@MOLECULE 7-[(5-amino-5-carboxypentanoyl)amino]-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.3172 -0.9471 1.8006 S.3 1 UNL1111 0.0051 2 O -1.0452 3.3255 0.3911 O.2 1 UNL1111 -0.3725 3 O -5.2238 -1.7315 -0.2616 O.3 1 UNL1111 -0.4468 4 O 2.7937 0.2354 1.2675 O.2 1 UNL1111 -0.4931 5 O -3.6072 2.0702 -1.9517 O.3 1 UNL1111 -0.5154 6 OXT -4.6233 2.7443 -0.0772 O.2 1 UNL1111 -0.4538 7 O 8.0150 0.5604 0.5036 O.3 1 UNL1111 -0.5540 8 OXT 7.7679 -1.5788 1.0906 O.2 1 UNL1111 -0.5085 9 O -7.4969 -1.5362 -0.2885 O.2 1 UNL1111 -0.5345 10 N -1.6959 1.0699 -0.0215 N.am 1 UNL1111 -0.4846 11 N 1.4130 1.2364 -0.2112 N.am 1 UNL1111 -0.6166 12 N 6.9043 -2.3108 -1.4773 N.3 1 UNL1111 -0.6237 13 N -6.4396 -3.3761 -1.1799 N.am 1 UNL1111 -0.6747 14 C -0.7273 0.0106 0.3612 C.3 1 UNL1111 -0.0472 15 CA 0.3098 1.1535 0.7025 C.3 1 UNL1111 0.0150 16 C -0.8610 2.1575 0.3774 C.2 1 UNL1111 0.5451 17 CA -3.0741 0.8893 -0.0029 C.2 1 UNL1111 0.0855 18 C -3.6841 -0.2086 0.4929 C.2 1 UNL1111 -0.0724 19 C -2.9892 -1.3405 1.1619 C.3 1 UNL1111 -0.3125 20 C 2.6504 0.7106 0.1653 C.2 1 UNL1111 0.5954 21 C -5.1599 -0.4276 0.3458 C.3 1 UNL1111 -0.0002 22 C 3.7326 0.8042 -0.8815 C.3 1 UNL1111 -0.3580 23 C -3.8516 2.0044 -0.6235 C.2 1 UNL1111 0.6191 24 C 4.8975 -0.1103 -0.4874 C.3 1 UNL1111 -0.2556 25 C 6.0287 0.0063 -1.5121 C.3 1 UNL1111 -0.2816 26 CA 7.2277 -0.9056 -1.1976 C.3 1 UNL1111 -0.0035 27 C 7.6755 -0.7245 0.2490 C.2 1 UNL1111 0.5779 28 C -6.4929 -2.1547 -0.5547 C.2 1 UNL1111 0.7264 29 H -0.4540 -0.6392 -0.4901 H 1 UNL1111 0.1753 30 HA 0.6427 1.1944 1.7668 H 1 UNL1111 0.2097 31 H 1.2290 1.5750 -1.1425 H 1 UNL1111 0.3207 32 H -2.9252 -2.2065 0.4637 H 1 UNL1111 0.1851 33 H -3.5767 -1.7075 2.0344 H 1 UNL1111 0.1889 34 H -5.6838 -0.4593 1.3234 H 1 UNL1111 0.1614 35 H -5.6783 0.2979 -0.3115 H 1 UNL1111 0.1604 36 H 3.3547 0.5337 -1.8871 H 1 UNL1111 0.1642 37 H 4.0841 1.8552 -0.9578 H 1 UNL1111 0.1762 38 H 5.2543 0.1591 0.5303 H 1 UNL1111 0.1671 39 H 4.5424 -1.1558 -0.4009 H 1 UNL1111 0.1513 40 H 6.3814 1.0566 -1.5680 H 1 UNL1111 0.1583 41 H 5.6513 -0.2501 -2.5251 H 1 UNL1111 0.1631 42 HA 8.0907 -0.6200 -1.8676 H 1 UNL1111 0.1760 43 H -4.1093 2.8020 -2.4018 H 1 UNL1111 0.3552 44 H1 7.6394 -2.9372 -1.1722 H 1 UNL1111 0.2658 45 H2 6.0406 -2.5962 -1.0375 H 1 UNL1111 0.2598 46 H 8.3240 0.7120 1.4337 H 1 UNL1111 0.3588 47 H -7.2886 -3.8117 -1.4805 H 1 UNL1111 0.3249 48 H -5.5773 -3.8289 -1.3906 H 1 UNL1111 0.3175 @BOND 1 1 14 1 2 1 19 1 3 2 16 2 4 3 21 1 5 3 28 1 6 4 20 2 7 5 23 1 8 5 43 1 9 6 23 2 10 7 27 1 11 7 46 1 12 8 27 2 13 9 28 2 14 10 14 1 15 10 16 am 16 10 17 1 17 11 15 1 18 11 20 am 19 11 31 1 20 12 26 1 21 12 44 1 22 12 45 1 23 13 28 am 24 13 47 1 25 13 48 1 26 14 15 1 27 14 29 1 28 15 16 1 29 15 30 1 30 17 18 2 31 17 23 1 32 18 19 1 33 18 21 1 34 19 32 1 35 19 33 1 36 20 22 1 37 21 34 1 38 21 35 1 39 22 24 1 40 22 36 1 41 22 37 1 42 24 25 1 43 24 38 1 44 24 39 1 45 25 26 1 46 25 40 1 47 25 41 1 48 26 27 1 49 26 42 1