@MOLECULE {[(phenylacetyl)amino]methyl}boronic acid 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6346 2.3988 -0.1185 O.2 1 UNL1111111111 -0.3947 2 C 0.3510 1.2746 -0.4847 C.2 1 UNL1111111111 0.4832 3 N 1.1146 0.1884 -0.1382 N.am 1 UNL1111111111 -0.6389 4 C 2.3236 0.3681 0.6633 C.3 1 UNL1111111111 -0.1858 5 B 3.4928 -0.6484 0.2397 B 1 UNL1111111111 0.4628 6 C -0.8665 0.9850 -1.3496 C.3 1 UNL1111111111 -0.7951 7 C -1.9145 0.2650 -0.5635 C.ar 1 UNL1111111111 0.2595 8 C -2.3663 0.8063 0.6437 C.ar 1 UNL1111111111 -0.2471 9 C -3.3432 0.1448 1.3812 C.ar 1 UNL1111111111 -0.1801 10 C -3.8776 -1.0565 0.9156 C.ar 1 UNL1111111111 -0.2073 11 C -3.4315 -1.5938 -0.2897 C.ar 1 UNL1111111111 -0.1710 12 C -2.4512 -0.9355 -1.0306 C.ar 1 UNL1111111111 -0.3109 13 O 3.1584 -1.7347 -0.5585 O.3 1 UNL1111111111 -0.5836 14 O 4.7587 -0.3835 0.7343 O.3 1 UNL1111111111 -0.5676 15 H 0.8898 -0.7470 -0.4361 H 1 UNL1111111111 0.4498 16 H -1.2720 1.9580 -1.7174 H 1 UNL1111111111 0.2799 17 H -0.5698 0.4336 -2.2636 H 1 UNL1111111111 0.2991 18 H 2.7033 1.4165 0.5714 H 1 UNL1111111111 0.2000 19 H 2.0968 0.2148 1.7443 H 1 UNL1111111111 0.1548 20 H -1.9461 1.7463 1.0056 H 1 UNL1111111111 0.2036 21 H -2.1105 -1.3600 -1.9718 H 1 UNL1111111111 0.2063 22 H -3.6917 0.5668 2.3223 H 1 UNL1111111111 0.1935 23 H -4.6417 -1.5720 1.4926 H 1 UNL1111111111 0.1871 24 H -3.8493 -2.5295 -0.6553 H 1 UNL1111111111 0.1888 25 H 3.8137 -2.3695 -0.8233 H 1 UNL1111111111 0.3576 26 H 5.4931 -0.9525 0.5329 H 1 UNL1111111111 0.3559 @BOND 1 1 2 2 2 2 3 am 3 2 6 1 4 3 4 1 5 3 15 1 6 4 5 1 7 4 18 1 8 4 19 1 9 5 13 1 10 5 14 1 11 6 7 1 12 6 16 1 13 6 17 1 14 7 8 ar 15 7 12 ar 16 8 9 ar 17 8 20 1 18 9 10 ar 19 9 22 1 20 10 11 ar 21 10 23 1 22 11 12 ar 23 11 24 1 24 12 21 1 25 13 25 1 26 14 26 1