@MOLECULE 7-{[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-3-(1,3-dithiolan-2-yl)-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 1.0232 2.0985 -1.4939 S.3 1 UNL1111111111 0.0089 2 S 3.8968 -1.9511 -1.0823 S.3 1 UNL1111111111 -0.0054 3 S 5.1903 0.6068 -0.1266 S.3 1 UNL1111111111 0.0468 4 S -3.5684 -3.2677 -0.1386 S.2 1 UNL1111111111 0.1531 5 O -0.2443 2.1258 2.7630 O.2 1 UNL1111111111 -0.3784 6 O 0.9107 -0.9518 2.7620 O.3 1 UNL1111111111 -0.5586 7 OXT 2.8843 0.0679 2.9894 O.2 1 UNL1111111111 -0.4515 8 O -3.1388 2.3688 -1.6377 O.2 1 UNL1111111111 -0.4411 9 O -6.5655 0.0453 -0.7103 O.2 1 UNL1111111111 -0.3073 10 N 0.3301 0.8660 0.8219 N.am 1 UNL1111111111 -0.4844 11 N -2.5710 1.8409 0.5155 N.am 1 UNL1111111111 -0.5485 12 N -5.6257 1.0418 -0.7515 N.2 1 UNL1111111111 -0.0926 13 N -2.6503 -0.8423 0.1894 N.ar 1 UNL1111111111 -0.5766 14 N -1.0581 -2.4360 0.8532 N.pl3 1 UNL1111111111 -0.5558 15 C -0.2703 1.3168 -0.4620 C.3 1 UNL1111111111 -0.0353 16 CA -1.2005 2.2911 0.3675 C.3 1 UNL1111111111 0.0210 17 C -0.3392 1.8543 1.6159 C.2 1 UNL1111111111 0.5576 18 CA 1.6085 0.3300 0.9400 C.2 1 UNL1111111111 0.0473 19 C 2.4710 0.1658 -0.0952 C.2 1 UNL1111111111 -0.0231 20 C 2.1592 0.6553 -1.4683 C.3 1 UNL1111111111 -0.3275 21 C 3.7618 -0.5405 0.0956 C.3 1 UNL1111111111 -0.2564 22 C 1.9128 -0.1453 2.3194 C.2 1 UNL1111111111 0.6314 23 C 5.5675 -1.5767 -1.7622 C.3 1 UNL1111111111 -0.3138 24 C 5.8398 -0.0904 -1.7013 C.3 1 UNL1111111111 -0.3285 25 C -3.3309 1.7029 -0.6526 C.2 1 UNL1111111111 0.6003 26 C -4.4125 0.6333 -0.5801 C.2 1 UNL1111111111 -0.0172 27 C -3.9343 -0.7337 -0.3574 C.ar 1 UNL1111111111 0.1576 28 C -4.5772 -1.9150 -0.5991 C.ar 1 UNL1111111111 -0.3575 29 C -2.2829 -2.1104 0.3778 C.ar 1 UNL1111111111 0.3138 30 H -0.8039 0.5032 -0.9944 H 1 UNL1111111111 0.1944 31 HA -1.1490 3.3652 0.1024 H 1 UNL1111111111 0.1977 32 H 1.7150 -0.1648 -2.0786 H 1 UNL1111111111 0.1893 33 H 3.0655 0.9792 -2.0226 H 1 UNL1111111111 0.1877 34 H 3.8814 -0.9625 1.1269 H 1 UNL1111111111 0.1997 35 H -2.6911 1.1051 1.2215 H 1 UNL1111111111 0.3296 36 H 5.5974 -1.9570 -2.8018 H 1 UNL1111111111 0.1688 37 H 6.3252 -2.1557 -1.1970 H 1 UNL1111111111 0.1696 38 H 6.9264 0.1264 -1.7321 H 1 UNL1111111111 0.1734 39 H 5.3950 0.4482 -2.5595 H 1 UNL1111111111 0.1620 40 H 1.0406 -1.2545 3.6982 H 1 UNL1111111111 0.3633 41 H -5.5611 -2.0565 -1.0102 H 1 UNL1111111111 0.2033 42 H -7.4309 0.5534 -0.8330 H 1 UNL1111111111 0.3217 43 H -0.8279 -3.3654 1.1325 H 1 UNL1111111111 0.3159 44 H -0.4601 -1.6871 1.1917 H 1 UNL1111111111 0.3455 @BOND 1 1 15 1 2 1 20 1 3 2 21 1 4 2 23 1 5 3 21 1 6 3 24 1 7 4 28 ar 8 4 29 ar 9 5 17 2 10 6 22 1 11 6 40 1 12 7 22 2 13 8 25 2 14 9 12 1 15 9 42 1 16 10 15 1 17 10 17 am 18 10 18 1 19 11 16 1 20 11 25 am 21 11 35 1 22 12 26 2 23 13 27 ar 24 13 29 ar 25 14 29 1 26 14 43 1 27 14 44 1 28 15 16 1 29 15 30 1 30 16 17 1 31 16 31 1 32 18 19 2 33 18 22 1 34 19 20 1 35 19 21 1 36 20 32 1 37 20 33 1 38 21 34 1 39 23 24 1 40 23 36 1 41 23 37 1 42 24 38 1 43 24 39 1 44 25 26 1 45 26 27 1 46 27 28 ar 47 28 41 1