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0 0 0 0 0 0 0 0 0 0 0 0 12.3308 -1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2965 1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0285 1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 2.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4025 0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9893 2.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2572 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4965 0.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9854 3.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4965 1.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4025 2.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1019 0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8945 2.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6324 0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9320 0.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1136 4.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8244 1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 -1.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5193 -1.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4714 -2.6260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9771 -3.1506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7170 -1.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 -3.2285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2262 -2.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6829 -1.2795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9344 -0.8228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2773 -2.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3576 -2.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8024 -3.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3191 -4.2839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0275 -3.7672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9372 -2.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4261 -1.4661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6982 -0.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4619 -0.4777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2511 -0.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 -1.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7489 -2.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6066 -1.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3028 -3.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 -0.5060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3525 -3.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3081 -1.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6046 -4.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3919 -3.8416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0061 -3.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9978 -5.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8726 -5.3663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9320 -4.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6893 0.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1812 -1.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9325 -1.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4805 -0.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2036 1.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5994 2.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6462 2.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0474 1.8124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0391 3.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6432 3.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5964 3.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1952 3.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6526 1.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9444 -0.5007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2045 1.5223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4315 2.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5845 2.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8302 1.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7336 4.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1112 5.5191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4936 4.8968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4201 2.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6524 2.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2288 1.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6994 3.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9546 3.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 1 0 0 0 1 31 1 0 0 0 0 18 2 1 1 0 0 0 2 77 1 0 0 0 0 22 3 1 1 0 0 0 3 82 1 0 0 0 0 24 4 1 6 0 0 0 4 34 1 0 0 0 0 5 32 1 0 0 0 0 5 35 1 0 0 0 0 6 35 1 0 0 0 0 6 39 1 0 0 0 0 7 31 2 0 0 0 0 8 38 2 0 0 0 0 9 45 1 0 0 0 0 9116 1 0 0 0 0 10 53 1 0 0 0 0 10117 1 0 0 0 0 11 46 2 0 0 0 0 12 57 2 0 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 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0 0 0 0 41 54 2 0 0 0 0 41 92 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 43 45 1 0 0 0 0 43 53 1 0 0 0 0 44 45 2 0 0 0 0 44 55 1 0 0 0 0 46 49 1 0 0 0 0 47 51 1 0 0 0 0 47 96 1 0 0 0 0 47 97 1 0 0 0 0 48 50 1 0 0 0 0 48 98 1 0 0 0 0 48 99 1 0 0 0 0 49 52 1 0 0 0 0 49 56 2 0 0 0 0 50100 1 0 0 0 0 50101 1 0 0 0 0 51102 1 0 0 0 0 51103 1 0 0 0 0 52 53 2 0 0 0 0 54 57 1 0 0 0 0 54 59 1 0 0 0 0 55106 1 0 0 0 0 55107 1 0 0 0 0 55108 1 0 0 0 0 56105 1 0 0 0 0 58110 1 0 0 0 0 58111 1 0 0 0 0 58112 1 0 0 0 0 59113 1 0 0 0 0 59114 1 0 0 0 0 59115 1 0 0 0 0 M END > 5381226 > 1 > 1750 > 15 > 6 > 5 > AAADcfB/vAAAAAAAAAAAAAAAAAAAASAAAAA8QIAAAAAAAEiBAAAAHgAYCAAADRzhmAYCDoPiBgCIAqXWWAKCCAAkIAAYqIFMCMgcdz6GtR62eWCl5BWMucfb7PzO4AADCAAYAADAAAYQADAAAAAAAAAAAA== > InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 > FZYOVNIOYYPUPY-ZTWDQPHTSA-N > 4 > 822.405123 > C43H58N4O12 > 822.94022 > CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C > C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C > 217 > 822.405123 > 0 > 59 > 9 > 0 > 4 > 0 > 0 > 1 > 1000 > 1 5 255 > 19 1 5 17 23 5 18 2 5 20 26 6 21 27 6 25 28 5 22 3 5 35 42 5 37 39 8 37 40 8 39 44 8 24 4 6 40 43 8 43 45 8 44 45 8 $$$$