@MOLECULE (6r,7r)-7-{[amino(1-benzothiophen-3-yl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.3854 0.8178 1.3183 S.3 1 UNL1111111111 -0.0280 2 S 4.0091 1.4389 1.0674 S.2 1 UNL1111111111 0.1960 3 O -2.6676 -2.5832 -0.8666 O.2 1 UNL1111111111 -0.3638 4 O 1.7486 -3.2386 0.8783 O.2 1 UNL1111111111 -0.5117 5 O -3.9728 -0.2713 -1.7805 O.3 1 UNL1111111111 -0.5368 6 OXT -5.5796 -0.1806 -0.2272 O.2 1 UNL1111111111 -0.4609 7 N -2.5373 -0.8604 0.7819 N.am 1 UNL1111111111 -0.4790 8 N 0.3740 -1.7672 -0.1714 N.am 1 UNL1111111111 -0.5842 9 N 3.8961 -2.8212 -0.8112 N.3 1 UNL1111111111 -0.6026 10 C -1.2615 -0.7691 1.5444 C.3 1 UNL1111111111 -0.0403 11 CA -0.7203 -2.0108 0.7196 C.3 1 UNL1111111111 0.0028 12 C -2.1042 -1.9643 -0.0324 C.2 1 UNL1111111111 0.5455 13 CA -3.2627 0.2578 0.3644 C.2 1 UNL1111111111 0.0405 14 C -1.8332 1.9283 1.5477 C.3 1 UNL1111111111 -0.3122 15 C -2.9979 1.5356 0.7101 C.2 1 UNL1111111111 -0.0090 16 C 1.5999 -2.3778 0.0415 C.2 1 UNL1111111111 0.5334 17 CA 2.7605 -1.8945 -0.8663 C.3 1 UNL1111111111 -0.0034 18 C -3.8689 2.6621 0.2741 C.3 1 UNL1111111111 -0.4494 19 C -4.4185 -0.0906 -0.5137 C.2 1 UNL1111111111 0.6382 20 C 3.1181 -0.5284 -0.3637 C.ar 1 UNL1111111111 -0.0717 21 C 2.4674 0.6627 -0.8872 C.ar 1 UNL1111111111 -0.0312 22 C 3.9736 -0.2642 0.6556 C.ar 1 UNL1111111111 -0.2256 23 C 2.8264 1.8247 -0.1724 C.ar 1 UNL1111111111 -0.1223 24 C 1.5663 0.7665 -1.9526 C.ar 1 UNL1111111111 -0.1615 25 C 2.2654 3.0639 -0.4675 C.ar 1 UNL1111111111 -0.1305 26 C 1.0027 1.9997 -2.2451 C.ar 1 UNL1111111111 -0.1283 27 C 1.3418 3.1405 -1.5016 C.ar 1 UNL1111111111 -0.1453 28 H -1.4203 -0.9800 2.6208 H 1 UNL1111111111 0.1804 29 HA -0.5676 -2.9251 1.3380 H 1 UNL1111111111 0.2055 30 H 0.2795 -0.9927 -0.8212 H 1 UNL1111111111 0.3292 31 H -1.4794 2.9520 1.2998 H 1 UNL1111111111 0.1791 32 H -2.1178 1.9508 2.6218 H 1 UNL1111111111 0.1800 33 HA 2.4222 -1.8480 -1.9393 H 1 UNL1111111111 0.1764 34 H -4.8889 2.3436 0.0060 H 1 UNL1111111111 0.1730 35 H -3.4456 3.1672 -0.6095 H 1 UNL1111111111 0.1684 36 H -3.9861 3.4217 1.0614 H 1 UNL1111111111 0.1623 37 H1 3.6453 -3.7351 -1.1655 H 1 UNL1111111111 0.2624 38 H2 4.2516 -2.9346 0.1270 H 1 UNL1111111111 0.2611 39 H 4.5802 -0.9698 1.2005 H 1 UNL1111111111 0.1834 40 H 1.3194 -0.1033 -2.5583 H 1 UNL1111111111 0.1543 41 H -4.6704 -0.6018 -2.4030 H 1 UNL1111111111 0.3574 42 H 2.5374 3.9543 0.0967 H 1 UNL1111111111 0.1587 43 H 0.2861 2.0895 -3.0614 H 1 UNL1111111111 0.1571 44 H 0.8778 4.0945 -1.7463 H 1 UNL1111111111 0.1524 @BOND 1 1 10 1 2 1 14 1 3 2 22 ar 4 2 23 ar 5 3 12 2 6 4 16 2 7 5 19 1 8 5 41 1 9 6 19 2 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 17 1 17 9 37 1 18 9 38 1 19 10 11 1 20 10 28 1 21 11 12 1 22 11 29 1 23 13 15 2 24 13 19 1 25 14 15 1 26 14 31 1 27 14 32 1 28 15 18 1 29 16 17 1 30 17 20 1 31 17 33 1 32 18 34 1 33 18 35 1 34 18 36 1 35 20 21 ar 36 20 22 ar 37 21 23 ar 38 21 24 ar 39 22 39 1 40 23 25 ar 41 24 26 ar 42 24 40 1 43 25 27 ar 44 25 42 1 45 26 27 ar 46 26 43 1 47 27 44 1