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0 0 0 0 0 0 0 0 0 0 0 7.0889 -1.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2165 3.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6701 1.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2476 2.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6139 -0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -1.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3580 4.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7054 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 5.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0522 1.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -2.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0596 2.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 1.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 0.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 -0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7950 2.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6701 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9237 2.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6194 3.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -2.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2457 3.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7675 1.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2166 -1.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4756 -1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8629 -2.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 2.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -3.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5591 5.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 2.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6871 -1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 5.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0021 4.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -3.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 -4.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0272 4.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5363 5.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -5.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -2.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 5.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 2.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -4.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 2.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1872 3.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1861 4.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -5.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -4.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -3.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 1.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3655 3.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -3.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -2.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2184 4.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3561 -0.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6095 -0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 -3.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1184 5.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9924 0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3180 -1.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4150 -4.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2087 -1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2636 -5.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0570 -1.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3204 -4.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 -2.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2772 -4.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3140 -2.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0095 -5.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5379 -3.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9734 -5.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0324 -0.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3226 -5.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2532 -4.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0148 -5.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1356 -4.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0491 5.5294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6016 4.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9047 -0.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7380 -0.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0626 -0.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8021 -1.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0202 -3.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0106 -3.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3886 4.8108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6764 5.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8482 5.9268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4803 0.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 0.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5045 -0.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6300 -2.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1786 -4.9990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8869 -2.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8678 -6.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3840 -1.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5430 -0.5718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6808 -0.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1128 -4.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7392 -5.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5325 -5.9765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0521 -5.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7958 -5.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9420 -5.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6085 -5.5184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0807 -4.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8525 -3.4992 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 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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 > 1375.20357075 > C99H30N2O8 > 1375.3 > CCOC(=O)C12C(=O)OCC3=CC4=C(CN5CN4CC6=C5C=C(COC(=O)C7(C89C74C5=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(C4=C7C%12=C%15%20)C4=C%16C7=C%12C%15=C%16C%20=C%21C%22=C%16C(=C8C8=C5C(=C%10%13)C(=C%228)C%19=C%21C5=C8C%20=C(C%15=C%187)C%17=C%14C8=C%11C125)C%12=C94)C(=O)OCC)C(=C6)C)C=C3C > CCOC(=O)[C@@]12C(=O)OCC3=CC4=C(CN5CN4CC6=C5C=C(COC(=O)[C@]7(C89C74C5=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(C4=C7C%12=C%15%20)C4=C%16C7=C%12C%15=C%16C%20=C%21C%22=C%16C(=C8C8=C5C(=C%10%13)C(=C%228)C%19=C%21C5=C8C%20=C(C%15=C%187)C%17=C%14C8=C%11C215)C%12=C94)C(=O)OCC)C(=C6)C)C=C3C > 112 > 1374.20021592 > 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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