.125,37.138,50.023,33.024,35.040,51.045,56.048,52.052,56.363,64.228,69.229,62.275,75.159,73.167,68.011,71.011,72.023,77.027,77.057,71.058,72.060,82.061,82.065,85.066,67.068,70.074,84.076,91.086,88.088,90.090,92]tetranonaconta-1(54),4,6,15,17,21(79),24,26(69),27,29,31(76),32,34(73),35,37(70),38,40(51),41(66),42,44,46(61),47,49(58),50(57),59,62,64,74(84),80,85,91,93-dotriacontaene-83,83,87,87,89,89-hexacarboxylic acid hexaethyl ester > InChI=1S/C110H60O16/c1-7-119-87(111)107(88(112)120-8-2)99-71-39-41-65-45-49-69-53-51-67-47-43-63(39)95(65)27-25-35(29-97(67,69)95)19-13-33-15-21-37(22-16-33)31-125-93(117)110-94(118)126-32-38-23-17-34(18-24-38)14-20-36-26-28-96-64-40-42-66(96)46-50-70-54-52-68(98(70,96)30-36)48-44(64)76-56(72(40)99)55(71)75(43)101-79(47)59-60(80(48)102(76,101)108(101,89(113)121-9-3)90(114)122-10-4)84(52)105(110,83(51)59)106(110)85(53)61-62(86(54)106)82(50)104-78(46)58-57(73(41)100(99,107)74(42)58)77(45)103(104,81(49)61)109(104,91(115)123-11-5)92(116)124-12-6/h15-18,21-26H,7-14,19-20,27-32H2,1-6H3 > CBXATZVUTMZZBP-UHFFFAOYSA-N > 13.4 > 1637.39149066 > C110H60O16 > 1637.6 > CCOC(=O)C1(C23C14C5=C6C7=C4C8=C9C1=C7C47C%10=C%11C%12=C%13C4(C6=C4C%13=C6C%13=C%12C%12%14C%11=C%11C%15=C%16C%12%12C%14%14C(=O)OCC%17=CC=C(CCC%18=CCC%19%20C4=C5C4=C%19C5=C%19C(=C42)C2=C3C8=C3C94CC=C(CCC8=CC=C(COC%14=O)C=C8)CC4(C%15=C4C3=C2C23C4=C%16C4=C(C%192C3(C(=O)OCC)C(=O)OCC)C5=C(C%206C%18)C%13=C%124)C%11=C1%10)C=C%17)C7(C(=O)OCC)C(=O)OCC)C(=O)OCC > CCOC(=O)C1(C23C14C5=C6C7=C4C8=C9C1=C7C47C%10=C%11C%12=C%13C4(C6=C4C%13=C6C%13=C%12C%12%14C%11=C%11C%15=C%16C%12%12C%14%14C(=O)OCC%17=CC=C(CCC%18=CCC%19%20C4=C5C4=C%19C5=C%19C(=C42)C2=C3C8=C3C94CC=C(CCC8=CC=C(COC%14=O)C=C8)CC4(C%15=C4C3=C2C23C4=C%16C4=C(C%192C3(C(=O)OCC)C(=O)OCC)C5=C(C%206C%18)C%13=C%124)C%11=C1%10)C=C%17)C7(C(=O)OCC)C(=O)OCC)C(=O)OCC > 210 > 1636.38813582 > 0 > 126 > 0 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 109 119 8 109 121 8 110 120 8 110 122 8 117 124 8 117 126 8 118 123 8 118 125 8 119 123 8 120 124 8 121 125 8 122 126 8 19 37 3 20 38 3 21 39 3 22 40 3 29 49 8 29 57 8 30 50 8 30 58 8 31 51 8 31 59 8 32 52 8 32 60 8 33 49 8 33 61 8 34 50 8 34 62 8 35 51 8 35 63 8 36 52 8 36 64 8 37 53 8 37 65 8 38 54 8 38 66 8 39 55 8 39 67 8 40 56 8 40 68 8 41 53 8 41 69 8 42 54 8 42 71 8 43 55 8 43 70 8 44 56 8 44 72 8 49 50 8 51 52 8 53 54 8 55 56 8 57 59 8 57 73 8 58 60 8 58 74 8 59 75 8 60 76 8 61 65 8 61 73 8 62 66 8 62 74 8 63 67 8 63 75 8 64 68 8 64 76 8 65 77 8 66 79 8 67 78 8 68 80 8 69 70 8 69 77 8 70 78 8 71 72 8 71 79 8 72 80 8 $$$$