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0 0 0 0 0 0 0 0 0 0 7.0889 -1.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2165 3.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6701 1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2476 2.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 -0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6139 0.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -1.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3580 4.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7054 0.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 5.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0522 1.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -1.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0596 2.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -1.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7950 2.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6701 -0.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 2.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9237 3.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6194 4.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2457 3.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7675 1.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7066 -1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4756 -1.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8629 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 2.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -2.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5591 5.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 3.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6871 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 6.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0021 4.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 0.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -3.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 -4.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0272 4.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5363 5.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -5.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -2.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 5.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 2.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -3.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1872 3.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1861 4.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -4.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -3.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -1.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3655 3.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -2.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2184 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3561 0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2066 -0.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 -3.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1184 5.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7066 -0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3180 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4150 -3.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0570 -1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2636 -4.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5181 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3204 -4.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0295 -2.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2772 -4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 -2.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0095 -5.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9349 -3.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9734 -5.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9812 -2.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3226 -5.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1356 -3.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5945 -6.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9184 -4.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0491 5.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6016 5.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9047 -0.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7380 0.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 -0.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 -1.2842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0202 -3.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0106 -2.8757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3886 4.9978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6764 5.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8482 6.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 -0.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0166 0.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1697 0.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0507 -1.0469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1786 -4.8119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0895 -2.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8678 -6.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7443 -2.7325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5541 -2.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2180 -1.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1128 -4.6226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7392 -5.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5325 -5.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0807 -4.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8525 -3.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0495 -6.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7963 -6.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4639 -5.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2987 -4.4531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 50 1 0 0 0 0 1 87 1 0 0 0 0 2 51 1 0 0 0 0 2 88 1 0 0 0 0 3 52 1 0 0 0 0 3 89 1 0 0 0 0 4 53 1 0 0 0 0 4 90 1 0 0 0 0 5 50 2 0 0 0 0 6 51 2 0 0 0 0 7 52 2 0 0 0 0 8 53 2 0 0 0 0 9 99 1 0 0 0 0 9108 1 0 0 0 0 9109 1 0 0 0 0 10100 1 0 0 0 0 10107 1 0 0 0 0 10109 1 0 0 0 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1 0 0 0 0 45 54 2 0 0 0 0 46 47 1 0 0 0 0 46 59 2 0 0 0 0 47 48 2 0 0 0 0 48 63 1 0 0 0 0 49 54 1 0 0 0 0 49 65 1 0 0 0 0 54 66 1 0 0 0 0 55 66 1 0 0 0 0 55 69 2 0 0 0 0 56 59 1 0 0 0 0 56 73 2 0 0 0 0 57 65 2 0 0 0 0 57 70 1 0 0 0 0 58 67 1 0 0 0 0 58 68 2 0 0 0 0 59 63 1 0 0 0 0 60 69 1 0 0 0 0 60 71 1 0 0 0 0 61 68 1 0 0 0 0 61 71 1 0 0 0 0 62 70 1 0 0 0 0 62 72 1 0 0 0 0 63 67 2 0 0 0 0 64 72 1 0 0 0 0 64 75 2 0 0 0 0 65 74 1 0 0 0 0 66 74 2 0 0 0 0 67 76 1 0 0 0 0 68 77 1 0 0 0 0 69 78 1 0 0 0 0 70 80 2 0 0 0 0 71 81 2 0 0 0 0 72 82 2 0 0 0 0 73 75 1 0 0 0 0 73 76 1 0 0 0 0 74 79 1 0 0 0 0 75 83 1 0 0 0 0 76 77 2 0 0 0 0 77 84 1 0 0 0 0 78 79 2 0 0 0 0 78 85 1 0 0 0 0 79 80 1 0 0 0 0 80 86 1 0 0 0 0 81 84 1 0 0 0 0 81 85 1 0 0 0 0 82 83 1 0 0 0 0 82 86 1 0 0 0 0 83 84 2 0 0 0 0 85 86 2 0 0 0 0 87 91 1 0 0 0 0 87110 1 0 0 0 0 87111 1 0 0 0 0 88 93 1 0 0 0 0 88112 1 0 0 0 0 88113 1 0 0 0 0 89 92 1 0 0 0 0 89114 1 0 0 0 0 89115 1 0 0 0 0 90 94 1 0 0 0 0 90116 1 0 0 0 0 90117 1 0 0 0 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InChI=1S/C99H30N2O8/c1-5-106-90(102)98-92(104)108-13-20-9-22-18(7-16(20)3)11-101-15-100(22)12-19-8-17(4)21(10-23(19)101)14-109-93(105)99(91(103)107-6-2)95-83-67-51-38-34-33-26-28-32-25-24-29(26)44-55-41-30(24)27-31(25)45-56-42(32)50-36(28)37(34)52-47-40(38)54-49-60(47)76-80-64-62(49)78(87(95)70(54)67)81-65(64)63-61-48-39(53(41)69-77(61)88(81)96(95,99)85(69)73(55)72(83)57(44)43(33)51)35(27)46-58(45)74-71(56)82-66(50)68(52)84(76)94(82,98)97(98)86(74)75(59(46)48)79(63)89(80)97/h7-10H,5-6,11-15H2,1-4H3/t94?,95?,96?,97?,98-,99-/m0/s1 > NTCWGAKDAJEJCB-ATNXPCQWSA-N > 17.6 > 1375.203571 > C99H30N2O8 > 1375.3061 > CCOC(=O)C12C(=O)OCC3=C(C=C4CN5CN(C4=C3)CC6=CC(=C(COC(=O)C7(C89C73C4=C7C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%14=C%14C%18=C%13C%11=C%11C%13=C%19C11C%11=C%18C%11=C%14C%14=C%17C%17=C%18C%16=C%16C%20=C(C3=C7C%12=C%15%20)C3=C%16C7=C%12C%15=C%16C%20=C%21C%22=C%16C(=C8C8=C4C(=C%10%13)C(=C%228)C%19=C%21C4=C8C%20=C(C%15=C%187)C%17=C%14C8=C%11C124)C%12=C93)C(=O)OCC)C=C65)C)C > CCOC(=O)[C@@]12C(=O)OCC3=C(C=C4CN5CN(C4=C3)CC6=CC(=C(COC(=O)[C@]7(C89C73C4=C7C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%14=C%14C%18=C%13C%11=C%11C%13=C%19C11C%11=C%18C%11=C%14C%14=C%17C%17=C%18C%16=C%16C%20=C(C3=C7C%12=C%15%20)C3=C%16C7=C%12C%15=C%16C%20=C%21C%22=C%16C(=C8C8=C4C(=C%10%13)C(=C%228)C%19=C%21C4=C8C%20=C(C%15=C%187)C%17=C%14C8=C%11C214)C%12=C93)C(=O)OCC)C=C65)C)C > 112 > 1374.200216 > 0 > 109 > 2 > 4 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 100 104 8 101 103 8 102 104 8 11 20 3 12 23 3 13 21 3 14 24 3 15 50 5 16 52 6 17 25 8 17 29 8 18 27 8 18 28 8 19 26 8 19 32 8 20 33 8 20 35 8 21 31 8 21 37 8 22 30 8 22 36 8 23 34 8 23 38 8 24 40 8 24 42 8 25 26 8 25 39 8 26 44 8 27 30 8 27 41 8 28 31 8 28 43 8 29 33 8 29 45 8 30 46 8 31 49 8 32 34 8 32 48 8 33 55 8 34 58 8 35 38 8 35 60 8 36 42 8 36 56 8 37 40 8 37 57 8 38 61 8 39 41 8 39 43 8 40 62 8 41 44 8 42 64 8 43 45 8 44 47 8 45 54 8 46 47 8 46 59 8 47 48 8 48 63 8 49 54 8 49 65 8 54 66 8 55 66 8 55 69 8 56 59 8 56 73 8 57 65 8 57 70 8 58 67 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