@MOLECULE 4-[(2-{[(6r,7r)-3-(acetoxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino}-2-oxoethyl)sulfanyl]-1-methylpyridinium 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.2988 1.8180 -1.4809 S.3 1 UNL1111 -0.0110 2 S 5.0647 -0.6010 -0.4043 S.3 1 UNL1111 0.0677 3 O 1.0379 -0.1914 2.4248 O.2 1 UNL1111 -0.3805 4 O -4.5870 0.4661 -0.9179 O.3 1 UNL1111 -0.4403 5 O -2.2348 -0.3313 3.0162 O.3 1 UNL1111 -0.4856 6 OXT -1.8857 -2.0243 1.5947 O.2 1 UNL1111 -0.5058 7 O 4.0395 2.6351 0.8838 O.2 1 UNL1111 -0.5047 8 O -6.1561 -0.9831 -0.2182 O.2 1 UNL1111 -0.4984 9 N -0.5444 1.0526 1.1603 N.am 1 UNL1111 -0.4868 10 N 2.4016 1.3940 -0.0608 N.am 1 UNL1111 -0.6090 11 N 0.9577 -2.4789 -0.7900 N.ar 1 UNL1111 -0.2238 12 C -0.0164 2.1429 0.2973 C.3 1 UNL1111 -0.0329 13 CA 1.4281 1.8536 0.8764 C.3 1 UNL1111 0.0225 14 C 0.7430 0.6818 1.6846 C.2 1 UNL1111 0.5350 15 CA -1.6200 0.2423 0.8251 C.2 1 UNL1111 0.0888 16 C -2.3558 0.3756 -0.3010 C.2 1 UNL1111 -0.1027 17 C -2.0814 1.3973 -1.3435 C.3 1 UNL1111 -0.3032 18 C -3.5586 -0.4729 -0.5779 C.3 1 UNL1111 -0.0202 19 C -1.9059 -0.8404 1.8167 C.2 1 UNL1111 0.6357 20 C 3.7411 1.7857 0.0760 C.2 1 UNL1111 0.6153 21 C 4.7001 1.1392 -0.8779 C.3 1 UNL1111 -0.4342 22 C -5.8725 0.0948 -0.6682 C.2 1 UNL1111 0.6301 23 C 3.5071 -1.3687 -0.5756 C.ar 1 UNL1111 -0.2580 24 C -6.7879 1.2081 -1.0403 C.3 1 UNL1111 -0.5097 25 C 2.9028 -1.5484 -1.8385 C.ar 1 UNL1111 -0.1479 26 C 2.8108 -1.8041 0.5729 C.ar 1 UNL1111 -0.1194 27 C 1.6367 -2.0734 -1.9292 C.ar 1 UNL1111 -0.0782 28 C 1.5501 -2.3354 0.4580 C.ar 1 UNL1111 -0.0801 29 C -0.4441 -2.8727 -0.8877 C.3 1 UNL1111 -0.2522 30 H -0.4244 3.1309 0.5907 H 1 UNL1111 0.1802 31 HA 1.8185 2.6704 1.5311 H 1 UNL1111 0.2115 32 H -2.6762 2.3163 -1.1423 H 1 UNL1111 0.1840 33 H -2.4067 1.0537 -2.3494 H 1 UNL1111 0.1831 34 H 2.1534 0.5887 -0.6316 H 1 UNL1111 0.3338 35 H -3.8799 -1.1058 0.2743 H 1 UNL1111 0.1673 36 H -3.4193 -1.1241 -1.4642 H 1 UNL1111 0.1481 37 H 4.3419 1.1926 -1.9221 H 1 UNL1111 0.1792 38 H 5.6726 1.6782 -0.8516 H 1 UNL1111 0.1996 39 H -2.3923 -1.0328 3.7074 H 1 UNL1111 0.3565 40 H -6.2802 2.0145 -1.5911 H 1 UNL1111 0.1837 41 H -7.6167 0.8376 -1.6649 H 1 UNL1111 0.1865 42 H -7.2353 1.6554 -0.1367 H 1 UNL1111 0.1896 43 H 3.4347 -1.2717 -2.7492 H 1 UNL1111 0.1645 44 H 3.2606 -1.7086 1.5658 H 1 UNL1111 0.1818 45 H 1.1241 -2.2074 -2.8803 H 1 UNL1111 0.1645 46 H 0.9677 -2.6633 1.3218 H 1 UNL1111 0.1835 47 H -0.6160 -3.5038 -1.7760 H 1 UNL1111 0.1547 48 H -0.7585 -3.4507 0.0055 H 1 UNL1111 0.1831 49 H -1.1008 -1.9840 -0.9469 H 1 UNL1111 0.1543 @BOND 1 1 12 1 2 1 17 1 3 2 21 1 4 2 23 1 5 3 14 2 6 4 18 1 7 4 22 1 8 5 19 1 9 5 39 1 10 6 19 2 11 7 20 2 12 8 22 2 13 9 12 1 14 9 14 am 15 9 15 1 16 10 13 1 17 10 20 am 18 10 34 1 19 11 27 ar 20 11 28 ar 21 11 29 1 22 12 13 1 23 12 30 1 24 13 14 1 25 13 31 1 26 15 16 2 27 15 19 1 28 16 17 1 29 16 18 1 30 17 32 1 31 17 33 1 32 18 35 1 33 18 36 1 34 20 21 1 35 21 37 1 36 21 38 1 37 22 24 1 38 23 25 ar 39 23 26 ar 40 24 40 1 41 24 41 1 42 24 42 1 43 25 27 ar 44 25 43 1 45 26 28 ar 46 26 44 1 47 27 45 1 48 28 46 1 49 29 47 1 50 29 48 1 51 29 49 1