55 57 0 0001 0 0 0 0 0999 V2000 4.3168 -9.0890 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 15.9602 -5.6831 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 18.5542 -3.4851 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 18.5146 -9.0890 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 13.3662 -2.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 14.7127 -5.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 11.9998 -5.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 17.3067 -3.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 18.5542 -6.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 15.9602 -6.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 15.9602 -4.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 17.2077 -5.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 17.2671 -9.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 19.8017 -3.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 18.5542 -2.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 19.7621 -9.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 18.5146 -10.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 14.0394 -7.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 12.9503 -10.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.6335 -10.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.2475 -7.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.0693 -7.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -9.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.8513 -3.1089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 9.7622 -1.2475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 7.6039 -3.7227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 6.5346 -1.8614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 7.6039 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 11.8810 -8.4751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 7.5643 -8.4751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 12.3563 -3.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.7325 -4.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.6930 -3.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.9800 -4.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.3760 -3.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.6930 -1.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.8513 -1.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.6039 -1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.5443 -3.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.5346 -3.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.1087 -9.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.1978 -8.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.0394 -8.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.9503 -9.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.1087 -7.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.1087 -10.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.7919 -9.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7226 -8.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.6335 -9.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.1584 -9.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.2475 -8.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.4752 -9.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.0693 -8.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4059 -8.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.1584 -10.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 51 1 0 1 54 1 0 2 6 1 0 2 10 2 0 2 11 1 0 2 12 1 0 3 8 1 0 3 9 1 0 3 14 2 0 3 15 1 0 4 9 1 0 4 13 1 0 4 16 2 0 4 17 1 0 5 31 1 0 5 35 1 0 34 6 1 1 32 7 1 1 8 39 1 0 13 42 1 0 43 18 1 6 19 44 2 0 20 49 2 0 21 51 2 0 22 53 2 0 23 53 1 0 31 24 1 6 24 33 1 0 24 37 1 0 25 36 1 0 25 37 2 0 26 33 1 0 26 40 2 0 27 38 2 0 27 40 1 0 28 38 1 0 29 44 1 0 29 47 1 0 30 49 1 0 30 52 1 0 31 32 1 0 32 34 1 0 33 36 2 0 34 35 1 0 35 39 1 6 36 38 1 0 41 42 1 0 41 43 1 0 41 45 1 0 41 46 1 0 43 44 1 0 47 48 1 0 48 49 1 0 50 51 1 0 50 53 1 0 50 55 1 0 52 54 1 0 M END > InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18+,22-/m1/s1 > MZFOKIKEPGUZEN-FBMOWMAESA-N > 1/1/N:55,45,46,48,47,52,54,39,42,40,37,50,35,49,36,32,34,43,38,33,44,31,53,51,41,28,30,29,27,26,25,24,20,7,18,19,22,23,21,10,11,12,14,15,16,17,8,13,5,6,9,2,3,4,1/E:(2,3)(37,38)(40,41,42)(43,44)(45,46)/it:im/rA:55cSPPPOOOOOOOOOOOOOOOOOOONNNNNNNCCCCCCCCCCCCCCCCCCCCCCCCC/rB:;;;;s2;;s3;s3s4;d2;s2;s2;s4;d3;s3;d4;s4;;;;;;;;;;;;;;s5n24;p7s31;s24s26;p6s32;s5s34;s25d33;s24d25;d27s28s36;s8N35;d26s27;;s13s41;n18s41;d19s29s43;s41;s41;s29;s47;d20s30s48;;s1d21s50;s30;d22s23s50;s1s52;s50;/rC:4.3168,-9.089,0;15.9602,-5.6831,0;18.5542,-3.4851,0;18.5146,-9.089,0;13.3662,-2.7524,0;14.7127,-5.6831,0;11.9998,-5.6831,0;17.3067,-3.4851,0;18.5542,-6.3563,0;15.9602,-6.9108,0;15.9602,-4.4356,0;17.2077,-5.6831,0;17.2671,-9.089,0;19.8017,-3.4851,0;18.5542,-2.2376,0;19.7621,-9.089,0;18.5146,-10.3365,0;14.0394,-7.2276,0;12.9503,-10.3365,0;8.6335,-10.3365,0;3.2475,-7.2276,0;1.0693,-7.2276,0;0,-9.0692,0;10.8513,-3.1089,0;9.7622,-1.2475,0;7.6039,-3.7227,0;6.5346,-1.8614,0;7.6039,0,0;11.881,-8.4751,0;7.5643,-8.4751,0;12.3563,-3.4851,0;12.7325,-4.6732,0;8.693,-3.1089,0;13.98,-4.6732,0;14.376,-3.4851,0;8.693,-1.8614,0;10.8513,-1.8614,0;7.6039,-1.2475,0;15.5443,-3.1089,0;6.5346,-3.1089,0;15.1087,-9.089,0;16.1978,-8.4751,0;14.0394,-8.4751,0;12.9503,-9.089,0;15.1087,-7.8415,0;15.1087,-10.3365,0;10.7919,-9.089,0;9.7226,-8.4751,0;8.6335,-9.089,0;2.1584,-9.089,0;3.2475,-8.4751,0;6.4752,-9.089,0;1.0693,-8.4553,0;5.4059,-8.4751,0;2.1584,-10.3365,0; > C25 H40 N7 O19 P3 S > 867.6069 > S(CCNC(CCNC([C@@H](C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OP(O)(O)=O)O)=O)=O)C(C(C)C(O)=O)=O > 110440 $$$$