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0 0 0 0 0 0 0 3.2707 -3.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.1743 -3.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.0421 -3.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.9642 -5.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.2707 -5.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.0964 -3.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.0964 -5.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.9642 -6.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.9642 -3.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.1385 -3.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.8678 -8.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.5971 -5.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.9642 -1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.8678 -7.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4450 -5.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.5971 -6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.8678 -5.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.0200 -13.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.2128 -13.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.7900 -6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.2349 -3.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.8678 -1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.6192 -5.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.6192 -3.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.7900 -1.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.3485 -1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.5193 -7.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.0964 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.4092 -3.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.3128 -1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.0421 -1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.7900 -3.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.4870 -3.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.4092 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.4870 -1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.5414 -3.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.5193 -8.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.5835 -3.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.4092 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17 1 1 1 20 1 1 6 2 17 1 0 2 21 1 0 3 26 1 0 3 28 1 0 18 4 1 6 26 5 1 6 5 36 1 0 19 6 1 6 22 7 1 1 7 48 1 0 23 8 1 1 8 50 1 0 27 9 1 1 10 37 1 0 10 41 1 0 29 11 1 6 12 41 2 0 13 44 2 0 16 14 1 1 14 39 1 0 14 40 1 0 15 42 1 0 15 51 1 0 15 52 1 0 16 18 1 0 16 19 1 0 17 18 1 0 19 21 1 0 20 24 1 0 20 25 1 0 21 32 1 1 22 23 1 0 22 26 1 0 23 27 1 0 24 30 1 0 24 31 1 6 25 29 1 0 25 38 1 6 27 28 1 0 28 43 1 6 29 35 1 0 30 34 1 0 31 42 1 0 33 36 1 1 33 37 1 0 33 45 1 0 34 44 1 0 34 53 1 6 35 41 1 0 37 49 1 6 44 47 1 0 45 46 2 0 46 54 1 0 46 58 1 0 47 54 2 0 49 59 1 0 51 55 1 0 52 56 1 0 55 57 1 0 55 60 1 6 56 57 1 0 56 61 1 6 M END > InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1 > JTSDBFGMPLKDCD-XVFHVFLVSA-N > 1/0/N:59,58,61,60,53,38,32,43,39,40,50,48,49,54,47,31,42,57,45,30,35,52,51,36,46,56,55,34,25,21,28,24,33,44,29,37,41,16,19,27,18,20,23,22,17,26,14,15,13,11,12,6,9,4,8,7,5,2,3,10,1/E:(3,4)(9,10)(22,23)(26,27)/it:26-,27+,28+,29-,30+,31+,32-,33+,35+,36+,38-,39+,40+,41+,42+,43+,44+,45-,46+/iN:59,58,60,61,53,38,32,43,39,40,50,48,49,54,47,31,42,57,45,30,35,51,52,36,46,55,56,34,25,21,28,24,33,44,29,37,41,16,19,27,18,20,23,22,17,26,14,15,13,11,12,6,9,4,8,7,5,2,3,10,1/rA:61cOOOOOOOOOOOOONNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:;;;;;;;;;;;;;;p14;p1s2;n4s16s17;n6s16;n1;s2s19;p7;p8s22;s20;s20;s3n5s22;p9s23;s3s27;n11s25;s24;N24;P21;;s30;s29;s5P33;s10s33;N25;s14;s14;s10d12s35;s15s31;N28;d13s34;s33;d45;s44;s7;N37;s8;s15;s15;N34;s46d47;s51;s52;s55s56;s46;s49;N55;N56;/rC:15.1827,-7.6192,0;12.1164,-8.9201,0;2.1743,-5.6494,0;14.2907,-11.4288,0;4.3485,-5.6494,0;9.8678,-11.4288,0;4.3485,-3.1406,0;2.1743,-1.9141,0;0,-3.1406,0;7.6936,-7.5635,0;12.0421,-7.5635,0;8.79,-5.6494,0;9.8678,0,0;12.1164,-12.7297,0;15.3128,-3.1406,0;12.1164,-11.4288,0;13.2128,-9.6077,0;13.2128,-10.8156,0;10.9642,-10.8156,0;12.0421,-5.0361,0;10.9642,-9.6077,0;3.2707,-3.8096,0;2.1743,-3.1406,0;12.0421,-3.7539,0;10.9642,-5.6494,0;3.2707,-5.0361,0;1.0964,-3.8096,0;1.0964,-5.0361,0;10.9642,-6.8759,0;10.9642,-3.1406,0;13.1385,-3.1406,0;9.8678,-8.9201,0;6.5971,-5.6494,0;10.9642,-1.9141,0;9.8678,-7.5635,0;5.445,-5.0361,0;6.5971,-6.9502,0;9.8678,-5.0361,0;11.02,-13.3429,0;13.2128,-13.3429,0;8.79,-6.9502,0;14.2349,-3.8096,0;0,-5.7237,0;9.8678,-1.2265,0;7.6192,-5.0361,0;7.6192,-3.7539,0;8.79,-1.8398,0;4.3485,-1.9141,0;5.5193,-7.5635,0;1.0964,-1.3008,0;16.4092,-3.8096,0;15.3128,-1.9141,0;12.0421,-1.2265,0;8.79,-3.1406,0;17.487,-3.1964,0;16.4092,-1.3008,0;17.487,-1.9141,0;6.5414,-3.1406,0;5.5193,-8.8457,0;18.5835,-3.8096,0;16.4092,0,0; > C46 H80 N2 O13 > 869.133 > O([C@@H]1[C@@H](C)[C@@H](CC(=O)O[C@H](CC)[C@H](C=C(C)C=CC([C@H](C)C[C@@H]1CCN1C[C@H](C)C[C@H](C)C1)=O)CO[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](C)O1)O)OC)OC)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C)O1)O)N(C)C)O |c:13,t:16| > 4445656 $$$$