@MOLECULE 2-[(2R,4Z)-2-[(1R)-1-amino-3-methylsulfanyl-propyl]-2-hydroxy-4-[(4-hydroxyphenyl)methylene]-5-oxo-imidazolidin-1-yl]acetic acid 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.4841 -1.9614 0.9115 C.2 1 UNL11111111111 0.6434 2 O -2.9434 -1.3876 1.8176 O.2 1 UNL11111111111 -0.5167 3 N -3.3164 0.6063 -0.6078 N.3 1 UNL11111111111 -0.6478 4 C -0.5350 -2.6673 -0.1458 C.2 1 UNL11111111111 0.5699 5 O -0.6416 -3.8097 0.2138 O.2 1 UNL11111111111 -0.4601 6 N -1.5925 -1.8891 -0.6345 N.am 1 UNL11111111111 -0.5719 7 C -1.2167 1.9948 -0.5194 C.3 1 UNL11111111111 -0.3184 8 S -0.9390 4.6733 -0.0064 S.3 1 UNL11111111111 -0.0023 9 C -1.8666 5.8448 1.0318 C.3 1 UNL11111111111 -0.4995 10 C -1.8135 3.0931 0.3522 C.3 1 UNL11111111111 -0.3234 11 O 6.4574 1.0591 0.2571 O.3 1 UNL11111111111 -0.4706 12 C 5.3334 0.3016 0.1796 C.ar 1 UNL11111111111 0.2929 13 C -1.1719 -0.5139 -0.9825 C.3 1 UNL11111111111 0.6063 14 O -1.4304 -0.2775 -2.3277 O.3 1 UNL11111111111 -0.5627 15 N 0.3027 -0.5749 -0.8090 N.pl3 1 UNL11111111111 -0.6032 16 C -1.8986 0.6423 -0.2107 C.3 1 UNL11111111111 0.0028 17 C -2.9731 -2.2844 -0.4795 C.3 1 UNL11111111111 -0.0911 18 C 0.6854 -1.7970 -0.2102 C.2 1 UNL11111111111 0.0499 19 C 1.9046 -2.1587 0.2161 C.2 1 UNL11111111111 -0.1800 20 C 3.3956 -0.5428 -0.9424 C.ar 1 UNL11111111111 -0.0764 21 C 3.9155 -1.2547 1.3169 C.ar 1 UNL11111111111 -0.0802 22 C 4.5270 0.2687 -0.9581 C.ar 1 UNL11111111111 -0.3154 23 C 5.0444 -0.4506 1.3257 C.ar 1 UNL11111111111 -0.2477 24 C 3.0795 -1.2999 0.1893 C.ar 1 UNL11111111111 -0.0744 25 H -3.8751 1.2481 -0.0684 H 1 UNL11111111111 0.2593 26 H -3.4311 0.8043 -1.5931 H 1 UNL11111111111 0.2691 27 O -4.7441 -2.4530 1.0441 O.3 1 UNL11111111111 -0.5681 28 H -1.3309 2.2232 -1.6015 H 1 UNL11111111111 0.1732 29 H -0.1234 1.9272 -0.3504 H 1 UNL11111111111 0.1540 30 H -2.9176 5.9176 0.7365 H 1 UNL11111111111 0.1609 31 H -1.8186 5.5831 2.0937 H 1 UNL11111111111 0.1639 32 H -1.4143 6.8381 0.9104 H 1 UNL11111111111 0.1746 33 H -2.8914 3.2222 0.1573 H 1 UNL11111111111 0.1465 34 H -1.7071 2.8463 1.4252 H 1 UNL11111111111 0.1604 35 H 6.6231 1.5711 -0.5706 H 1 UNL11111111111 0.3277 36 H -0.9336 -0.8902 -2.9182 H 1 UNL11111111111 0.3495 37 H 0.7935 0.2628 -0.5285 H 1 UNL11111111111 0.3168 38 H -1.8356 0.4149 0.8905 H 1 UNL11111111111 0.1860 39 H -3.0724 -3.3858 -0.6703 H 1 UNL11111111111 0.1915 40 H -3.6151 -1.7594 -1.2369 H 1 UNL11111111111 0.2053 41 H 2.0536 -3.1637 0.6294 H 1 UNL11111111111 0.1860 42 H 2.7586 -0.5995 -1.8278 H 1 UNL11111111111 0.1654 43 H 3.6689 -1.8537 2.1949 H 1 UNL11111111111 0.1598 44 H 4.7740 0.8541 -1.8365 H 1 UNL11111111111 0.1612 45 H 5.7026 -0.3942 2.1892 H 1 UNL11111111111 0.1775 46 H -5.1482 -2.2754 1.9274 H 1 UNL11111111111 0.3562 @BOND 1 1 27 1 2 2 1 2 3 3 25 1 4 3 26 1 5 4 18 1 6 4 6 am 7 5 4 2 8 6 13 1 9 7 10 1 10 7 28 1 11 7 29 1 12 8 9 1 13 9 30 1 14 9 31 1 15 9 32 1 16 10 8 1 17 10 33 1 18 10 34 1 19 11 35 1 20 12 11 1 21 12 22 ar 22 13 14 1 23 13 16 1 24 14 36 1 25 15 13 1 26 15 37 1 27 16 3 1 28 16 7 1 29 16 38 1 30 17 1 1 31 17 6 1 32 17 39 1 33 17 40 1 34 18 15 1 35 19 18 2 36 19 24 1 37 19 41 1 38 20 22 ar 39 20 42 1 40 21 23 ar 41 21 24 ar 42 21 43 1 43 22 44 1 44 23 12 ar 45 23 45 1 46 24 20 ar 47 27 46 1