70694093 -OEChem-04262408102D 79 82 0 1 0 0 0 0 0999 V2000 6.8909 0.2164 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.2201 -2.6016 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -0.4881 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.6378 -1.8971 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.0555 -1.1926 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 2.6810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3902 -4.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 0.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1302 -5.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 2.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8902 -6.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 1.0254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8079 -3.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 4.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1151 -7.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -0.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6324 -1.7925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0292 -2.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -0.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4111 -3.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 7.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5035 -6.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 -2.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -1.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7424 -2.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 0.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5333 -0.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -1.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.2688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6503 -5.3751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 5.7688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8093 -6.6623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 1.7299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0812 -5.0661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 2.6810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8902 -5.6539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 1.7299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3902 -4.1151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 3.2688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6993 -5.0661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8025 -3.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8582 -6.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3935 -4.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 5.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3445 -5.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 6.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5524 -5.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 -0.6048 0.0000 B 0 0 0 0 0 1 0 0 0 0 0 0 3.1085 1.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9842 -5.6785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 3.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4427 -5.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 1.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6717 -3.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 3.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7962 -5.6785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 0.6491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 0.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3597 -3.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6316 -2.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 0.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0013 -5.9816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3533 -6.9639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 4.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2646 -4.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 6.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 6.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9382 -7.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8053 -4.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 1.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9644 -1.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -1.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2408 -3.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 1 20 2 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 2 21 2 0 0 0 0 3 16 1 0 0 0 0 3 24 1 0 0 0 0 3 26 1 0 0 0 0 3 28 2 0 0 0 0 4 17 1 0 0 0 0 4 25 1 0 0 0 0 4 27 1 0 0 0 0 4 29 2 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 30 2 0 0 0 0 5 53 1 0 0 0 0 6 39 1 0 0 0 0 6 41 1 0 0 0 0 7 40 1 0 0 0 0 7 42 1 0 0 0 0 35 8 1 1 0 0 0 8 66 1 0 0 0 0 36 9 1 6 0 0 0 9 67 1 0 0 0 0 37 10 1 1 0 0 0 10 68 1 0 0 0 0 38 11 1 6 0 0 0 11 69 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 2 0 0 0 0 15 47 2 0 0 0 0 18 76 1 0 0 0 0 19 77 1 0 0 0 0 22 51 2 0 0 0 0 23 52 2 0 0 0 0 26 78 1 0 0 0 0 27 79 1 0 0 0 0 41 31 1 6 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 42 32 1 1 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 33 45 1 0 0 0 0 33 51 1 0 0 0 0 33 72 1 0 0 0 0 34 47 1 0 0 0 0 34 52 1 0 0 0 0 34 74 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 0 0 0 0 35 54 1 0 0 0 0 36 38 1 0 0 0 0 36 40 1 0 0 0 0 36 55 1 0 0 0 0 37 41 1 0 0 0 0 37 56 1 0 0 0 0 38 42 1 0 0 0 0 38 57 1 0 0 0 0 39 43 1 6 0 0 0 39 58 1 0 0 0 0 40 44 1 1 0 0 0 40 59 1 0 0 0 0 41 60 1 0 0 0 0 42 61 1 0 0 0 0 43 62 1 0 0 0 0 43 63 1 0 0 0 0 44 64 1 0 0 0 0 44 65 1 0 0 0 0 46 49 2 0 0 0 0 46 70 1 0 0 0 0 48 50 2 0 0 0 0 48 71 1 0 0 0 0 49 51 1 0 0 0 0 49 73 1 0 0 0 0 50 52 1 0 0 0 0 50 75 1 0 0 0 0 M END > 70694093 > 1 > 1680 > 25 > 10 > 16 > AAADceJ7vgOAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAABHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > InChI=1S/C18H26BN4O25P5/c19-49(32,45-52(37,38)47-50(33,34)41-5-7-11(26)13(28)15(43-7)22-3-1-9(24)20-17(22)30)46-53(39,40)48-51(35,36)42-6-8-12(27)14(29)16(44-8)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,37,38)(H,39,40)(H,20,24,30)(H,21,25,31)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1 > QBOYPIZFLGZBDE-NCOIDOBVSA-N > 863.9667275 > C18H26BN4O25P5 > 864.1 > [B]P(=O)(OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O > [B]P(=O)(OP(=O)(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)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O > 420 > 863.9667275 > 0 > 53 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 37 10 5 38 11 6 41 31 6 31 45 8 31 46 8 42 32 5 32 47 8 32 48 8 33 45 8 33 51 8 34 47 8 34 52 8 39 43 6 40 44 5 46 49 8 48 50 8 49 51 8 50 52 8 35 8 5 36 9 6 $$$$