@MOLECULE (5r,6s)-3-[(2-aminoethyl)sulfanyl]-6-(hydroxymethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.0400 0.5575 -1.5695 S.3 1 UNL1111111111 0.0553 2 O 2.8071 -2.0784 -0.0897 O.2 1 UNL1111111111 -0.3563 3 O 4.3465 2.2005 0.2776 O.3 1 UNL1111111111 -0.5451 4 O -1.6960 -1.9569 1.0962 O.3 1 UNL1111111111 -0.5281 5 O -0.6157 -2.9987 -0.5643 O.2 1 UNL1111111111 -0.4425 6 N 1.1316 -0.5065 0.6175 N.am 1 UNL1111111111 -0.4751 7 N -4.4391 1.3813 1.7085 N.3 1 UNL1111111111 -0.6374 8 C 1.5322 0.9596 0.3786 C.3 1 UNL1111111111 0.0501 9 C 2.8926 0.4590 -0.2009 C.3 1 UNL1111111111 -0.2608 10 C 0.4677 1.5290 -0.5778 C.3 1 UNL1111111111 -0.2974 11 C 2.3883 -0.9812 0.0419 C.2 1 UNL1111111111 0.5598 12 C -0.1146 -0.6979 -0.0338 C.2 1 UNL1111111111 0.0877 13 C -0.5453 0.4125 -0.6740 C.2 1 UNL1111111111 -0.1483 14 C 4.1245 0.8360 0.5996 C.3 1 UNL1111111111 0.0045 15 C -0.7859 -2.0106 0.0932 C.2 1 UNL1111111111 0.6364 16 C -3.0961 1.5031 -0.4078 C.3 1 UNL1111111111 -0.3794 17 C -3.5857 0.6389 0.7663 C.3 1 UNL1111111111 -0.0976 18 H 1.6133 1.5188 1.3247 H 1 UNL1111111111 0.1686 19 H 3.0346 0.6949 -1.2733 H 1 UNL1111111111 0.1918 20 H 0.8837 1.7965 -1.5684 H 1 UNL1111111111 0.1759 21 H 0.0306 2.4625 -0.1785 H 1 UNL1111111111 0.1662 22 H 5.0034 0.2335 0.3000 H 1 UNL1111111111 0.1311 23 H 3.9670 0.7484 1.6914 H 1 UNL1111111111 0.1299 24 H 5.1828 2.5130 0.6751 H 1 UNL1111111111 0.3177 25 H -2.5594 2.3940 -0.0409 H 1 UNL1111111111 0.1543 26 H -3.9506 1.8728 -1.0051 H 1 UNL1111111111 0.1657 27 H -4.1680 -0.2388 0.4003 H 1 UNL1111111111 0.1566 28 H -2.7279 0.2141 1.3428 H 1 UNL1111111111 0.1666 29 H -2.1748 -2.8150 1.2379 H 1 UNL1111111111 0.3567 30 H -5.2608 1.7577 1.2684 H 1 UNL1111111111 0.2463 31 H -3.9438 2.1221 2.1732 H 1 UNL1111111111 0.2469 @BOND 1 1 13 1 2 1 16 1 3 2 11 2 4 3 14 1 5 3 24 1 6 4 15 1 7 4 29 1 8 5 15 2 9 6 8 1 10 6 11 am 11 6 12 1 12 7 17 1 13 7 30 1 14 7 31 1 15 8 9 1 16 8 10 1 17 8 18 1 18 9 11 1 19 9 14 1 20 9 19 1 21 10 13 1 22 10 20 1 23 10 21 1 24 12 13 2 25 12 15 1 26 14 22 1 27 14 23 1 28 16 17 1 29 16 25 1 30 16 26 1 31 17 27 1 32 17 28 1