@MOLECULE (5s,9r,10s)-10-acetamido-2-imino-4-oxo-9-(3-pentanyloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0899 0.0920 2.2786 O.2 1 UNL111111111 -0.4499 2 C -1.7698 0.2297 1.2937 C.2 1 UNL111111111 0.5602 3 N -2.9622 0.9524 1.3586 N.am 1 UNL111111111 -0.5848 4 C -3.7403 1.0712 0.1892 C.2 1 UNL111111111 0.3469 5 N -4.8376 1.7070 0.2208 N.2 1 UNL111111111 -0.5605 6 S -2.8835 0.2204 -1.1703 S.3 1 UNL111111111 0.0335 7 C -1.4399 -0.2767 -0.1158 C.3 1 UNL111111111 -0.1374 8 C -0.1341 0.3817 -0.6461 C.3 1 UNL111111111 0.0725 9 N -0.1997 1.8267 -0.4550 N.am 1 UNL111111111 -0.6297 10 C 0.5486 2.6766 -1.2669 C.2 1 UNL111111111 0.6243 11 O 1.1603 2.2512 -2.2186 O.2 1 UNL111111111 -0.5025 12 C 0.4673 4.1374 -0.9171 C.3 1 UNL111111111 -0.5247 13 C -1.3532 -1.7601 -0.0806 C.2 1 UNL111111111 -0.1318 14 C -0.2024 -2.4394 -0.2125 C.2 1 UNL111111111 -0.0546 15 C -0.2854 -3.9163 -0.1669 C.2 1 UNL111111111 0.6279 16 O -1.2764 -4.5876 -0.0358 O.2 1 UNL111111111 -0.4946 17 O 0.9398 -4.4841 -0.2910 O.3 1 UNL111111111 -0.5458 18 C 1.1192 -1.7745 -0.3834 C.3 1 UNL111111111 -0.3221 19 C 1.0431 -0.3221 0.1045 C.3 1 UNL111111111 0.0612 20 O 2.2195 0.3600 -0.2653 O.3 1 UNL111111111 -0.3760 21 C 3.2026 0.4070 0.7705 C.3 1 UNL111111111 0.1112 22 C 4.5361 0.4749 0.0020 C.3 1 UNL111111111 -0.2869 23 C 4.8083 -0.7995 -0.7935 C.3 1 UNL111111111 -0.4287 24 C 3.0102 1.6868 1.6112 C.3 1 UNL111111111 -0.3094 25 C 1.7759 1.6739 2.5124 C.3 1 UNL111111111 -0.4332 26 H -3.3040 1.3419 2.2367 H 1 UNL111111111 0.3497 27 H -5.4438 1.8366 -0.5619 H 1 UNL111111111 0.3071 28 H -0.0029 0.1771 -1.7475 H 1 UNL111111111 0.1967 29 H -0.5882 2.1560 0.4205 H 1 UNL111111111 0.3051 30 H -0.1869 4.3689 -0.0700 H 1 UNL111111111 0.1627 31 H 1.4703 4.5262 -0.6845 H 1 UNL111111111 0.1824 32 H 0.1024 4.7058 -1.7886 H 1 UNL111111111 0.1863 33 H -2.2977 -2.2987 0.0761 H 1 UNL111111111 0.1925 34 H 0.9254 -5.4710 -0.2517 H 1 UNL111111111 0.3558 35 H 1.9209 -2.3203 0.1707 H 1 UNL111111111 0.1825 36 H 1.4477 -1.8172 -1.4465 H 1 UNL111111111 0.1853 37 H 0.8861 -0.2833 1.2052 H 1 UNL111111111 0.1566 38 H 3.1498 -0.5040 1.4032 H 1 UNL111111111 0.1200 39 H 4.5062 1.3380 -0.6934 H 1 UNL111111111 0.1564 40 H 5.3622 0.6678 0.7101 H 1 UNL111111111 0.1379 41 H 5.7805 -0.7473 -1.2973 H 1 UNL111111111 0.1395 42 H 4.8087 -1.6906 -0.1547 H 1 UNL111111111 0.1375 43 H 4.0463 -0.9446 -1.5733 H 1 UNL111111111 0.1583 44 H 3.9094 1.8295 2.2480 H 1 UNL111111111 0.1416 45 H 2.9692 2.5601 0.9348 H 1 UNL111111111 0.1483 46 H 0.8561 1.8472 1.9496 H 1 UNL111111111 0.1378 47 H 1.6574 0.7211 3.0362 H 1 UNL111111111 0.1519 48 H 1.8395 2.4564 3.2748 H 1 UNL111111111 0.1433 @BOND 1 1 2 2 2 2 7 1 3 3 2 am 4 3 4 1 5 3 26 1 6 4 6 1 7 5 4 2 8 5 27 1 9 7 6 1 10 7 13 1 11 8 7 1 12 8 28 1 13 9 10 am 14 9 8 1 15 9 29 1 16 10 11 2 17 12 10 1 18 12 30 1 19 12 31 1 20 12 32 1 21 13 14 2 22 13 33 1 23 14 15 1 24 15 17 1 25 16 15 2 26 17 34 1 27 18 14 1 28 18 35 1 29 18 36 1 30 19 8 1 31 19 18 1 32 19 37 1 33 20 19 1 34 21 20 1 35 21 38 1 36 22 21 1 37 22 23 1 38 22 39 1 39 22 40 1 40 23 41 1 41 23 42 1 42 23 43 1 43 24 21 1 44 24 25 1 45 24 44 1 46 24 45 1 47 25 46 1 48 25 47 1 49 25 48 1