@MOLECULE 3-{(r)-(dihydroxyboryl)[(2-thienylacetyl)amino]methyl}benzoic acid 36 37 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.1077 0.5494 -0.2149 C.ar 1 UNL111111111 -0.1626 2 C -6.2196 -0.0566 0.4645 C.ar 1 UNL111111111 -0.1582 3 C -6.0834 -1.4020 0.6317 C.ar 1 UNL111111111 -0.2704 4 S -4.5783 -1.9561 -0.0415 S.2 1 UNL111111111 0.1954 5 C -4.1347 -0.3431 -0.5619 C.ar 1 UNL111111111 -0.1217 6 C -2.8603 -0.0513 -1.2461 C.3 1 UNL111111111 -0.3477 7 C -1.8293 0.4388 -0.2390 C.2 1 UNL111111111 0.6080 8 O -2.1304 0.9392 0.8289 O.2 1 UNL111111111 -0.5518 9 N -0.5175 0.2995 -0.6308 N.am 1 UNL111111111 -0.5933 10 C 0.5946 0.6507 0.2643 C.3 1 UNL111111111 -0.0426 11 B 0.6962 2.2563 0.6206 B 1 UNL111111111 0.4699 12 O 1.8619 3.0011 0.4452 O.3 1 UNL111111111 -0.5308 13 O -0.3682 2.9274 1.1939 O.3 1 UNL111111111 -0.4964 14 C 1.9061 0.2523 -0.3346 C.ar 1 UNL111111111 -0.0552 15 C 2.8425 -0.4225 0.4514 C.ar 1 UNL111111111 -0.1021 16 C 2.2338 0.5930 -1.6522 C.ar 1 UNL111111111 -0.1398 17 C 3.4779 0.2588 -2.1814 C.ar 1 UNL111111111 -0.1675 18 C 4.4176 -0.4047 -1.3955 C.ar 1 UNL111111111 -0.0814 19 C 4.0947 -0.7360 -0.0794 C.ar 1 UNL111111111 -0.1309 20 C 5.0589 -1.4269 0.7929 C.2 1 UNL111111111 0.6359 21 O 4.8519 -1.9558 1.8547 O.2 1 UNL111111111 -0.4897 22 O 6.3105 -1.4086 0.2623 O.3 1 UNL111111111 -0.5580 23 H -5.0657 1.6125 -0.4019 H 1 UNL111111111 0.1686 24 H -7.0628 0.5281 0.8022 H 1 UNL111111111 0.1644 25 H -6.7722 -2.0755 1.1083 H 1 UNL111111111 0.1763 26 H -3.0100 0.7500 -2.0116 H 1 UNL111111111 0.1868 27 H -2.4839 -0.9259 -1.8194 H 1 UNL111111111 0.1708 28 H -0.2722 -0.1254 -1.5107 H 1 UNL111111111 0.3095 29 H 0.4187 0.1438 1.2560 H 1 UNL111111111 0.1680 30 H 2.6303 2.5592 0.0773 H 1 UNL111111111 0.3382 31 H -1.1733 2.3649 1.2775 H 1 UNL111111111 0.3720 32 H 2.6065 -0.7075 1.4821 H 1 UNL111111111 0.1829 33 H 1.5192 1.1380 -2.2711 H 1 UNL111111111 0.1594 34 H 3.7210 0.5236 -3.2097 H 1 UNL111111111 0.1590 35 H 5.3987 -0.6600 -1.8030 H 1 UNL111111111 0.1755 36 H 6.9857 -1.8534 0.8337 H 1 UNL111111111 0.3597 @BOND 1 1 2 ar 2 1 5 ar 3 1 23 1 4 2 3 ar 5 2 24 1 6 3 4 ar 7 3 25 1 8 4 5 ar 9 5 6 1 10 6 7 1 11 6 26 1 12 6 27 1 13 7 8 2 14 7 9 am 15 9 10 1 16 9 28 1 17 10 11 1 18 10 14 1 19 10 29 1 20 11 12 1 21 11 13 1 22 12 30 1 23 13 31 1 24 14 15 ar 25 14 16 ar 26 15 19 ar 27 15 32 1 28 16 17 ar 29 16 33 1 30 17 18 ar 31 17 34 1 32 18 19 ar 33 18 35 1 34 19 20 1 35 20 21 2 36 20 22 1 37 22 36 1