5362065 Marvin 12300716483D 45 47 0 0 1 0 999 V2000 1.1947 -1.9330 -0.1348 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0829 3.3163 1.6823 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4911 -0.1631 -1.9243 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1795 -2.8000 -2.8639 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5966 -3.8227 -1.1541 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 1.4781 -1.3856 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8748 2.7731 0.8626 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2324 3.1495 1.4897 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2484 2.0034 0.0663 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9258 -1.8397 -1.6266 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1421 0.9093 -0.8502 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2724 2.9404 1.0678 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5668 3.8018 2.0631 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9866 4.8871 3.5426 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4102 -1.4488 -1.6880 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0885 0.0023 -1.8868 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3691 -0.6383 -1.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4461 -3.0391 -1.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7135 -3.6653 -0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6694 -3.9810 -0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7435 -3.2338 -1.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 1.6124 -0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0849 -5.2737 -0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3154 2.4727 0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3562 -6.4004 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5198 2.9279 1.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8423 2.5809 0.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7894 4.0931 2.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9127 3.2692 1.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1701 2.7855 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9398 -1.8491 -2.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0899 0.4130 -2.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 0.9960 -0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -4.0904 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4186 -4.1018 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0359 -5.4292 -0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6101 -6.4069 -0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7727 -7.2771 -0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6717 -2.3333 -3.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 1.9273 -0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8461 2.9782 2.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 4.3609 1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2758 5.3792 3.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8379 4.9573 3.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2473 3.7117 2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 4 39 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 12 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 45 1 0 0 0 0 9 30 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 16 11 1 0 0 0 0 11 22 1 0 0 0 0 11 33 1 0 0 0 0 12 24 2 0 0 0 0 13 26 1 0 0 0 0 13 28 2 0 0 0 0 14 28 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 26 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 27 2 0 0 0 0 27 40 1 0 0 0 0 29 30 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 M END > 16 11 5 13 26 8 13 28 8 15 31 6 2 27 8 2 28 8 26 27 8 > InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1 > OKBVVJOGVLARMR-QSWIMTSFSA-N > 1/1/N:25,23,29,19,27,20,26,30,24,16,18,22,17,15,21,28,14,13,11,12,10,8,9,6,3,4,5,7,1,2/E:(22,23)(26,27)/it:im/rA:45cSSOOOOOOONNNNNCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s7;;;s1s10;s11s15;d3s10s16;s10;s1;d18s19;s4d5s18;d6s11;s20;d12s22;d23;s13s24;s2d26;s2d13s14;s7;s8d9s29;s15;s16;s11;s19;s19;s23;s25;s25;s4;s27;s29;s29;s14;s14;s8;/rC:1.1947,-1.933,-.1348;5.0829,3.3163,1.6823;-2.4911,-.1631,-1.9243;-3.1795,-2.8,-2.8639;-3.5966,-3.8227,-1.1541;2.1531,1.4781,-1.3856;-.8748,2.7731,.8626;-4.2324,3.1495,1.4897;-3.2484,2.0034,.0663;-.9258,-1.8397,-1.6266;.1421,.9093,-.8502;.2724,2.9404,1.0678;2.5668,3.8018,2.0631;3.9866,4.8871,3.5426;.4102,-1.4488,-1.688;-.0885,.0023,-1.8868;-1.3691,-.6383,-1.8247;-1.4461,-3.0391,-1.3832;.7135,-3.6653,-.3403;-.6694,-3.981,-.7659;-2.7435,-3.2338,-1.8012;1.2173,1.6124,-.6075;-1.0849,-5.2737,-.5077;1.3154,2.4727,.4666;-.3562,-6.4004,-.5201;2.5198,2.9279,1.0366;3.8423,2.5809,.7262;3.7894,4.0931,2.5231;-1.9127,3.2692,1.5322;-3.1701,2.7855,1.003;.9398,-1.8491,-2.5606;.0899,.413,-2.8853;-.5636,.996,-.2448;.928,-4.0904,.644;1.4186,-4.1018,-1.0517;-2.0359,-5.4292,-.2765;.6101,-6.4069,-.7421;-.7727,-7.2771,-.3082;-2.6717,-2.3333,-3.4108;4.1186,1.9273,-.0043;-1.8461,2.9782,2.5848;-1.899,4.3609,1.4693;3.2758,5.3792,3.8993;4.8379,4.9573,3.9231;-4.2473,3.7117,2.1664; > C16 H15 N5 O7 S2 > 453.4496 > S1C([H])([H])C(C([H])=C([H])[H])=C(C(=O)O[H])N2C([C@]([H])([C@@]12[H])N([H])C(/C(/C1=C([H])SC(N([H])[H])=N1)=N\OC([H])([H])C(=O)O[H])=O)=O > 4514923 $$$$