@MOLECULE 3-[(2r)-2-acetamido-2-(dihydroxyboryl)ethyl]-2-hydroxybenzoic acid 33 33 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.0178 -0.3255 0.8697 C.3 1 UNL1111111111 -0.2958 2 C 1.9592 0.0831 -0.2875 C.3 1 UNL1111111111 0.0277 3 N 3.2696 0.4540 0.2456 N.am 1 UNL1111111111 -0.5965 4 C 4.2479 -0.5065 0.3903 C.2 1 UNL1111111111 0.6077 5 C 5.5645 -0.0284 0.9392 C.3 1 UNL1111111111 -0.5328 6 O 4.0299 -1.6666 0.0964 O.2 1 UNL1111111111 -0.5608 7 C -3.9012 0.3847 0.4056 C.2 1 UNL1111111111 0.6790 8 O -5.0320 -0.0931 -0.1631 O.3 1 UNL1111111111 -0.5319 9 O -3.9460 1.3943 1.0842 O.2 1 UNL1111111111 -0.5698 10 B 1.2850 1.2997 -1.1126 B 1 UNL1111111111 0.4793 11 O 1.8785 2.5514 -1.0154 O.3 1 UNL1111111111 -0.5344 12 C -0.4267 -1.9206 -0.4164 C.ar 1 UNL1111111111 -0.0619 13 C -0.3049 -0.7702 0.3472 C.ar 1 UNL1111111111 -0.1243 14 C -1.6677 -2.3197 -0.9352 C.ar 1 UNL1111111111 -0.2553 15 C -1.4735 -0.0246 0.6263 C.ar 1 UNL1111111111 0.3602 16 C -2.8035 -1.5740 -0.6763 C.ar 1 UNL1111111111 -0.0062 17 C -2.7224 -0.4142 0.1112 C.ar 1 UNL1111111111 -0.3338 18 O 0.1688 1.1639 -1.9402 O.3 1 UNL1111111111 -0.5820 19 O -1.3143 1.0558 1.4016 O.3 1 UNL1111111111 -0.4592 20 H 1.4994 -1.1467 1.4492 H 1 UNL1111111111 0.1699 21 H 0.9169 0.5069 1.5994 H 1 UNL1111111111 0.1735 22 H 2.0848 -0.7862 -0.9914 H 1 UNL1111111111 0.1583 23 H 3.4246 1.4243 0.4662 H 1 UNL1111111111 0.3227 24 H 6.3400 -0.7931 0.7719 H 1 UNL1111111111 0.1842 25 H 5.9114 0.8991 0.4693 H 1 UNL1111111111 0.1689 26 H 5.5036 0.1356 2.0236 H 1 UNL1111111111 0.1741 27 H -5.8307 0.4622 0.0412 H 1 UNL1111111111 0.3616 28 H 1.4466 3.2627 -1.5068 H 1 UNL1111111111 0.3449 29 H 0.4589 -2.5313 -0.6180 H 1 UNL1111111111 0.1684 30 H -1.7304 -3.2244 -1.5356 H 1 UNL1111111111 0.1635 31 H -3.7734 -1.8811 -1.0780 H 1 UNL1111111111 0.1690 32 H -0.2854 0.3193 -1.9776 H 1 UNL1111111111 0.3548 33 H -2.1922 1.5424 1.5467 H 1 UNL1111111111 0.3769 @BOND 1 1 2 1 2 1 13 1 3 1 20 1 4 1 21 1 5 2 3 1 6 2 10 1 7 2 22 1 8 3 4 am 9 3 23 1 10 4 5 1 11 4 6 2 12 5 24 1 13 5 25 1 14 5 26 1 15 7 8 1 16 7 9 2 17 7 17 1 18 8 27 1 19 10 11 1 20 10 18 1 21 11 28 1 22 12 13 ar 23 12 14 ar 24 12 29 1 25 13 15 ar 26 14 16 ar 27 14 30 1 28 15 17 ar 29 15 19 1 30 16 17 ar 31 16 31 1 32 18 32 1 33 19 33 1