@MOLECULE (6r,7r)-3-(acetoxymethyl)-7-({(2r)-2-[(2-furoylcarbamoyl)amino]-2-phenylacetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.5207 -1.1298 -0.6539 S.3 1 UNL111111111 -0.0053 2 O -1.9913 3.2605 0.6307 O.2 1 UNL111111111 -0.3669 3 O -7.0681 -0.6255 -0.6143 O.3 1 UNL111111111 -0.4409 4 O -5.1947 3.4199 0.2568 O.3 1 UNL111111111 -0.4978 5 O 1.3156 0.4644 -1.7956 O.2 1 UNL111111111 -0.5060 6 OXT -5.2413 2.2203 2.1442 O.2 1 UNL111111111 -0.4676 7 O 4.2808 -0.0309 1.9543 O.2 1 UNL111111111 -0.4563 8 O -8.9009 -0.8540 0.6514 O.2 1 UNL111111111 -0.4958 9 O 6.9591 0.4383 2.0332 O.2 1 UNL111111111 -0.3851 10 O 7.7823 0.7573 -1.4090 O.2 1 UNL111111111 -0.1972 11 N -3.1845 1.5436 -0.5137 N.am 1 UNL111111111 -0.4754 12 N -0.1157 0.7340 -0.0614 N.am 1 UNL111111111 -0.5791 13 N 3.3950 -0.0764 -0.1537 N.am 1 UNL111111111 -0.6374 14 N 5.6799 0.2957 0.1240 N.am 1 UNL111111111 -0.6552 15 C -2.3719 0.5722 -1.2986 C.3 1 UNL111111111 -0.0436 16 CA -1.0819 1.3906 -0.8921 C.3 1 UNL111111111 0.0087 17 C -2.0647 2.3040 -0.0609 C.2 1 UNL111111111 0.5408 18 CA -4.3733 1.2192 0.1297 C.2 1 UNL111111111 0.0849 19 C -4.9605 0.0043 0.0363 C.2 1 UNL111111111 -0.0800 20 C -4.3578 -1.1696 -0.6502 C.3 1 UNL111111111 -0.3049 21 C 1.0699 0.2863 -0.6245 C.2 1 UNL111111111 0.5681 22 C -6.3403 -0.2425 0.5654 C.3 1 UNL111111111 -0.0167 23 C -4.9667 2.3032 0.9755 C.2 1 UNL111111111 0.6180 24 CA 2.0599 -0.3856 0.3467 C.3 1 UNL111111111 0.0270 25 C 1.7536 -1.8637 0.4046 C.ar 1 UNL111111111 -0.0533 26 C 2.3959 -2.7808 -0.4257 C.ar 1 UNL111111111 -0.1307 27 C 0.8171 -2.3062 1.3420 C.ar 1 UNL111111111 -0.1494 28 C 4.4410 0.0453 0.7622 C.2 1 UNL111111111 0.7288 29 C -8.3902 -0.8972 -0.4359 C.2 1 UNL111111111 0.6264 30 C 2.1226 -4.1423 -0.2998 C.ar 1 UNL111111111 -0.1423 31 C 0.5336 -3.6644 1.4497 C.ar 1 UNL111111111 -0.1327 32 C 1.1928 -4.5859 0.6375 C.ar 1 UNL111111111 -0.1399 33 C -9.0154 -1.2298 -1.7456 C.3 1 UNL111111111 -0.5109 34 C 6.8820 0.4859 0.8342 C.2 1 UNL111111111 0.5946 35 C 8.0338 0.7488 -0.0400 C.ar 1 UNL111111111 -0.0525 36 C 9.3573 1.0040 0.1991 C.ar 1 UNL111111111 -0.1113 37 C 9.9736 1.1911 -1.0891 C.ar 1 UNL111111111 -0.2552 38 C 8.9823 1.0357 -2.0195 C.ar 1 UNL111111111 0.0350 39 H -2.6168 0.6141 -2.3774 H 1 UNL111111111 0.1778 40 HA -0.6041 1.9082 -1.7586 H 1 UNL111111111 0.2024 41 H -0.3780 0.5037 0.8881 H 1 UNL111111111 0.3282 42 H -4.6544 -2.1228 -0.1589 H 1 UNL111111111 0.1847 43 H -4.7429 -1.2414 -1.6921 H 1 UNL111111111 0.1857 44 H -6.8320 0.6445 1.0125 H 1 UNL111111111 0.1611 45 H -6.3822 -1.0677 1.3040 H 1 UNL111111111 0.1567 46 HA 1.9655 0.0609 1.3841 H 1 UNL111111111 0.1984 47 H 3.5173 -0.0695 -1.1554 H 1 UNL111111111 0.3323 48 H -5.5484 4.1705 0.8092 H 1 UNL111111111 0.3563 49 H 3.1189 -2.4466 -1.1674 H 1 UNL111111111 0.1544 50 H 0.3143 -1.6008 2.0005 H 1 UNL111111111 0.1504 51 H 2.6394 -4.8602 -0.9334 H 1 UNL111111111 0.1508 52 H -0.1991 -4.0079 2.1766 H 1 UNL111111111 0.1522 53 H 0.9817 -5.6487 0.7359 H 1 UNL111111111 0.1488 54 H -8.9059 -0.3993 -2.4621 H 1 UNL111111111 0.1883 55 H -10.0915 -1.4356 -1.6284 H 1 UNL111111111 0.1859 56 H -8.5519 -2.1162 -2.2058 H 1 UNL111111111 0.1837 57 H 5.6967 0.3856 -0.8879 H 1 UNL111111111 0.3224 58 H 9.8604 1.0567 1.1468 H 1 UNL111111111 0.1848 59 H 11.0075 1.4102 -1.2547 H 1 UNL111111111 0.1773 60 H 8.9140 1.0726 -3.0836 H 1 UNL111111111 0.1746 @BOND 1 1 15 1 2 1 20 1 3 2 17 2 4 3 22 1 5 3 29 1 6 4 23 1 7 4 48 1 8 5 21 2 9 6 23 2 10 7 28 2 11 8 29 2 12 9 34 2 13 10 35 ar 14 10 38 ar 15 11 15 1 16 11 17 am 17 11 18 1 18 12 16 1 19 12 21 am 20 12 41 1 21 13 24 1 22 13 28 am 23 13 47 1 24 14 28 am 25 14 34 am 26 14 57 1 27 15 16 1 28 15 39 1 29 16 17 1 30 16 40 1 31 18 19 2 32 18 23 1 33 19 20 1 34 19 22 1 35 20 42 1 36 20 43 1 37 21 24 1 38 22 44 1 39 22 45 1 40 24 25 1 41 24 46 1 42 25 26 ar 43 25 27 ar 44 26 30 ar 45 26 49 1 46 27 31 ar 47 27 50 1 48 29 33 1 49 30 32 ar 50 30 51 1 51 31 32 ar 52 31 52 1 53 32 53 1 54 33 54 1 55 33 55 1 56 33 56 1 57 34 35 1 58 35 36 ar 59 36 37 ar 60 36 58 1 61 37 38 ar 62 37 59 1 63 38 60 1