70683607 -OEChem-04182420132D 69 72 0 1 0 0 0 0 0999 V2000 6.8909 -0.4881 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.0555 -1.8971 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -1.1926 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 1.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2256 -3.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 0.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9655 -4.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 2.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7256 -5.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 0.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 -2.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -1.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -1.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 3.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9505 -6.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 0.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 -1.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -1.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -2.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 6.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3389 -5.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 -0.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.5643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4857 -4.6706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 5.0643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6447 -5.9578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 1.0254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9166 -4.3616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 1.9765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7256 -4.9494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 1.0254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2256 -3.4106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 2.5643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5346 -4.3616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6378 -2.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6936 -5.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2288 -4.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 5.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1799 -4.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3878 -5.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -2.1871 0.0000 B 0 0 0 0 0 1 0 0 0 0 0 0 3.1085 1.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4782 -3.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 2.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2780 -5.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 1.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5071 -2.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 2.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9730 -3.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -0.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -0.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1951 -2.3298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4669 -2.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -0.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8366 -5.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1887 -6.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0999 -3.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 5.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 5.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7736 -6.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6406 -3.8957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 0.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7997 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 1 18 2 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 2 19 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 22 2 0 0 0 0 3 45 1 0 0 0 0 4 31 1 0 0 0 0 4 33 1 0 0 0 0 5 32 1 0 0 0 0 5 34 1 0 0 0 0 27 6 1 1 0 0 0 6 58 1 0 0 0 0 28 7 1 6 0 0 0 7 59 1 0 0 0 0 29 8 1 1 0 0 0 8 60 1 0 0 0 0 30 9 1 6 0 0 0 9 61 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 14 37 2 0 0 0 0 15 39 2 0 0 0 0 16 68 1 0 0 0 0 17 69 1 0 0 0 0 20 43 2 0 0 0 0 21 44 2 0 0 0 0 33 23 1 6 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 34 24 1 1 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 37 1 0 0 0 0 25 43 1 0 0 0 0 25 64 1 0 0 0 0 26 39 1 0 0 0 0 26 44 1 0 0 0 0 26 66 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 27 46 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 28 47 1 0 0 0 0 29 33 1 0 0 0 0 29 48 1 0 0 0 0 30 34 1 0 0 0 0 30 49 1 0 0 0 0 31 35 1 6 0 0 0 31 50 1 0 0 0 0 32 36 1 1 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 36 57 1 0 0 0 0 38 41 2 0 0 0 0 38 62 1 0 0 0 0 40 42 2 0 0 0 0 40 63 1 0 0 0 0 41 43 1 0 0 0 0 41 65 1 0 0 0 0 42 44 1 0 0 0 0 42 67 1 0 0 0 0 M END > 70683607 > 1 > 1330 > 19 > 8 > 12 > AAADceJ7vgMAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAABHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > InChI=1S/C18H24BN4O19P3/c19-43(32,41-44(33,34)37-5-7-11(26)13(28)15(39-7)22-3-1-9(24)20-17(22)30)42-45(35,36)38-6-8-12(27)14(29)16(40-8)23-4-2-10(25)21-18(23)31/h1-4,7-8,11-16,26-29H,5-6H2,(H,33,34)(H,35,36)(H,20,24,30)(H,21,25,31)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1 > NADWBWRWMYOQKN-NCOIDOBVSA-N > 704.0340657 > C18H24BN4O19P3 > 704.1 > [B]P(=O)(OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O > [B]P(=O)(OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O > 327 > 704.0340657 > 0 > 45 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 33 23 6 23 37 8 23 38 8 34 24 5 24 39 8 24 40 8 25 37 8 25 43 8 26 39 8 26 44 8 31 35 6 32 36 5 38 41 8 40 42 8 41 43 8 42 44 8 27 6 5 28 7 6 29 8 5 30 9 6 $$$$