@MOLECULE (benzoylamino)methyl (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.1676 -0.2625 -1.2353 S.3 1 UNL111111111 -0.0564 2 O -0.9081 -2.3001 2.5435 O.2 1 UNL111111111 -0.3970 3 O 2.5141 -1.2431 0.0286 O.3 1 UNL111111111 -0.4966 4 O 1.6052 -2.8783 -1.1999 O.2 1 UNL111111111 -0.4645 5 O -5.3755 -1.4248 0.0780 O.2 1 UNL111111111 -0.4915 6 O 5.2098 0.0644 -1.6742 O.2 1 UNL111111111 -0.5048 7 N -0.8278 -2.1118 0.1639 N.am 1 UNL111111111 -0.5089 8 N -3.6116 -1.0866 1.4520 N.am 1 UNL111111111 -0.6099 9 N 4.7573 -0.8881 0.3275 N.am 1 UNL111111111 -0.5951 10 C -2.1575 -1.9437 -0.5120 C.3 1 UNL111111111 -0.0265 11 C -0.2945 -0.2926 -1.4128 C.3 1 UNL111111111 0.0777 12 C 0.1934 -1.1294 -0.1870 C.3 1 UNL111111111 -0.0361 13 C -2.8628 -2.1734 0.8811 C.3 1 UNL111111111 -0.0020 14 C -1.4024 -2.2231 1.4691 C.2 1 UNL111111111 0.5347 15 C 0.0582 -0.9630 -2.7292 C.3 1 UNL111111111 -0.4794 16 C 0.2431 1.1238 -1.3637 C.3 1 UNL111111111 -0.4742 17 C 1.4649 -1.8877 -0.5398 C.2 1 UNL111111111 0.6061 18 C -4.8787 -0.7743 0.9656 C.2 1 UNL111111111 0.6063 19 C -5.5738 0.3532 1.6996 C.3 1 UNL111111111 -0.3734 20 C 3.8146 -1.8087 -0.2569 C.3 1 UNL111111111 0.1908 21 C -5.8450 1.4910 0.7656 C.ar 1 UNL111111111 0.0155 22 C -4.8815 2.4792 0.5550 C.ar 1 UNL111111111 -0.1641 23 C -7.0812 1.5748 0.1226 C.ar 1 UNL111111111 -0.1511 24 C 5.3856 0.0667 -0.4731 C.2 1 UNL111111111 0.5858 25 C -5.1709 3.5661 -0.2672 C.ar 1 UNL111111111 -0.1368 26 C -7.3677 2.6655 -0.6949 C.ar 1 UNL111111111 -0.1382 27 C -6.4180 3.6685 -0.8814 C.ar 1 UNL111111111 -0.1534 28 C 6.3589 0.9746 0.1898 C.ar 1 UNL111111111 -0.1430 29 C 7.3969 1.4631 -0.6101 C.ar 1 UNL111111111 -0.0803 30 C 6.2841 1.3326 1.5359 C.ar 1 UNL111111111 -0.1175 31 C 8.3759 2.2834 -0.0554 C.ar 1 UNL111111111 -0.1650 32 C 7.2741 2.1396 2.0915 C.ar 1 UNL111111111 -0.1613 33 C 8.3199 2.6109 1.2981 C.ar 1 UNL111111111 -0.1102 34 H -2.3636 -2.7318 -1.2609 H 1 UNL111111111 0.1850 35 H 0.4123 -0.4532 0.6886 H 1 UNL111111111 0.1802 36 H -3.4301 -3.1276 0.9211 H 1 UNL111111111 0.1861 37 H -0.1598 -2.0477 -2.7255 H 1 UNL111111111 0.1809 38 H 1.1293 -0.8646 -2.9600 H 1 UNL111111111 0.1658 39 H -0.4796 -0.5275 -3.5797 H 1 UNL111111111 0.1679 40 H 1.3453 1.1224 -1.3298 H 1 UNL111111111 0.1720 41 H -0.0973 1.6941 -0.4903 H 1 UNL111111111 0.1604 42 H -0.0375 1.7019 -2.2576 H 1 UNL111111111 0.1704 43 H -3.1384 -0.4839 2.1086 H 1 UNL111111111 0.3193 44 H -6.5285 -0.0495 2.1147 H 1 UNL111111111 0.1866 45 H -5.0073 0.7013 2.5876 H 1 UNL111111111 0.1677 46 H 3.8507 -2.7996 0.2445 H 1 UNL111111111 0.1443 47 H 3.9324 -1.8914 -1.3619 H 1 UNL111111111 0.1730 48 H 4.7670 -0.8125 1.3330 H 1 UNL111111111 0.3145 49 H -3.9054 2.4037 1.0276 H 1 UNL111111111 0.1504 50 H -7.8185 0.7834 0.2513 H 1 UNL111111111 0.1590 51 H -4.4230 4.3401 -0.4264 H 1 UNL111111111 0.1483 52 H -8.3376 2.7330 -1.1841 H 1 UNL111111111 0.1501 53 H -6.6468 4.5256 -1.5108 H 1 UNL111111111 0.1485 54 H 7.4312 1.1992 -1.6712 H 1 UNL111111111 0.1765 55 H 5.4590 0.9946 2.1605 H 1 UNL111111111 0.1492 56 H 9.1829 2.6653 -0.6783 H 1 UNL111111111 0.1576 57 H 7.2347 2.4005 3.1480 H 1 UNL111111111 0.1556 58 H 9.0935 3.2388 1.7380 H 1 UNL111111111 0.1509 @BOND 1 1 10 1 2 1 11 1 3 2 14 2 4 3 17 1 5 3 20 1 6 4 17 2 7 5 18 2 8 6 24 2 9 7 10 1 10 7 12 1 11 7 14 am 12 8 13 1 13 8 18 am 14 8 43 1 15 9 20 1 16 9 24 am 17 9 48 1 18 10 13 1 19 10 34 1 20 11 12 1 21 11 15 1 22 11 16 1 23 12 17 1 24 12 35 1 25 13 14 1 26 13 36 1 27 15 37 1 28 15 38 1 29 15 39 1 30 16 40 1 31 16 41 1 32 16 42 1 33 18 19 1 34 19 21 1 35 19 44 1 36 19 45 1 37 20 46 1 38 20 47 1 39 21 22 ar 40 21 23 ar 41 22 25 ar 42 22 49 1 43 23 26 ar 44 23 50 1 45 24 28 1 46 25 27 ar 47 25 51 1 48 26 27 ar 49 26 52 1 50 27 53 1 51 28 29 ar 52 28 30 ar 53 29 31 ar 54 29 54 1 55 30 32 ar 56 30 55 1 57 31 33 ar 58 31 56 1 59 32 33 ar 60 32 57 1 61 33 58 1