@MOLECULE ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid 17 16 0 0 0 SMALL GASTEIGER @ATOM 1 B 3.0728 -0.3437 -0.0594 B 1 UNL111111111 0.5011 2 O 3.0079 -1.3935 0.8671 O.3 1 UNL111111111 -0.5793 3 O 4.2334 -0.1717 -0.7991 O.3 1 UNL111111111 -0.5428 4 C 1.8674 0.6911 -0.3428 C.3 1 UNL111111111 -0.1703 5 N 0.7950 0.5024 0.6501 N.3 1 UNL111111111 -0.8453 6 S -0.8511 0.7385 0.1171 S.O2 1 UNL111111111 2.3068 7 O -1.4891 1.4882 1.1658 O.2 1 UNL111111111 -0.8869 8 O -0.8381 1.1653 -1.2547 O.2 1 UNL111111111 -0.8774 9 C -1.4368 -0.9693 0.1826 C.3 1 UNL111111111 -0.5198 10 CL -3.1207 -1.1000 -0.3158 Cl 1 UNL111111111 -0.0694 11 H 2.1742 -1.4584 1.3498 H 1 UNL111111111 0.3538 12 H 4.9457 -0.8006 -0.6380 H 1 UNL111111111 0.3436 13 H 2.2718 1.7261 -0.3506 H 1 UNL111111111 0.1419 14 H 1.5151 0.4989 -1.3841 H 1 UNL111111111 0.1726 15 H 1.0082 0.9801 1.5297 H 1 UNL111111111 0.2978 16 H -0.8480 -1.6218 -0.4853 H 1 UNL111111111 0.1880 17 H -1.3678 -1.3783 1.2049 H 1 UNL111111111 0.1858 @BOND 1 1 2 1 2 1 3 1 3 2 11 1 4 3 12 1 5 4 1 1 6 4 13 1 7 4 14 1 8 5 4 1 9 5 15 1 10 6 7 2 11 6 5 1 12 8 6 2 13 9 6 1 14 9 16 1 15 9 17 1 16 10 9 1