@MOLECULE 7-{[(2-amino-1,3-thiazol-4-yl)(formamido)acetyl]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.4091 0.3884 -1.2977 S.3 1 UNL111111111 -0.0022 2 S 3.9846 0.7601 0.4906 S.3 1 UNL111111111 0.1855 3 S -3.6040 3.7102 0.8109 S.2 1 UNL111111111 0.1563 4 S 6.5096 2.3515 1.0937 S.2 1 UNL111111111 0.3097 5 O -0.4831 -3.6183 0.8952 O.2 1 UNL111111111 -0.3636 6 O 2.5839 -3.9044 -0.2531 O.3 1 UNL111111111 -0.5124 7 O -4.3396 -1.3815 -1.3606 O.2 1 UNL111111111 -0.4707 8 OXT 2.9989 -2.4103 1.3641 O.2 1 UNL111111111 -0.4450 9 O -5.9331 -2.0489 2.1668 O.2 1 UNL111111111 -0.5279 10 N 0.3707 -2.1893 -0.8034 N.am 1 UNL111111111 -0.4847 11 N -2.5811 -1.3337 0.0676 N.am 1 UNL111111111 -0.5981 12 N -6.0692 -0.4724 0.5711 N.am 1 UNL111111111 -0.5773 13 N -4.7809 1.8599 -0.6362 N.ar 1 UNL111111111 -0.5110 14 N -4.7284 3.9287 -1.7577 N.pl3 1 UNL111111111 -0.5805 15 N 7.9379 0.7395 -0.2201 N.ar 1 UNL111111111 -0.0962 16 N 8.0709 1.7809 0.4492 N.ar 1 UNL111111111 -0.1842 17 C -0.6165 -1.4039 -1.5893 C.3 1 UNL111111111 -0.0411 18 CA -1.7684 -2.1395 -0.7908 C.3 1 UNL111111111 0.0265 19 C -0.6037 -2.8517 0.0052 C.2 1 UNL111111111 0.5461 20 CA 1.6611 -1.7665 -0.5372 C.2 1 UNL111111111 0.0973 21 C 2.1879 -0.6085 -1.0067 C.2 1 UNL111111111 -0.0696 22 C 1.3861 0.4412 -1.6954 C.3 1 UNL111111111 -0.3144 23 C -3.8756 -1.0016 -0.3156 C.2 1 UNL111111111 0.5702 24 C 3.6500 -0.3580 -0.9320 C.3 1 UNL111111111 -0.3472 25 C 2.4747 -2.6868 0.3201 C.2 1 UNL111111111 0.6114 26 CA -4.6501 -0.1866 0.7415 C.3 1 UNL111111111 0.0051 27 C -4.3642 1.2738 0.5545 C.ar 1 UNL111111111 0.1552 28 C -3.7372 2.0930 1.4507 C.ar 1 UNL111111111 -0.4006 29 C 5.6938 0.9985 0.3429 C.ar 1 UNL111111111 -0.2565 30 C -6.6117 -1.5004 1.3211 C.2 1 UNL111111111 0.4792 31 C -4.4623 3.1535 -0.6772 C.ar 1 UNL111111111 0.2985 32 C 6.6265 0.2404 -0.3221 C.ar 1 UNL111111111 -0.1550 33 H -0.5830 -1.6483 -2.6684 H 1 UNL111111111 0.1765 34 HA -2.3797 -2.8191 -1.4298 H 1 UNL111111111 0.2018 35 H -2.1638 -0.9553 0.9065 H 1 UNL111111111 0.3273 36 H 1.5154 0.3688 -2.7958 H 1 UNL111111111 0.1745 37 H 1.7215 1.4648 -1.4125 H 1 UNL111111111 0.1882 38 H 4.0224 0.1039 -1.8709 H 1 UNL111111111 0.1759 39 H 4.2357 -1.2977 -0.8203 H 1 UNL111111111 0.1780 40 HA -4.3340 -0.5085 1.7835 H 1 UNL111111111 0.2074 41 H -6.5076 -0.0675 -0.2511 H 1 UNL111111111 0.3380 42 H 3.0685 -4.5626 0.3116 H 1 UNL111111111 0.3562 43 H -3.3848 1.8406 2.4321 H 1 UNL111111111 0.1976 44 H -7.6680 -1.7298 1.1335 H 1 UNL111111111 0.1391 45 H 6.4904 -0.6711 -0.8873 H 1 UNL111111111 0.1933 46 H -5.1982 3.5141 -2.5462 H 1 UNL111111111 0.3259 47 H -4.6028 4.9165 -1.7581 H 1 UNL111111111 0.3174 @BOND 1 1 17 1 2 1 22 1 3 2 24 1 4 2 29 1 5 3 28 ar 6 3 31 ar 7 4 16 ar 8 4 29 ar 9 5 19 2 10 6 25 1 11 6 42 1 12 7 23 2 13 8 25 2 14 9 30 2 15 10 17 1 16 10 19 am 17 10 20 1 18 11 18 1 19 11 23 am 20 11 35 1 21 12 26 1 22 12 30 am 23 12 41 1 24 13 27 ar 25 13 31 ar 26 14 31 1 27 14 46 1 28 14 47 1 29 15 16 ar 30 15 32 ar 31 17 18 1 32 17 33 1 33 18 19 1 34 18 34 1 35 20 21 2 36 20 25 1 37 21 22 1 38 21 24 1 39 22 36 1 40 22 37 1 41 23 26 1 42 24 38 1 43 24 39 1 44 26 27 1 45 26 40 1 46 27 28 ar 47 28 43 1 48 29 32 ar 49 30 44 1 50 32 45 1