@MOLECULE (6r,7r)-7-{[amino(phenyl)acetyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.3212 2.3007 -0.4165 S.3 1 UNL1111 -0.0043 2 O 0.3341 -1.6289 -1.3164 O.2 1 UNL1111 -0.3710 3 O 6.3304 0.6831 0.5876 O.3 1 UNL1111 -0.5360 4 O 2.1101 -2.8525 0.5141 O.3 1 UNL1111 -0.4965 5 O -2.3009 2.3312 -0.9638 O.2 1 UNL1111 -0.5141 6 OXT 4.1923 -2.7209 -0.2788 O.2 1 UNL1111 -0.5066 7 N 1.6348 -0.2941 0.1799 N.am 1 UNL1111 -0.4762 8 N -1.3186 0.7209 0.2908 N.am 1 UNL1111 -0.5887 9 N -4.5970 2.4921 0.5653 N.3 1 UNL1111 -0.6073 10 C 1.1853 1.1067 0.3780 C.3 1 UNL1111 -0.0385 11 CA -0.1042 0.7662 -0.4712 C.3 1 UNL1111 0.0034 12 C 0.5647 -0.6459 -0.7016 C.2 1 UNL1111 0.5460 13 CA 2.9717 -0.6930 0.1426 C.2 1 UNL1111 0.0219 14 C 4.0213 0.1599 0.1922 C.2 1 UNL1111 -0.0473 15 C 3.8985 1.6385 0.2387 C.3 1 UNL1111 -0.3223 16 C -2.3869 1.5321 -0.0589 C.2 1 UNL1111 0.5326 17 C 5.4401 -0.3394 0.1940 C.3 1 UNL1111 -0.0089 18 C 3.1841 -2.1628 0.0792 C.2 1 UNL1111 0.6304 19 CA -3.6659 1.3759 0.7892 C.3 1 UNL1111 -0.0285 20 C -4.3238 0.0673 0.4267 C.ar 1 UNL1111 -0.0412 21 C -4.4926 -0.2841 -0.9142 C.ar 1 UNL1111 -0.1550 22 C -4.7778 -0.7820 1.4349 C.ar 1 UNL1111 -0.1438 23 C -5.1075 -1.4886 -1.2443 C.ar 1 UNL1111 -0.1359 24 C -5.3919 -1.9877 1.1003 C.ar 1 UNL1111 -0.1436 25 C -5.5572 -2.3415 -0.2372 C.ar 1 UNL1111 -0.1378 26 H 1.0054 1.3478 1.4410 H 1 UNL1111 0.1744 27 HA -0.2211 1.3488 -1.4165 H 1 UNL1111 0.2117 28 H -1.3965 0.0126 1.0067 H 1 UNL1111 0.3254 29 H 4.7105 2.1156 -0.3676 H 1 UNL1111 0.2084 30 H 4.0581 2.0072 1.2743 H 1 UNL1111 0.1758 31 H 5.7748 -0.5872 -0.8402 H 1 UNL1111 0.1797 32 H 5.5940 -1.2342 0.8290 H 1 UNL1111 0.1515 33 HA -3.3887 1.4025 1.8806 H 1 UNL1111 0.1711 34 H1 -4.1199 3.3845 0.5737 H 1 UNL1111 0.2647 35 H2 -5.0893 2.4030 -0.3127 H 1 UNL1111 0.2621 36 H 6.3229 0.7953 1.5589 H 1 UNL1111 0.3122 37 H 2.2191 -3.8371 0.4141 H 1 UNL1111 0.3555 38 H -4.1405 0.3796 -1.7052 H 1 UNL1111 0.1643 39 H -4.6689 -0.5015 2.4810 H 1 UNL1111 0.1543 40 H -5.2345 -1.7651 -2.2900 H 1 UNL1111 0.1562 41 H -5.7462 -2.6519 1.8861 H 1 UNL1111 0.1504 42 H -6.0383 -3.2830 -0.4964 H 1 UNL1111 0.1517 @BOND 1 1 10 1 2 1 15 1 3 2 12 2 4 3 17 1 5 3 36 1 6 4 18 1 7 4 37 1 8 5 16 2 9 6 18 2 10 7 10 1 11 7 12 am 12 7 13 1 13 8 11 1 14 8 16 am 15 8 28 1 16 9 19 1 17 9 34 1 18 9 35 1 19 10 11 1 20 10 26 1 21 11 12 1 22 11 27 1 23 13 14 2 24 13 18 1 25 14 15 1 26 14 17 1 27 15 29 1 28 15 30 1 29 16 19 1 30 17 31 1 31 17 32 1 32 19 20 1 33 19 33 1 34 20 21 ar 35 20 22 ar 36 21 23 ar 37 21 38 1 38 22 24 ar 39 22 39 1 40 23 25 ar 41 23 40 1 42 24 25 ar 43 24 41 1 44 25 42 1