@MOLECULE (2r,5s,6s)-3,3-dimethyl-7-oxo-6-{[(2r)-2-{[(2-oxo-1-imidazolidinyl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.0595 -1.9644 -1.1768 S.3 1 UNL111111111 -0.0834 2 O -2.2592 0.0954 2.2521 O.2 1 UNL111111111 -0.3759 3 O -6.7821 1.4070 0.5158 O.3 1 UNL111111111 -0.5740 4 OXT -5.5552 1.4496 -1.3483 O.2 1 UNL111111111 -0.4679 5 O 0.8694 -1.4450 0.5711 O.2 1 UNL111111111 -0.4706 6 O 4.4737 0.5792 -1.8028 O.2 1 UNL111111111 -0.5459 7 O 4.6280 -2.2489 1.2596 O.2 1 UNL111111111 -0.5206 8 N -3.5149 0.2434 0.2345 N.am 1 UNL111111111 -0.5232 9 N -0.4833 -0.0265 -0.5524 N.am 1 UNL111111111 -0.5873 10 N 3.1815 -0.3160 -0.1348 N.am 1 UNL111111111 -0.5971 11 N 5.5204 -0.6853 -0.2192 N.am 1 UNL111111111 -0.5738 12 N 6.8431 -2.3601 0.5766 N.am 1 UNL111111111 -0.6052 13 C -2.9627 -0.5037 -0.9338 C.3 1 UNL111111111 -0.0163 14 C -5.3064 -1.4579 0.1445 C.3 1 UNL111111111 0.0599 15 CA -4.9093 -0.0014 0.5462 C.3 1 UNL111111111 -0.0300 16 CA -1.6405 -0.7581 -0.1101 C.3 1 UNL111111111 0.0000 17 C -2.4131 -0.1035 1.0969 C.2 1 UNL111111111 0.5230 18 C -6.7087 -1.5365 -0.4360 C.3 1 UNL111111111 -0.4790 19 C -5.1585 -2.3751 1.3481 C.3 1 UNL111111111 -0.4688 20 C -5.7272 1.0120 -0.2468 C.2 1 UNL111111111 0.6292 21 C 0.7653 -0.4470 -0.1007 C.2 1 UNL111111111 0.5575 22 CA 1.9738 0.3738 -0.5961 C.3 1 UNL111111111 0.0241 23 C 1.9017 1.8059 -0.1053 C.ar 1 UNL111111111 -0.0470 24 C 4.3640 -0.1071 -0.8048 C.2 1 UNL111111111 0.7404 25 C 1.2725 2.7698 -0.8981 C.ar 1 UNL111111111 -0.1671 26 C 2.4964 2.1842 1.0980 C.ar 1 UNL111111111 -0.1232 27 C 6.8334 -0.4499 -0.8621 C.3 1 UNL111111111 -0.0718 28 C 7.7509 -1.5605 -0.2617 C.3 1 UNL111111111 -0.0886 29 C 5.5604 -1.8294 0.6137 C.2 1 UNL111111111 0.7194 30 C 1.2430 4.1011 -0.4885 C.ar 1 UNL111111111 -0.1363 31 C 2.4803 3.5200 1.4972 C.ar 1 UNL111111111 -0.1396 32 C 1.8544 4.4802 0.7061 C.ar 1 UNL111111111 -0.1412 33 H -2.8730 0.0989 -1.8538 H 1 UNL111111111 0.1873 34 HA -5.0846 0.1736 1.6511 H 1 UNL111111111 0.2068 35 HA -1.3903 -1.8301 0.0735 H 1 UNL111111111 0.2097 36 H -7.0423 -2.5748 -0.5759 H 1 UNL111111111 0.1662 37 H -7.4434 -1.0563 0.2313 H 1 UNL111111111 0.1712 38 H -6.7986 -1.0441 -1.4168 H 1 UNL111111111 0.1726 39 H -5.3309 -3.4301 1.0924 H 1 UNL111111111 0.1672 40 H -4.1623 -2.3214 1.8117 H 1 UNL111111111 0.1648 41 H -5.8898 -2.1237 2.1313 H 1 UNL111111111 0.1620 42 H -0.6294 0.8992 -0.9353 H 1 UNL111111111 0.3240 43 HA 1.9711 0.3738 -1.7287 H 1 UNL111111111 0.1910 44 H -7.3417 2.1092 0.1056 H 1 UNL111111111 0.3598 45 H 3.1033 -0.9784 0.6462 H 1 UNL111111111 0.3754 46 H 0.8277 2.4963 -1.8535 H 1 UNL111111111 0.1488 47 H 2.9835 1.4400 1.7291 H 1 UNL111111111 0.1668 48 H 7.1861 0.5710 -0.6005 H 1 UNL111111111 0.1600 49 H 6.7629 -0.5125 -1.9690 H 1 UNL111111111 0.1646 50 H 8.1846 -2.2013 -1.0575 H 1 UNL111111111 0.1511 51 H 8.5827 -1.1271 0.3300 H 1 UNL111111111 0.1427 52 H 7.1817 -3.0221 1.2442 H 1 UNL111111111 0.3375 53 H 0.7496 4.8509 -1.1051 H 1 UNL111111111 0.1501 54 H 2.9604 3.8088 2.4307 H 1 UNL111111111 0.1522 55 H 1.8479 5.5231 1.0171 H 1 UNL111111111 0.1486 @BOND 1 1 13 1 2 1 14 1 3 2 17 2 4 3 20 1 5 3 44 1 6 4 20 2 7 5 21 2 8 6 24 2 9 7 29 2 10 8 13 1 11 8 15 1 12 8 17 am 13 9 16 1 14 9 21 am 15 9 42 1 16 10 22 1 17 10 24 am 18 10 45 1 19 11 24 am 20 11 27 1 21 11 29 am 22 12 28 1 23 12 29 am 24 12 52 1 25 13 16 1 26 13 33 1 27 14 15 1 28 14 18 1 29 14 19 1 30 15 20 1 31 15 34 1 32 16 17 1 33 16 35 1 34 18 36 1 35 18 37 1 36 18 38 1 37 19 39 1 38 19 40 1 39 19 41 1 40 21 22 1 41 22 23 1 42 22 43 1 43 23 25 ar 44 23 26 ar 45 25 30 ar 46 25 46 1 47 26 31 ar 48 26 47 1 49 27 28 1 50 27 48 1 51 27 49 1 52 28 50 1 53 28 51 1 54 30 32 ar 55 30 53 1 56 31 32 ar 57 31 54 1 58 32 55 1