@MOLECULE (6r,7r)-7-{[(2r)-2-amino-2-phenylacetyl]amino}-8-oxo-3-{[(2h-1,2,3-triazol-4-ylmethyl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.3560 0.5761 1.9775 S.3 1 UNL1111111111 -0.0067 2 S 2.8907 0.3227 0.4680 S.3 1 UNL1111111111 0.0298 3 O -1.9502 2.5699 -2.2191 O.2 1 UNL1111111111 -0.3382 4 O 1.5676 4.0467 -0.9195 O.3 1 UNL1111111111 -0.5423 5 O -5.4035 0.1272 0.2325 O.2 1 UNL1111111111 -0.5201 6 OXT 0.9175 2.3452 -2.2178 O.2 1 UNL1111111111 -0.4328 7 N -1.1772 2.5634 0.0410 N.am 1 UNL1111111111 -0.4871 8 N -3.2436 0.2106 -0.4458 N.am 1 UNL1111111111 -0.5862 9 N -5.4401 -2.6739 0.3165 N.3 1 UNL1111111111 -0.6126 10 N 5.7791 -1.8620 0.8436 N.ar 1 UNL1111111111 -0.2466 11 N 6.1565 -2.7736 -0.0704 N.ar 1 UNL1111111111 -0.0637 12 N 5.9177 -2.3962 -1.3409 N.ar 1 UNL1111111111 -0.2230 13 C -2.0978 1.9599 1.0476 C.3 1 UNL1111111111 -0.0490 14 CA -3.0978 1.5993 -0.1275 C.3 1 UNL1111111111 0.0065 15 C -2.0444 2.2846 -1.0779 C.2 1 UNL1111111111 0.5335 16 CA 0.2091 2.4378 0.0983 C.2 1 UNL1111111111 0.0777 17 C 0.8968 1.9547 1.1593 C.2 1 UNL1111111111 -0.0476 18 C 0.2305 1.4127 2.3746 C.3 1 UNL1111111111 -0.3115 19 C 2.3809 1.9408 1.1859 C.3 1 UNL1111111111 -0.3333 20 C -4.4315 -0.4560 -0.1919 C.2 1 UNL1111111111 0.5322 21 C 0.8983 2.8880 -1.1499 C.2 1 UNL1111111111 0.6236 22 CA -4.4629 -1.9686 -0.5218 C.3 1 UNL1111111111 -0.0212 23 C -3.0814 -2.5595 -0.4005 C.ar 1 UNL1111111111 -0.0452 24 C 4.7125 0.3915 0.7462 C.3 1 UNL1111111111 -0.3134 25 C -2.3914 -2.9115 -1.5627 C.ar 1 UNL1111111111 -0.1601 26 C -2.4623 -2.6920 0.8434 C.ar 1 UNL1111111111 -0.1532 27 C 5.2574 -0.8226 0.1330 C.ar 1 UNL1111111111 0.0209 28 C -1.0755 -3.3603 -1.4816 C.ar 1 UNL1111111111 -0.1370 29 C -1.1475 -3.1455 0.9218 C.ar 1 UNL1111111111 -0.1319 30 C -0.4496 -3.4682 -0.2407 C.ar 1 UNL1111111111 -0.1315 31 C 5.3517 -1.1692 -1.2630 C.ar 1 UNL1111111111 -0.1096 32 H -2.4887 2.7355 1.7374 H 1 UNL1111111111 0.1788 33 HA -4.0770 2.1243 -0.0572 H 1 UNL1111111111 0.2037 34 H 0.0593 2.2223 3.1158 H 1 UNL1111111111 0.1750 35 H 0.8582 0.6525 2.8903 H 1 UNL1111111111 0.1878 36 H -2.4062 -0.2935 -0.7280 H 1 UNL1111111111 0.3364 37 H 2.8260 2.7782 0.6091 H 1 UNL1111111111 0.1829 38 H 2.7772 2.0489 2.2141 H 1 UNL1111111111 0.1666 39 HA -4.8375 -2.0545 -1.5856 H 1 UNL1111111111 0.1820 40 H1 -5.1120 -2.8196 1.2585 H 1 UNL1111111111 0.2549 41 H2 -6.3232 -2.1784 0.3488 H 1 UNL1111111111 0.2727 42 H 2.0065 4.4103 -1.7312 H 1 UNL1111111111 0.3554 43 H 5.1397 1.3077 0.2900 H 1 UNL1111111111 0.1749 44 H 4.9352 0.4429 1.8335 H 1 UNL1111111111 0.1804 45 H -2.8767 -2.8361 -2.5351 H 1 UNL1111111111 0.1569 46 H -2.9956 -2.4310 1.7558 H 1 UNL1111111111 0.1522 47 H -0.5335 -3.6207 -2.3893 H 1 UNL1111111111 0.1539 48 H -0.6609 -3.2354 1.8920 H 1 UNL1111111111 0.1544 49 H 0.5857 -3.8000 -0.1790 H 1 UNL1111111111 0.1548 50 H 5.0358 -0.6044 -2.1195 H 1 UNL1111111111 0.2055 51 H 6.5819 -3.6496 0.1736 H 1 UNL1111111111 0.3506 @BOND 1 1 13 1 2 1 18 1 3 2 19 1 4 2 24 1 5 3 15 2 6 4 21 1 7 4 42 1 8 5 20 2 9 6 21 2 10 7 13 1 11 7 15 am 12 7 16 1 13 8 14 1 14 8 20 am 15 8 36 1 16 9 22 1 17 9 40 1 18 9 41 1 19 10 11 ar 20 10 27 ar 21 11 12 ar 22 11 51 1 23 12 31 ar 24 13 14 1 25 13 32 1 26 14 15 1 27 14 33 1 28 16 17 2 29 16 21 1 30 17 18 1 31 17 19 1 32 18 34 1 33 18 35 1 34 19 37 1 35 19 38 1 36 20 22 1 37 22 23 1 38 22 39 1 39 23 25 ar 40 23 26 ar 41 24 27 1 42 24 43 1 43 24 44 1 44 25 28 ar 45 25 45 1 46 26 29 ar 47 26 46 1 48 27 31 ar 49 28 30 ar 50 28 47 1 51 29 30 ar 52 29 48 1 53 30 49 1 54 31 50 1