@MOLECULE 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2r)-amino(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-(1-propenyl)-, (6r,7r)- 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.2937 1.1625 -0.6588 S.3 1 UNL1111111111 -0.0177 2 O 1.7479 -2.8883 0.8538 O.2 1 UNL1111111111 -0.3663 3 O -2.3883 -2.6371 -1.4281 O.2 1 UNL1111111111 -0.5177 4 O 4.9823 -1.3745 -0.0989 O.3 1 UNL1111111111 -0.5159 5 OXT 4.3162 -0.8971 1.9824 O.2 1 UNL1111111111 -0.4637 6 O -4.8876 3.6939 0.2130 O.3 1 UNL1111111111 -0.4746 7 N 2.0793 -0.9522 -0.5033 N.am 1 UNL1111111111 -0.4798 8 N -1.0655 -1.5300 0.0386 N.am 1 UNL1111111111 -0.5806 9 N -4.6006 -2.6346 0.1552 N.3 1 UNL1111111111 -0.6157 10 C 0.8946 -0.4573 -1.2559 C.3 1 UNL1111111111 -0.0401 11 CA 0.0998 -1.7347 -0.7613 C.3 1 UNL1111111111 0.0016 12 C 1.3889 -2.0632 0.0875 C.2 1 UNL1111111111 0.5392 13 CA 3.0222 -0.1160 0.0939 C.2 1 UNL1111111111 0.0519 14 C 1.9144 2.0214 -0.6085 C.3 1 UNL1111111111 -0.3146 15 C 2.9875 1.2331 0.0535 C.2 1 UNL1111111111 -0.0291 16 C -2.2915 -2.0066 -0.3986 C.2 1 UNL1111111111 0.5377 17 C 4.1319 -0.8244 0.7979 C.2 1 UNL1111111111 0.6358 18 CA -3.4888 -1.7501 0.5389 C.3 1 UNL1111111111 -0.0111 19 C 4.0325 2.0397 0.6901 C.2 1 UNL1111111111 -0.2347 20 C -3.8647 -0.2913 0.4615 C.ar 1 UNL1111111111 -0.0982 21 C 5.1400 2.4705 0.0767 C.2 1 UNL1111111111 -0.0656 22 C -3.1924 0.6302 1.2669 C.ar 1 UNL1111111111 -0.0912 23 C -4.8809 0.1471 -0.3959 C.ar 1 UNL1111111111 -0.0512 24 C 5.4818 2.1858 -1.3409 C.3 1 UNL1111111111 -0.4576 25 C -3.4957 1.9880 1.2091 C.ar 1 UNL1111111111 -0.2987 26 C -5.2148 1.4930 -0.4631 C.ar 1 UNL1111111111 -0.2470 27 C -4.5077 2.3954 0.3401 C.ar 1 UNL1111111111 0.2966 28 H 1.0813 -0.4396 -2.3472 H 1 UNL1111111111 0.1792 29 HA -0.0762 -2.4759 -1.5805 H 1 UNL1111111111 0.2073 30 H -0.9908 -0.9273 0.8445 H 1 UNL1111111111 0.3258 31 H 1.7426 2.9853 -0.0834 H 1 UNL1111111111 0.1845 32 H 2.2227 2.2897 -1.6410 H 1 UNL1111111111 0.1793 33 HA -3.2001 -2.0126 1.5963 H 1 UNL1111111111 0.1679 34 H 3.8336 2.2719 1.7403 H 1 UNL1111111111 0.1731 35 H 5.8756 3.0755 0.6124 H 1 UNL1111111111 0.1480 36 H1 -4.4765 -3.5610 0.5304 H 1 UNL1111111111 0.2571 37 H2 -4.6922 -2.7117 -0.8537 H 1 UNL1111111111 0.2708 38 H 5.7390 -1.8536 0.3318 H 1 UNL1111111111 0.3514 39 H -2.4216 0.2974 1.9663 H 1 UNL1111111111 0.1456 40 H -5.4281 -0.5724 -1.0094 H 1 UNL1111111111 0.1672 41 H 4.8403 1.4086 -1.7835 H 1 UNL1111111111 0.1631 42 H 6.5191 1.8360 -1.4432 H 1 UNL1111111111 0.1631 43 H 5.3785 3.0867 -1.9632 H 1 UNL1111111111 0.1585 44 H -2.9569 2.7039 1.8212 H 1 UNL1111111111 0.1624 45 H -6.0044 1.8547 -1.1171 H 1 UNL1111111111 0.1771 46 H -4.3746 4.2944 0.8031 H 1 UNL1111111111 0.3269 @BOND 1 1 10 1 2 1 14 1 3 2 12 2 4 3 16 2 5 4 17 1 6 4 38 1 7 5 17 2 8 6 27 1 9 6 46 1 10 7 10 1 11 7 12 am 12 7 13 1 13 8 11 1 14 8 16 am 15 8 30 1 16 9 18 1 17 9 36 1 18 9 37 1 19 10 11 1 20 10 28 1 21 11 12 1 22 11 29 1 23 13 15 2 24 13 17 1 25 14 15 1 26 14 31 1 27 14 32 1 28 15 19 1 29 16 18 1 30 18 20 1 31 18 33 1 32 19 21 2 33 19 34 1 34 20 22 ar 35 20 23 ar 36 21 24 1 37 21 35 1 38 22 25 ar 39 22 39 1 40 23 26 ar 41 23 40 1 42 24 41 1 43 24 42 1 44 24 43 1 45 25 27 ar 46 25 44 1 47 26 27 ar 48 26 45 1