@MOLECULE 2-[(4Z)-2-[(1S)-1-amino-3-methylsulfanyl-propyl]-4-[(4-hydroxyphenyl)methylene]-5-oxo-imidazol-1-yl]acetic acid 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.1633 1.3269 2.3011 N.3 1 UNL111111111 -0.6245 2 C -5.2846 3.9981 -0.1351 C.3 1 UNL111111111 -0.5016 3 S -4.2280 2.7508 -0.9380 S.3 1 UNL111111111 -0.0094 4 C -3.5490 1.8416 0.5101 C.3 1 UNL111111111 -0.3155 5 C -2.2718 1.1208 0.0992 C.3 1 UNL111111111 -0.2803 6 C -1.6900 0.3657 1.3193 C.3 1 UNL111111111 0.0560 7 C -0.6159 -0.5782 0.8190 C.2 1 UNL111111111 0.2913 8 N 0.6180 -0.2188 0.5449 N.2 1 UNL111111111 -0.4402 9 O 6.5351 2.5394 -0.2439 O.3 1 UNL111111111 -0.4707 10 C 3.2271 0.9855 -0.3018 C.ar 1 UNL111111111 -0.0038 11 C 4.1857 1.9939 -0.3012 C.ar 1 UNL111111111 -0.3364 12 C 5.5318 1.6285 -0.2546 C.ar 1 UNL111111111 0.3219 13 C 5.9452 0.2894 -0.2187 C.ar 1 UNL111111111 -0.2722 14 C 4.9735 -0.6970 -0.2271 C.ar 1 UNL111111111 -0.0494 15 C 3.6057 -0.3629 -0.2597 C.ar 1 UNL111111111 -0.1254 16 C 2.6386 -1.4420 -0.2520 C.2 1 UNL111111111 -0.0058 17 C 1.3435 -1.3651 0.1057 C.2 1 UNL111111111 -0.0556 18 C 0.4015 -2.5293 0.1203 C.2 1 UNL111111111 0.5532 19 O 0.5285 -3.6866 -0.1631 O.2 1 UNL111111111 -0.4404 20 N -0.8129 -1.9749 0.6470 N.am 1 UNL111111111 -0.5285 21 C -2.0672 -2.6855 0.6513 C.3 1 UNL111111111 -0.1240 22 C -2.8805 -2.3929 -0.5944 C.2 1 UNL111111111 0.6036 23 O -2.5821 -1.7567 -1.5652 O.2 1 UNL111111111 -0.4694 24 O -4.0976 -2.9783 -0.4674 O.3 1 UNL111111111 -0.5609 25 H -0.7163 0.8665 3.0800 H 1 UNL111111111 0.2588 26 H -0.4997 1.9664 1.8832 H 1 UNL111111111 0.2683 27 H -5.7995 4.5653 -0.9211 H 1 UNL111111111 0.1714 28 H -6.0460 3.5429 0.5046 H 1 UNL111111111 0.1588 29 H -4.7014 4.7042 0.4639 H 1 UNL111111111 0.1613 30 H -3.3404 2.5429 1.3428 H 1 UNL111111111 0.1731 31 H -4.3076 1.1307 0.8812 H 1 UNL111111111 0.1495 32 H -2.4560 0.4074 -0.7331 H 1 UNL111111111 0.1741 33 H -1.5135 1.8317 -0.2943 H 1 UNL111111111 0.1711 34 H -2.5025 -0.2194 1.8309 H 1 UNL111111111 0.1569 35 H 6.2026 3.4695 -0.2734 H 1 UNL111111111 0.3303 36 H 2.1652 1.2540 -0.3409 H 1 UNL111111111 0.1857 37 H 3.8883 3.0359 -0.3349 H 1 UNL111111111 0.1642 38 H 7.0052 0.0524 -0.1861 H 1 UNL111111111 0.1773 39 H 5.2734 -1.7462 -0.2004 H 1 UNL111111111 0.1545 40 H 3.0244 -2.4291 -0.5617 H 1 UNL111111111 0.1734 41 H -1.8628 -3.7946 0.6979 H 1 UNL111111111 0.2119 42 H -2.6622 -2.4459 1.5676 H 1 UNL111111111 0.1834 43 H -4.6859 -2.8476 -1.2540 H 1 UNL111111111 0.3641 @BOND 1 1 25 1 2 1 26 1 3 2 3 1 4 2 27 1 5 2 28 1 6 2 29 1 7 3 4 1 8 4 5 1 9 4 30 1 10 4 31 1 11 5 6 1 12 5 32 1 13 5 33 1 14 6 7 1 15 6 1 1 16 6 34 1 17 7 20 1 18 8 7 2 19 8 17 1 20 9 12 1 21 9 35 1 22 10 36 1 23 11 10 ar 24 11 37 1 25 12 11 ar 26 13 12 ar 27 13 14 ar 28 13 38 1 29 14 15 ar 30 14 39 1 31 15 10 ar 32 15 16 1 33 16 40 1 34 17 16 2 35 17 18 1 36 18 19 2 37 20 18 am 38 20 21 1 39 21 41 1 40 21 42 1 41 22 23 2 42 22 21 1 43 24 22 1 44 24 43 1