79 85 0 0001 0 0 0 0 0999 V2000 23.8006 -8.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 19.0681 -10.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.0774 -5.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 11.2638 -8.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 14.3357 -6.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 16.4390 -9.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 25.4334 -7.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 27.6751 -7.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 17.6014 -9.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.5110 -4.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.3929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 17.5183 -3.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 21.3652 -10.1291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 24.9629 -10.0461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 7.9428 -7.4169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 13.1457 -8.4686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 10.4889 -6.5037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 19.0958 -7.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 5.6457 -6.0885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 10.1844 -3.5978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 15.7471 -7.6107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.1587 -5.5627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 14.7232 -2.6291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 19.8431 -3.5701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 13.5331 -0.6089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 15.8025 -0.6365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 22.6659 -10.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 23.8006 -9.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 20.2305 -9.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9944 -8.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.9151 -6.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 20.2305 -8.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 26.1530 -9.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7804 -5.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 23.1364 -11.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 21.0054 -11.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0258 -3.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.1697 -9.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.2398 -7.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.4132 -2.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.1734 -7.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.7619 -6.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7804 -4.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 25.1013 -11.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7693 -2.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 22.1124 -12.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8634 -8.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.4427 -8.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.5793 -9.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 21.3652 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 27.0386 -10.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 26.4297 -8.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.9335 -8.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.1328 -4.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.0202 -7.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.0663 -9.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 26.4021 -11.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.3062 -9.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.7545 -10.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.4834 -5.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.7214 -1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.4815 -10.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.4058 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.0110 -4.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3764 -6.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 21.3929 -6.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.3579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.4076 -5.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7140 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 22.5275 -8.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.2657 -7.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.2564 -4.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.3007 -6.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9649 -7.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.7084 -5.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 22.5275 -5.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.4778 -3.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.6807 -4.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.6955 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 28 2 0 2 29 2 0 3 31 2 0 4 39 2 0 5 41 2 0 6 48 2 0 7 52 2 0 8 52 1 0 9 53 2 0 10 60 2 0 11 73 2 0 12 78 2 0 13 27 1 0 13 29 1 0 13 36 1 0 14 28 1 0 14 33 1 0 14 44 1 0 15 30 1 0 15 31 1 0 15 47 1 0 16 38 1 0 16 41 1 0 16 56 1 0 17 39 1 0 17 42 1 0 18 32 1 0 18 53 1 0 19 34 1 0 19 60 1 0 20 45 1 0 20 54 1 0 21 48 1 0 21 55 1 0 22 65 1 0 22 73 1 0 23 77 1 0 23 79 1 0 24 78 1 0 25 79 2 3 26 79 1 0 27 28 1 0 27 35 1 6 29 32 1 0 30 39 1 0 30 49 1 6 31 34 1 0 32 50 1 1 33 51 1 6 33 52 1 0 34 43 1 1 35 46 1 0 36 46 1 0 37 40 1 0 37 43 1 0 37 54 2 0 38 48 1 0 38 59 1 6 40 45 2 0 40 61 1 0 41 42 1 0 42 64 1 1 44 57 1 0 45 63 1 0 47 58 1 0 49 58 1 0 50 66 1 0 50 70 1 6 51 57 1 0 53 55 1 0 55 68 1 1 56 62 1 0 59 62 1 0 60 65 1 0 61 67 2 0 63 69 2 0 64 72 1 0 65 71 1 6 66 76 1 0 67 69 1 0 68 75 1 0 71 74 1 0 72 77 1 0 73 74 1 0 75 78 1 0 M END > InChI=1S/C53H76N14O12/c1-3-29(2)43(51(77)66-25-9-16-39(66)50(76)67-26-10-17-40(67)52(78)79)63-45(71)34(18-20-41(54)68)60-46(72)37-14-7-23-64(37)48(74)35(13-6-22-57-53(55)56)61-47(73)38-15-8-24-65(38)49(75)36(62-44(70)33-19-21-42(69)59-33)27-30-28-58-32-12-5-4-11-31(30)32/h4-5,11-12,28-29,33-40,43,58H,3,6-10,13-27H2,1-2H3,(H2,54,68)(H,59,69)(H,60,72)(H,61,73)(H,62,70)(H,63,71)(H,78,79)(H4,55,56,57)/t29-,33-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1 > UUUHXMGGBIUAPW-CSCXCSGISA-N > 1/1/N:76,70,66,67,69,72,62,58,46,57,61,63,64,59,49,35,51,68,71,75,74,77,56,47,36,44,43,54,50,37,40,45,65,55,42,34,38,30,27,33,78,73,32,60,53,48,39,41,31,28,29,52,79,24,25,26,23,20,22,21,17,19,18,16,15,13,14,12,11,10,9,6,4,5,3,1,2,7,8/E:(55,56)(78,79)/it:im/rA:79cOOOOOOOOOOOONNNNNNNNNNNNNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:;;;;;;;;;;;;;;;;;;;;;;;;;s13;d1s14s27;d2s13;s15;d3s15;s18s29;s14;s19s31;N27;s13;;s16;d4s17s30;s37;d5s16;s17s41;P34s37;s14;s20d40;s35s36;s15;d6s21s38;N30;P32;N33;d7s8s33;d9s18;s20d37;s21s53;s16;s44s51;s47s49;N38;d10s19;s40;s56s59;s45;P42;s22s60;s50;d61;P55;d63s67;N50;N65;s64;d11s22;s71s73;s68;s66;s23s72;d12s24s75;s23w25s26;/rC:23.8006,-8.0811,0;19.0681,-10.1291,0;9.0774,-5.4243,0;11.2638,-8.69,0;14.3357,-6.5313,0;16.439,-9.8247,0;25.4334,-7.3339,0;27.6751,-7.8044,0;17.6014,-9.4095,0;4.511,-4.0959,0;0,-6.3929,0;17.5183,-3.4594,0;21.3652,-10.1291,0;24.9629,-10.0461,0;7.9428,-7.4169,0;13.1457,-8.4686,0;10.4889,-6.5037,0;19.0958,-7.5,0;5.6457,-6.0885,0;10.1844,-3.5978,0;15.7471,-7.6107,0;2.1587,-5.5627,0;14.7232,-2.6291,0;19.8431,-3.5701,0;13.5331,-.6089,0;15.8025,-.6365,0;22.6659,-10.1291,0;23.8006,-9.4095,0;20.2305,-9.4649,0;8.9944,-8.1918,0;7.9151,-6.0885,0;20.2305,-8.1642,0;26.153,-9.5202,0;6.7804,-5.452,0;23.1364,-11.2914,0;21.0054,-11.4021,0;8.0258,-3.6531,0;14.1697,-9.2712,0;10.2398,-7.7767,0;8.4132,-2.3247,0;13.1734,-7.1402,0;11.7619,-6.0885,0;6.7804,-4.1236,0;25.1013,-11.3745,0;9.7693,-2.3801,0;22.1124,-12.1217,0;6.8634,-8.1918,0;15.4427,-8.9114,0;8.5793,-9.4649,0;21.3652,-7.5,0;27.0386,-10.4889,0;26.4297,-8.2195,0;17.9335,-8.1365,0;9.1328,-4.4003,0;17.0202,-7.1955,0;12.0663,-9.2158,0;26.4021,-11.6235,0;7.3062,-9.4649,0;13.7545,-10.5165,0;4.4834,-5.452,0;7.7214,-1.2454,0;12.4815,-10.5719,0;10.4058,-1.19,0;12.011,-4.7878,0;3.3764,-6.1162,0;21.3929,-6.1715,0;8.3579,0,0;17.4076,-5.9501,0;9.714,-.0277,0;22.5275,-8.1642,0;3.2657,-7.4169,0;13.2564,-4.3727,0;1.3007,-6.5313,0;1.9649,-7.6937,0;18.7084,-5.535,0;22.5275,-5.535,0;13.4778,-3.0719,0;18.6807,-4.2066,0;14.6955,-1.3007,0; > C53 H76 N14 O12 > 1101.257 > O=C([C@@H]1CCCN1C([C@H]([C@@H](C)CC)NC([C@H](CCC(N)=O)NC([C@@H]1CCCN1C([C@H](CCCNC(N)=N)NC([C@@H]1CCCN1C([C@H](CC1=CNC2C=CC=CC1=2)NC([C@@H]1CCC(N1)=O)=O)=O)=O)=O)=O)=O)=O)N1CCC[C@H]1C(O)=O > 391608 $$$$