@MOLECULE 3-[5-(2-methyl-2h-tetrazol-5-yl)-3-oxo-2,3-dihydro-1,2-oxazol-4-yl]-l-alanine 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0318 0.9982 -0.9680 O.3 1 UNL111111111 -0.5623 2 C -3.2456 1.5893 -0.0346 C.2 1 UNL111111111 0.5920 3 OXT -3.4348 2.7266 0.3054 O.2 1 UNL111111111 -0.5076 4 CA -2.1943 0.6149 0.4849 C.3 1 UNL111111111 0.0200 5 N -1.3034 1.2700 1.4564 N.3 1 UNL111111111 -0.6440 6 C -1.4275 0.0140 -0.7156 C.3 1 UNL111111111 -0.2711 7 C -0.5296 -1.0669 -0.2835 C.ar 1 UNL111111111 -0.0863 8 C 0.8275 -1.0687 -0.0528 C.ar 1 UNL111111111 0.0165 9 O 1.2580 -2.3384 0.3219 O.2 1 UNL111111111 0.1155 10 N 0.1601 -3.1649 0.3451 N.ar 1 UNL111111111 -0.3431 11 C -0.9094 -2.4414 -0.0034 C.ar 1 UNL111111111 0.3084 12 O -2.1655 -2.8868 -0.0958 O.3 1 UNL111111111 -0.3994 13 C 1.8265 -0.0521 -0.1040 C.ar 1 UNL111111111 0.1192 14 N 3.1804 -0.2157 -0.1540 N.ar 1 UNL111111111 -0.2267 15 N 3.6679 1.0404 -0.1766 N.ar 1 UNL111111111 -0.0050 16 N 2.6741 1.9643 -0.1331 N.ar 1 UNL111111111 -0.0278 17 N 1.5495 1.3306 -0.0882 N.ar 1 UNL111111111 -0.2287 18 C 5.0927 1.3318 -0.1382 C.3 1 UNL111111111 -0.2216 19 H -4.7455 1.5854 -1.3186 H 1 UNL111111111 0.3559 20 HA -2.7320 -0.2108 1.0391 H 1 UNL111111111 0.1883 21 H1 -0.3830 1.4326 1.0782 H 1 UNL111111111 0.2750 22 H2 -1.6824 2.1446 1.7962 H 1 UNL111111111 0.2761 23 H -0.8613 0.8141 -1.2459 H 1 UNL111111111 0.1753 24 H -2.1617 -0.3766 -1.4637 H 1 UNL111111111 0.1920 25 H -2.2195 -3.8560 0.1547 H 1 UNL111111111 0.3443 26 H 5.6683 0.5160 -0.6224 H 1 UNL111111111 0.1862 27 H 5.3002 2.2829 -0.6688 H 1 UNL111111111 0.1815 28 H 5.4381 1.4274 0.9122 H 1 UNL111111111 0.1773 @BOND 1 1 2 1 2 1 19 1 3 2 3 2 4 2 4 1 5 4 5 1 6 4 6 1 7 4 20 1 8 5 21 1 9 5 22 1 10 6 7 1 11 6 23 1 12 6 24 1 13 7 8 ar 14 7 11 ar 15 8 9 ar 16 8 13 1 17 9 10 ar 18 10 11 ar 19 11 12 1 20 12 25 1 21 13 14 ar 22 13 17 ar 23 14 15 ar 24 15 16 ar 25 15 18 1 26 16 17 ar 27 18 26 1 28 18 27 1 29 18 28 1