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0 0 0 0 0 0 0 0 0 0 0 8.5033 -0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6816 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2954 2.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2834 -1.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5062 1.4423 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8607 -0.5897 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5033 1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4814 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5276 0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7458 0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3974 -2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4429 3.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9165 0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2450 -0.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4953 -1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4371 2.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3974 3.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1531 -2.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4953 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1294 -1.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6746 -3.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9077 4.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8923 3.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6789 -3.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4644 -1.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4394 2.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0018 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9568 0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9863 1.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3208 -0.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4819 2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0311 -2.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6959 -2.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2207 3.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0327 1.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8971 4.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7027 -3.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7220 2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9241 -1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0051 -3.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1453 3.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9452 -1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9377 2.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0645 3.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8716 -4.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2957 1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0007 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9176 -2.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0233 3.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 4.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6793 -3.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8808 -3.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2065 -0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9002 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8677 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5486 -1.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4834 -0.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6834 -1.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8231 -1.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8143 1.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5553 -0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0755 2.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2993 -1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3837 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9940 -1.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9083 1.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4567 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4307 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9446 -1.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 3.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6886 -2.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5246 1.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3833 -2.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8460 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9315 1.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4336 -0.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2963 2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0150 -1.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3961 -0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3869 -0.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8095 0.9038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2561 0.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6302 -2.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1637 -1.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0020 -0.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9825 -0.9320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3019 -2.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0583 -2.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2071 -1.5083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7332 -2.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5666 2.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7880 3.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8112 -1.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5911 -2.1629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8747 3.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0962 3.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5059 -2.3561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2857 -2.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3027 1.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7755 0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5139 1.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0633 -0.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5848 0.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8500 -0.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9396 2.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7182 2.0061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4327 -1.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6529 -1.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1829 3.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4043 3.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2005 -2.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9804 -2.8788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4178 4.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5419 4.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5822 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 2.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3918 1.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1302 1.8168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9690 -3.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8445 -3.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7976 -2.2285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4526 -1.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9741 -0.4366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2394 -0.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 81 1 0 0 0 0 2 26 1 0 0 0 0 2 82 1 0 0 0 0 3 81 2 0 0 0 0 4 82 2 0 0 0 0 5 83 1 0 0 0 0 5 85 1 0 0 0 0 5 87 1 0 0 0 0 6 84 1 0 0 0 0 6 86 1 0 0 0 0 6 88 1 0 0 0 0 7 91 1 0 0 0 0 7 93 1 0 0 0 0 7 94 1 0 0 0 0 8 92 1 0 0 0 0 8 95 1 0 0 0 0 8 96 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 11 25 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 24 2 0 0 0 0 19 31 1 0 0 0 0 20 23 2 0 0 0 0 20 32 1 0 0 0 0 21 33 2 0 0 0 0 21 35 1 0 0 0 0 22 34 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 49 1 0 0 0 0 25 97 1 0 0 0 0 26 50 1 0 0 0 0 26 98 1 0 0 0 0 27 33 1 0 0 0 0 27 39 2 0 0 0 0 28 34 1 0 0 0 0 28 40 2 0 0 0 0 29 49 2 0 0 0 0 29 75 1 0 0 0 0 30 50 2 0 0 0 0 30 76 1 0 0 0 0 31 35 2 0 0 0 0 31 41 1 0 0 0 0 32 36 2 0 0 0 0 32 42 1 0 0 0 0 33 47 1 0 0 0 0 34 48 1 0 0 0 0 35 45 1 0 0 0 0 36 46 1 0 0 0 0 37 39 1 0 0 0 0 37 43 2 0 0 0 0 38 40 1 0 0 0 0 38 44 2 0 0 0 0 39 51 1 0 0 0 0 40 52 1 0 0 0 0 41 44 1 0 0 0 0 41 53 2 0 0 0 0 42 43 1 0 0 0 0 42 54 2 0 0 0 0 43 57 1 0 0 0 0 44 58 1 0 0 0 0 45 53 1 0 0 0 0 45 55 2 0 0 0 0 46 54 1 0 0 0 0 46 56 2 0 0 0 0 47 55 1 0 0 0 0 47 59 2 0 0 0 0 48 56 1 0 0 0 0 48 60 2 0 0 0 0 49 99 1 0 0 0 0 50100 1 0 0 0 0 51 57 2 0 0 0 0 51 59 1 0 0 0 0 52 58 2 0 0 0 0 52 60 1 0 0 0 0 53 61 1 0 0 0 0 54 62 1 0 0 0 0 55 63 1 0 0 0 0 56 64 1 0 0 0 0 57 65 1 0 0 0 0 58 66 1 0 0 0 0 59 67 1 0 0 0 0 60 68 1 0 0 0 0 61 66 1 0 0 0 0 61 69 2 0 0 0 0 62 65 1 0 0 0 0 62 70 2 0 0 0 0 63 67 2 0 0 0 0 63 69 1 0 0 0 0 64 68 2 0 0 0 0 64 70 1 0 0 0 0 65 71 2 0 0 0 0 66 72 2 0 0 0 0 67 71 1 0 0 0 0 68 72 1 0 0 0 0 69 73 1 0 0 0 0 70 74 1 0 0 0 0 71 74 1 0 0 0 0 72 73 1 0 0 0 0 73 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AAADcfB/uAAAAAAAAAAAAAAAAAAAAQIECBAgQIECAAAAAEAAAAAAHgAAAAAADhThgAYCCAMABACIAiDSCAAAAAAgAAAACACIAAgKBAIAYSAHEAAEwACYoAOAwOAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > InChI=1S/C88H50N4O4/c1-89(2)15-11-17-91(5)21-27(93)95-25-19-23-13-9-7-8-10-14-24-20-26(96-28(94)22-92(6)18-12-16-90(3)4)88-80-68-60-50-42-34-29-30-32-35-39-33(30)41-37-31(29)36-40(34)52(60)58-54-43(36)47-45(37)55-49(41)59-51(39)57-53-44(35)48-46(38(32)42)56(50)70(80)72-62(48)64(53)74-76(82(72)88)83-84-75-73(78(66(58)68)86(24,84)88)63(54)61(47)71-69(55)79-67(59)65(57)77(74)85(23,83)87(25,79)81(71)75/h19-20,25-26H,7-18,21-22H2,1-6H3 > LBKOEYVEVUIJIX-UHFFFAOYSA-N > 17.5 > 1226.38320609 > C88H50N4O4 > 1227.4 > CN(C)CCCN(C)CC(=O)OC1C=C2CCCCCCC3=CC(C45C36C7=C8C9=C3C%10=C%11C9=C9C%12=C%13C11C9=C8C6=C6C12C1=C2C6=C4C4=C6C2=C2C8=C6C6=C9C4=C5C4=C7C3=C3C4=C9C4=C6C5=C8C6=C7C5=C5C4=C3C%10=C5C3=C7C(=C4C6=C2C1=C4%13)C%12=C3%11)OC(=O)CN(C)CCCN(C)C > CN(C)CCCN(C)CC(=O)OC1C=C2CCCCCCC3=CC(C45C36C7=C8C9=C3C%10=C%11C9=C9C%12=C%13C11C9=C8C6=C6C12C1=C2C6=C4C4=C6C2=C2C8=C6C6=C9C4=C5C4=C7C3=C3C4=C9C4=C6C5=C8C6=C7C5=C5C4=C3C%10=C5C3=C7C(=C4C6=C2C1=C4%13)C%12=C3%11)OC(=O)CN(C)CCCN(C)C > 65.6 > 1226.38320609 > 0 > 96 > 0 > 6 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 25 1 3 10 20 3 11 21 3 12 22 3 13 14 8 13 18 8 14 17 8 15 17 8 15 27 8 16 18 8 16 28 8 17 23 8 18 24 8 19 24 8 19 31 8 26 2 3 20 23 8 20 32 8 21 33 8 21 35 8 22 34 8 22 36 8 23 37 8 24 38 8 27 33 8 27 39 8 28 34 8 28 40 8 31 35 8 31 41 8 32 36 8 32 42 8 33 47 8 34 48 8 35 45 8 36 46 8 37 39 8 37 43 8 38 40 8 38 44 8 39 51 8 40 52 8 41 44 8 41 53 8 42 43 8 42 54 8 43 57 8 44 58 8 45 53 8 45 55 8 46 54 8 46 56 8 47 55 8 47 59 8 48 56 8 48 60 8 51 57 8 51 59 8 52 58 8 52 60 8 53 61 8 54 62 8 55 63 8 56 64 8 57 65 8 58 66 8 59 67 8 60 68 8 61 66 8 61 69 8 62 65 8 62 70 8 63 67 8 63 69 8 64 68 8 64 70 8 65 71 8 66 72 8 67 71 8 68 72 8 69 73 8 70 74 8 71 74 8 72 73 8 73 74 8 9 19 3 $$$$