@MOLECULE (6r,7r)-7-{[(2s)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-8-oxo-3-[(2h-1,2,3-triazol-4-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.1982 1.8039 1.4669 S.3 1 UNL111111111 0.0105 2 S 5.4494 0.4171 1.0950 S.3 1 UNL111111111 0.1190 3 O 0.2572 -1.7613 -1.2924 O.2 1 UNL111111111 -0.3556 4 O 3.7352 0.1219 -2.9588 O.3 1 UNL111111111 -0.5359 5 O -2.3424 2.2640 0.6500 O.2 1 UNL111111111 -0.5349 6 OXT 2.8980 -1.7018 -1.9794 O.2 1 UNL111111111 -0.4601 7 O -7.5122 -2.6590 0.8274 O.3 1 UNL111111111 -0.4680 8 N 1.1005 0.4550 -0.9452 N.am 1 UNL111111111 -0.4895 9 N -2.0305 0.3269 -0.4675 N.am 1 UNL111111111 -0.5936 10 N -4.7789 2.8687 -0.4494 N.3 1 UNL111111111 -0.6101 11 N 4.5678 -2.0061 0.2068 N.ar 1 UNL111111111 -0.2068 12 N 3.6143 -2.8926 0.5123 N.ar 1 UNL111111111 -0.0224 13 N 2.8797 -2.5428 1.5893 N.ar 1 UNL111111111 -0.2405 14 C 0.2841 1.3221 -0.0414 C.3 1 UNL111111111 -0.0048 15 CA -0.7267 0.1275 0.1261 C.3 1 UNL111111111 -0.0036 16 C 0.2441 -0.6838 -0.8077 C.2 1 UNL111111111 0.5458 17 CA 2.4958 0.4898 -1.0149 C.2 1 UNL111111111 0.0446 18 C 3.2805 1.3352 -0.3054 C.2 1 UNL111111111 -0.0207 19 C 2.7214 2.3660 0.6130 C.3 1 UNL111111111 -0.3285 20 C 4.7619 1.2930 -0.3822 C.3 1 UNL111111111 -0.3408 21 C -2.7810 1.4276 -0.1108 C.2 1 UNL111111111 0.5257 22 C 3.0317 -0.5095 -1.9864 C.2 1 UNL111111111 0.6353 23 CA -4.1694 1.5670 -0.7686 C.3 1 UNL111111111 -0.0125 24 C -5.0535 0.4376 -0.3119 C.ar 1 UNL111111111 -0.1259 25 C -5.8562 -0.2281 -1.2442 C.ar 1 UNL111111111 -0.0672 26 C -5.0905 0.0721 1.0352 C.ar 1 UNL111111111 -0.0767 27 C 4.4613 -1.0104 1.1309 C.ar 1 UNL111111111 -0.1398 28 C -6.6777 -1.2729 -0.8448 C.ar 1 UNL111111111 -0.2471 29 C -5.9062 -0.9712 1.4607 C.ar 1 UNL111111111 -0.3083 30 C -6.6879 -1.6301 0.5090 C.ar 1 UNL111111111 0.3041 31 C 3.3875 -1.3621 2.0187 C.ar 1 UNL111111111 -0.0692 32 H -0.1217 2.2072 -0.5734 H 1 UNL111111111 0.1916 33 HA -0.7939 -0.2902 1.1549 H 1 UNL111111111 0.1860 34 H -2.3972 -0.4174 -1.0449 H 1 UNL111111111 0.3334 35 H 3.4364 2.6554 1.4140 H 1 UNL111111111 0.1908 36 H 2.5109 3.3010 0.0481 H 1 UNL111111111 0.1811 37 H 5.2122 2.3072 -0.3814 H 1 UNL111111111 0.1814 38 H 5.1406 0.8096 -1.3073 H 1 UNL111111111 0.1922 39 HA -4.0327 1.5475 -1.8882 H 1 UNL111111111 0.1742 40 H1 -5.2239 2.8650 0.4567 H 1 UNL111111111 0.2575 41 H2 -4.0907 3.6126 -0.4600 H 1 UNL111111111 0.2670 42 H 4.0944 -0.5024 -3.6438 H 1 UNL111111111 0.3584 43 H -5.8453 0.0796 -2.2909 H 1 UNL111111111 0.1598 44 H -4.4741 0.6036 1.7645 H 1 UNL111111111 0.1622 45 H -7.3086 -1.8078 -1.5506 H 1 UNL111111111 0.1781 46 H -5.9339 -1.2609 2.5057 H 1 UNL111111111 0.1658 47 H 3.0115 -0.8343 2.8760 H 1 UNL111111111 0.2046 48 H 3.3696 -3.6641 -0.0926 H 1 UNL111111111 0.3630 49 H -7.4896 -2.8764 1.7913 H 1 UNL111111111 0.3302 @BOND 1 1 14 1 2 1 19 1 3 2 20 1 4 2 27 1 5 3 16 2 6 4 22 1 7 4 42 1 8 5 21 2 9 6 22 2 10 7 30 1 11 7 49 1 12 8 14 1 13 8 16 am 14 8 17 1 15 9 15 1 16 9 21 am 17 9 34 1 18 10 23 1 19 10 40 1 20 10 41 1 21 11 12 ar 22 11 27 ar 23 12 13 ar 24 12 48 1 25 13 31 ar 26 14 15 1 27 14 32 1 28 15 16 1 29 15 33 1 30 17 18 2 31 17 22 1 32 18 19 1 33 18 20 1 34 19 35 1 35 19 36 1 36 20 37 1 37 20 38 1 38 21 23 1 39 23 24 1 40 23 39 1 41 24 25 ar 42 24 26 ar 43 25 28 ar 44 25 43 1 45 26 29 ar 46 26 44 1 47 27 31 ar 48 28 30 ar 49 28 45 1 50 29 30 ar 51 29 46 1 52 31 47 1