@MOLECULE (6s,7r)-7-({(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.7329 -0.9766 -2.3683 S.3 1 UNK1111111111 -0.0208 2 S -3.7640 3.9250 -0.6431 S.2 0 UNK0 0.1571 3 O 1.6428 -1.4181 2.0645 O.2 1 UNK1 -0.3759 4 O 3.5915 1.4711 2.2902 O.3 1 UNK1 -0.5203 5 O 5.0883 -0.1883 2.2577 O.2 1 UNK1 -0.4640 6 O -0.8557 0.6593 -1.6708 O.2 0 UNK0 -0.5018 7 O -3.2036 -2.1165 -0.8055 O.2 0 UNK0 -0.1604 8 O -3.5887 -5.0457 1.1381 O.3 0 UNK0 -0.5531 9 O -1.8257 -3.7049 0.8481 O.2 0 UNK0 -0.5062 10 N 2.3759 -0.0996 0.2175 N.am 1 UNK1 -0.4796 11 N -0.6766 -1.0800 -0.1943 N.am 1 UNK1 -0.5589 12 N -3.7090 -0.8819 -0.4119 N.2 0 UNK0 -0.1499 13 N -3.3162 1.9328 1.0211 N.ar 0 UNK0 -0.4698 14 N -3.8375 3.9501 2.1557 N.pl3 0 UNK0 -0.5791 15 C 1.6460 -0.2824 -1.0650 C.3 1 UNK1 0.0025 16 C 0.7311 -1.3406 -0.3578 C.3 1 UNK1 -0.0067 17 C 1.5969 -1.0513 0.9427 C.2 1 UNK1 0.5601 18 C 3.7186 0.2470 0.3039 C.2 1 UNK1 0.0841 19 C 4.0997 0.2296 -2.1796 C.3 1 UNK1 -0.3169 20 C 4.5306 0.4229 -0.7661 C.2 1 UNK1 -0.0603 21 C 4.2270 0.4328 1.6970 C.2 1 UNK1 0.6289 22 C -1.3554 -0.0947 -0.8657 C.2 0 UNK0 0.5748 23 C 5.9250 0.8400 -0.6193 C.2 1 UNK1 -0.1408 24 C -2.8232 0.0497 -0.4924 C.2 0 UNK0 0.0489 25 C 6.3233 1.8463 0.1610 C.2 1 UNK1 -0.2818 26 C -3.2070 1.4540 -0.2837 C.ar 0 UNK0 0.1679 27 C -3.3984 2.3551 -1.2952 C.ar 0 UNK0 -0.3534 28 C -3.6051 3.2326 1.0195 C.ar 0 UNK0 0.2838 29 C -3.9664 -3.1524 -0.1890 C.3 0 UNK0 -0.1496 30 C -2.9839 -3.9442 0.6371 C.2 0 UNK0 0.6233 31 H 1.1629 0.6636 -1.3988 H 1 UNK1 0.2180 32 H 0.8908 -2.3918 -0.7026 H 1 UNK1 0.1821 33 H -1.1821 -1.7910 0.3463 H 1 UNK1 0.3567 34 H 3.8022 1.2055 -2.6228 H 1 UNK1 0.1805 35 H 4.9345 -0.1482 -2.8095 H 1 UNK1 0.1797 36 H 6.6375 0.2560 -1.2096 H 1 UNK1 0.1572 37 H 7.3575 2.1410 0.2681 H 1 UNK1 0.1513 38 H 5.6536 2.4530 0.7542 H 1 UNK1 0.1547 39 H 3.8519 1.5955 3.2394 H 1 UNK1 0.3510 40 H -3.3107 2.1720 -2.3520 H 0 UNK0 0.2047 41 H -4.8160 -2.7753 0.4235 H 0 UNK0 0.2045 42 H -4.3827 -3.7517 -1.0247 H 0 UNK0 0.1814 43 H -3.8013 4.9484 2.1515 H 0 UNK0 0.3107 44 H -3.6906 3.4994 3.0446 H 0 UNK0 0.3197 45 H -2.9965 -5.6055 1.7029 H 0 UNK0 0.3658 @BOND 1 1 15 1 2 1 19 1 3 2 27 ar 4 2 28 ar 5 3 17 2 6 4 21 1 7 4 39 1 8 5 21 2 9 6 22 2 10 7 12 1 11 7 29 1 12 8 30 1 13 8 45 1 14 9 30 2 15 10 15 1 16 10 17 am 17 10 18 1 18 11 16 1 19 11 22 am 20 11 33 1 21 12 24 2 22 13 26 ar 23 13 28 ar 24 14 28 1 25 14 43 1 26 14 44 1 27 15 16 1 28 15 31 1 29 16 17 1 30 16 32 1 31 18 20 2 32 18 21 1 33 19 20 1 34 19 34 1 35 19 35 1 36 20 23 1 37 22 24 1 38 23 25 2 39 23 36 1 40 24 26 1 41 25 37 1 42 25 38 1 43 26 27 ar 44 27 40 1 45 29 30 1 46 29 41 1 47 29 42 1