@MOLECULE 6-[hydroxy(phenyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.9046 -1.5632 0.3732 S.O2 1 UNL1111111111 2.0894 2 O 2.7409 -1.8470 1.5082 O.2 1 UNL1111111111 -0.8385 3 O 1.3242 -2.6291 -0.4108 O.2 1 UNL1111111111 -0.8790 4 O -1.0830 0.9073 -1.6744 O.2 1 UNL1111111111 -0.3851 5 O -1.6964 0.5358 2.1539 O.3 1 UNL1111111111 -0.5392 6 O 3.3459 2.8340 -0.6620 O.3 1 UNL1111111111 -0.5712 7 O 2.6548 2.1587 1.3513 O.2 1 UNL1111111111 -0.4631 8 N 0.6465 0.7349 -0.0461 N.am 1 UNL1111111111 -0.5339 9 C 0.5494 -0.4563 0.8598 C.3 1 UNL1111111111 -0.2556 10 C 2.7475 -0.3670 -0.7648 C.3 1 UNL1111111111 -0.2257 11 C -0.8657 -0.7467 0.2764 C.3 1 UNL1111111111 -0.2564 12 C 1.9345 0.9605 -0.6845 C.3 1 UNL1111111111 -0.0168 13 C -0.5844 0.4028 -0.7273 C.2 1 UNL1111111111 0.5621 14 C -2.0175 -0.4937 1.2509 C.3 1 UNL1111111111 0.1526 15 C 2.6940 -0.9013 -2.1911 C.3 1 UNL1111111111 -0.4507 16 C 4.1935 -0.1761 -0.3388 C.3 1 UNL1111111111 -0.4629 17 C 2.6500 2.0092 0.1634 C.2 1 UNL1111111111 0.6243 18 C -3.2891 -0.1928 0.5016 C.ar 1 UNL1111111111 -0.0798 19 C -3.9528 1.0169 0.6940 C.ar 1 UNL1111111111 -0.1375 20 C -3.8081 -1.1437 -0.3794 C.ar 1 UNL1111111111 -0.1640 21 C -5.1208 1.2887 -0.0169 C.ar 1 UNL1111111111 -0.1383 22 C -4.9752 -0.8696 -1.0869 C.ar 1 UNL1111111111 -0.1362 23 C -5.6298 0.3491 -0.9104 C.ar 1 UNL1111111111 -0.1431 24 H 0.5760 -0.1819 1.9368 H 1 UNL1111111111 0.2153 25 H -0.9799 -1.7280 -0.2314 H 1 UNL1111111111 0.2049 26 H 1.7724 1.3895 -1.7172 H 1 UNL1111111111 0.2025 27 H -2.1589 -1.3653 1.9427 H 1 UNL1111111111 0.1673 28 H 3.1800 -1.8844 -2.2907 H 1 UNL1111111111 0.1692 29 H 3.2115 -0.2288 -2.8898 H 1 UNL1111111111 0.1580 30 H 1.6690 -1.0325 -2.5676 H 1 UNL1111111111 0.1635 31 H 4.7953 -1.0861 -0.4840 H 1 UNL1111111111 0.1671 32 H 4.3073 0.0887 0.7261 H 1 UNL1111111111 0.1779 33 H 4.6848 0.6147 -0.9258 H 1 UNL1111111111 0.1650 34 H -1.2733 1.2978 1.6989 H 1 UNL1111111111 0.3301 35 H 3.8134 3.5683 -0.1929 H 1 UNL1111111111 0.3599 36 H -3.5673 1.7491 1.4043 H 1 UNL1111111111 0.1642 37 H -3.3048 -2.0981 -0.5199 H 1 UNL1111111111 0.1507 38 H -5.6339 2.2379 0.1280 H 1 UNL1111111111 0.1526 39 H -5.3758 -1.6069 -1.7802 H 1 UNL1111111111 0.1508 40 H -6.5380 0.5646 -1.4696 H 1 UNL1111111111 0.1499 @BOND 1 1 2 2 2 1 3 2 3 1 9 1 4 1 10 1 5 4 13 2 6 5 14 1 7 5 34 1 8 6 17 1 9 6 35 1 10 7 17 2 11 8 9 1 12 8 12 1 13 8 13 am 14 9 11 1 15 9 24 1 16 10 12 1 17 10 15 1 18 10 16 1 19 11 13 1 20 11 14 1 21 11 25 1 22 12 17 1 23 12 26 1 24 14 18 1 25 14 27 1 26 15 28 1 27 15 29 1 28 15 30 1 29 16 31 1 30 16 32 1 31 16 33 1 32 18 19 ar 33 18 20 ar 34 19 21 ar 35 19 36 1 36 20 22 ar 37 20 37 1 38 21 23 ar 39 21 38 1 40 22 23 ar 41 22 39 1 42 23 40 1