@MOLECULE (2s,3r,4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-3-{[1-(1,3-thiazol-2-yl)-3-azetidinyl]sulfanyl}-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4578 -3.6903 0.1932 O.3 1 UNL111111111 -0.5379 2 C -1.9792 -2.6610 -0.5398 C.2 1 UNL111111111 0.6316 3 O -1.5295 -2.8151 -1.6418 O.2 1 UNL111111111 -0.4908 4 C -2.0866 -1.3691 0.2663 C.3 1 UNL111111111 0.0023 5 N -3.3069 -0.6977 -0.1741 N.am 1 UNL111111111 -0.5149 6 C -4.3171 -0.1886 0.7152 C.2 1 UNL111111111 0.5730 7 O -4.9542 -0.7171 1.5647 O.2 1 UNL111111111 -0.4058 8 C -4.2244 1.2270 0.0990 C.3 1 UNL111111111 -0.3108 9 C -5.4209 1.6140 -0.7699 C.3 1 UNL111111111 0.1877 10 C -6.6468 1.9097 0.0851 C.3 1 UNL111111111 -0.5091 11 O -5.0643 2.7273 -1.5565 O.3 1 UNL111111111 -0.5512 12 C -2.9983 0.6900 -0.7123 C.3 1 UNL111111111 0.0417 13 C -1.5516 1.0115 -0.2774 C.3 1 UNL111111111 -0.1216 14 C -1.4736 1.8820 0.9689 C.3 1 UNL111111111 -0.4503 15 C -0.9298 -0.4068 -0.1225 C.3 1 UNL111111111 -0.2139 16 S 0.4276 -0.5889 1.0930 S.3 1 UNL111111111 0.0068 17 C 1.7919 0.2267 0.2137 C.3 1 UNL111111111 -0.2283 18 C 2.7613 -0.7096 -0.5668 C.3 1 UNL111111111 -0.0876 19 C 2.9871 0.6065 1.1383 C.3 1 UNL111111111 -0.0918 20 N 3.8833 -0.3179 0.3588 N.pl3 1 UNL111111111 -0.3828 21 C 5.0720 0.1393 -0.1665 C.ar 1 UNL111111111 0.2314 22 N 5.4690 -0.0290 -1.4189 N.ar 1 UNL111111111 -0.4595 23 C 6.7957 0.3631 -1.5954 C.ar 1 UNL111111111 0.0478 24 C 7.4262 0.8603 -0.4906 C.ar 1 UNL111111111 -0.3776 25 S 6.3594 0.8276 0.8885 S.2 1 UNL111111111 0.1485 26 H -2.4547 -4.5575 -0.2862 H 1 UNL111111111 0.3566 27 H -2.1275 -1.6139 1.3626 H 1 UNL111111111 0.1883 28 H -3.9957 2.0049 0.8410 H 1 UNL111111111 0.1749 29 H -5.6321 0.8408 -1.5497 H 1 UNL111111111 0.1589 30 H -6.4751 2.7249 0.7953 H 1 UNL111111111 0.1512 31 H -7.5008 2.1958 -0.5433 H 1 UNL111111111 0.1670 32 H -6.9487 1.0276 0.6686 H 1 UNL111111111 0.1752 33 H -5.0021 3.5425 -1.0232 H 1 UNL111111111 0.3144 34 H -3.1293 0.7443 -1.8096 H 1 UNL111111111 0.1742 35 H -1.0333 1.5481 -1.1094 H 1 UNL111111111 0.1521 36 H -1.8924 1.3871 1.8540 H 1 UNL111111111 0.1579 37 H -0.4407 2.1591 1.2166 H 1 UNL111111111 0.1589 38 H -2.0117 2.8281 0.8257 H 1 UNL111111111 0.1467 39 H -0.5290 -0.7087 -1.1268 H 1 UNL111111111 0.1893 40 H 1.4201 1.0711 -0.3889 H 1 UNL111111111 0.1623 41 H 2.5754 -1.7957 -0.4921 H 1 UNL111111111 0.1775 42 H 2.9128 -0.4511 -1.6276 H 1 UNL111111111 0.1662 43 H 3.2565 1.6717 1.1179 H 1 UNL111111111 0.1445 44 H 2.9279 0.2740 2.1904 H 1 UNL111111111 0.1726 45 H 7.2091 0.2492 -2.5936 H 1 UNL111111111 0.1830 46 H 8.4316 1.2297 -0.4230 H 1 UNL111111111 0.1916 @BOND 1 1 26 1 2 2 1 1 3 2 4 1 4 3 2 2 5 4 27 1 6 5 4 1 7 6 7 2 8 6 5 am 9 8 6 1 10 8 12 1 11 8 28 1 12 9 8 1 13 9 29 1 14 10 9 1 15 10 30 1 16 10 31 1 17 10 32 1 18 11 9 1 19 11 33 1 20 12 5 1 21 12 13 1 22 12 34 1 23 13 15 1 24 13 14 1 25 13 35 1 26 14 36 1 27 14 37 1 28 14 38 1 29 15 4 1 30 15 16 1 31 15 39 1 32 16 17 1 33 17 19 1 34 17 40 1 35 18 20 1 36 18 17 1 37 18 41 1 38 18 42 1 39 19 43 1 40 19 44 1 41 20 19 1 42 21 20 1 43 21 25 ar 44 22 23 ar 45 22 21 ar 46 23 24 ar 47 23 45 1 48 24 25 ar 49 24 46 1