@MOLECULE 6-[[(hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.7521 0.9011 -1.0350 S.3 1 UNL1111111111 -0.0834 2 O 1.6936 -2.4682 1.7115 O.2 1 UNL1111111111 -0.3842 3 O 5.0813 1.0262 0.5702 O.3 1 UNL1111111111 -0.5739 4 OXT 4.3456 0.4909 -1.4685 O.2 1 UNL1111111111 -0.4581 5 O -1.6814 -3.6640 -0.6299 O.2 1 UNL1111111111 -0.5151 6 O -3.8554 3.4608 -0.1969 O.3 1 UNL1111111111 -0.4680 7 N 2.3609 -1.0283 -0.0703 N.am 1 UNL1111111111 -0.5162 8 N -0.8408 -1.6328 -0.0899 N.am 1 UNL1111111111 -0.5955 9 C 1.3569 -0.8312 -1.1581 C.3 1 UNL1111111111 -0.0218 10 C 1.8323 1.3278 0.4440 C.3 1 UNL1111111111 0.0552 11 CA 2.8979 0.1877 0.5128 C.3 1 UNL1111111111 -0.0255 12 CA 0.4763 -1.9793 -0.5188 C.3 1 UNL1111111111 -0.0055 13 C 1.5351 -1.9639 0.6538 C.2 1 UNL1111111111 0.5292 14 C 2.4535 2.6928 0.2257 C.3 1 UNL1111111111 -0.4760 15 C 0.9812 1.3154 1.7057 C.3 1 UNL1111111111 -0.4732 16 C 4.1393 0.5561 -0.2914 C.2 1 UNL1111111111 0.6275 17 C -1.8773 -2.5527 -0.1900 C.2 1 UNL1111111111 0.6032 18 C -3.2294 -2.0900 0.3157 C.3 1 UNL1111111111 -0.3605 19 C -3.4202 -0.6120 0.2180 C.ar 1 UNL1111111111 -0.0836 20 C -3.3547 0.1873 1.3590 C.ar 1 UNL1111111111 -0.0953 21 C -3.6344 -0.0278 -1.0387 C.ar 1 UNL1111111111 -0.0877 22 C -3.4907 1.5706 1.2604 C.ar 1 UNL1111111111 -0.3073 23 C -3.7736 1.3442 -1.1626 C.ar 1 UNL1111111111 -0.2303 24 C -3.7004 2.1264 -0.0022 C.ar 1 UNL1111111111 0.2935 25 H 1.7554 -1.0472 -2.1660 H 1 UNL1111111111 0.1926 26 HA 3.1999 -0.0074 1.5832 H 1 UNL1111111111 0.2033 27 HA 0.4953 -2.9315 -1.1019 H 1 UNL1111111111 0.2063 28 H 2.9520 2.7948 -0.7511 H 1 UNL1111111111 0.1744 29 H 1.7111 3.5019 0.2804 H 1 UNL1111111111 0.1664 30 H 3.2138 2.9114 0.9925 H 1 UNL1111111111 0.1705 31 H 0.1257 2.0020 1.6385 H 1 UNL1111111111 0.1651 32 H 0.5803 0.3219 1.9462 H 1 UNL1111111111 0.1570 33 H 1.5655 1.6383 2.5811 H 1 UNL1111111111 0.1651 34 H -1.0109 -0.6886 0.2396 H 1 UNL1111111111 0.3336 35 H 5.9399 1.2573 0.1386 H 1 UNL1111111111 0.3593 36 H -4.0216 -2.6287 -0.2548 H 1 UNL1111111111 0.1909 37 H -3.3490 -2.4583 1.3608 H 1 UNL1111111111 0.1836 38 H -3.1966 -0.2660 2.3379 H 1 UNL1111111111 0.1552 39 H -3.6826 -0.6602 -1.9271 H 1 UNL1111111111 0.1616 40 H -3.4404 2.1943 2.1455 H 1 UNL1111111111 0.1606 41 H -3.9333 1.8220 -2.1273 H 1 UNL1111111111 0.1799 42 H -3.7902 3.9735 0.6442 H 1 UNL1111111111 0.3272 @BOND 1 1 9 1 2 1 10 1 3 2 13 2 4 3 16 1 5 3 35 1 6 4 16 2 7 5 17 2 8 6 24 1 9 6 42 1 10 7 9 1 11 7 11 1 12 7 13 am 13 8 12 1 14 8 17 am 15 8 34 1 16 9 12 1 17 9 25 1 18 10 11 1 19 10 14 1 20 10 15 1 21 11 16 1 22 11 26 1 23 12 13 1 24 12 27 1 25 14 28 1 26 14 29 1 27 14 30 1 28 15 31 1 29 15 32 1 30 15 33 1 31 17 18 1 32 18 19 1 33 18 36 1 34 18 37 1 35 19 20 ar 36 19 21 ar 37 20 22 ar 38 20 38 1 39 21 23 ar 40 21 39 1 41 22 24 ar 42 22 40 1 43 23 24 ar 44 23 41 1