@MOLECULE (2e)-n-{(2s)-1-[(r)-(4-hydroxyphenyl)sulfinyl]-2-propanyl}-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acrylamide 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.7901 0.1334 -0.7875 S.O 1 UNL111111111 1.1262 2 O 3.1151 0.8142 -2.0659 O.2 1 UNL111111111 -0.7919 3 O -1.0326 2.7275 -0.9429 O.2 1 UNL111111111 -0.5193 4 O 7.8608 -2.2421 1.0878 O.3 1 UNL111111111 -0.4699 5 O -5.0621 1.2784 1.6531 O.2 1 UNL111111111 -0.4534 6 O -7.4156 -2.4587 0.5817 O.2 1 UNL111111111 -0.4882 7 N 0.2524 1.4622 0.4349 N.am 1 UNL111111111 -0.6264 8 N -5.6216 -1.9283 -0.7088 N.ar 1 UNL111111111 -0.5544 9 N -6.2494 -0.5625 1.1450 N.ar 1 UNL111111111 -0.6242 10 C 1.4332 2.3288 0.2953 C.3 1 UNL111111111 0.1477 11 C 2.6989 1.4798 0.4772 C.3 1 UNL111111111 -0.5447 12 C 1.4080 3.4372 1.3618 C.3 1 UNL111111111 -0.4881 13 C 4.3407 -0.5580 -0.2028 C.ar 1 UNL111111111 -0.3700 14 C -0.9404 1.7645 -0.2093 C.2 1 UNL111111111 0.5958 15 C -4.3359 0.0251 -0.2475 C.ar 1 UNL111111111 -0.3578 16 C 4.3403 -1.5798 0.7445 C.ar 1 UNL111111111 -0.0499 17 C 5.5367 -0.0973 -0.7461 C.ar 1 UNL111111111 -0.0159 18 C -2.0324 0.7919 0.0363 C.2 1 UNL111111111 -0.2989 19 C -4.5610 -1.0825 -1.0103 C.ar 1 UNL111111111 0.3372 20 C -3.2465 0.9705 -0.4938 C.2 1 UNL111111111 0.0097 21 C -5.1809 0.3477 0.8953 C.ar 1 UNL111111111 0.6207 22 C 5.5386 -2.1371 1.1738 C.ar 1 UNL111111111 -0.2669 23 C 6.7531 -0.6398 -0.3379 C.ar 1 UNL111111111 -0.3283 24 C 6.7327 -1.6528 0.6212 C.ar 1 UNL111111111 0.3175 25 C -3.7313 -1.4805 -2.1799 C.3 1 UNL111111111 -0.4876 26 C -6.5033 -1.6906 0.3742 C.ar 1 UNL111111111 0.6982 27 H 1.4115 2.8008 -0.7307 H 1 UNL111111111 0.1805 28 H 2.7399 1.0312 1.4810 H 1 UNL111111111 0.1612 29 H 3.5884 2.1319 0.4068 H 1 UNL111111111 0.1773 30 H 2.2775 4.0979 1.2684 H 1 UNL111111111 0.1544 31 H 0.5124 4.0629 1.2419 H 1 UNL111111111 0.1676 32 H 1.3939 3.0342 2.3777 H 1 UNL111111111 0.1456 33 H 0.2756 0.7742 1.1666 H 1 UNL111111111 0.3014 34 H 3.4098 -1.9685 1.1641 H 1 UNL111111111 0.1485 35 H 5.5345 0.6906 -1.5121 H 1 UNL111111111 0.1793 36 H -1.7996 -0.0635 0.6672 H 1 UNL111111111 0.1628 37 H -3.4921 1.8428 -1.1135 H 1 UNL111111111 0.1825 38 H 5.5714 -2.9304 1.9138 H 1 UNL111111111 0.1749 39 H 7.6859 -0.2827 -0.7617 H 1 UNL111111111 0.1678 40 H -5.8019 -2.7541 -1.2758 H 1 UNL111111111 0.3399 41 H -3.2364 -2.4525 -2.0267 H 1 UNL111111111 0.1766 42 H -2.9256 -0.7507 -2.3858 H 1 UNL111111111 0.1976 43 H -4.3258 -1.5581 -3.1056 H 1 UNL111111111 0.1820 44 H -6.8741 -0.3799 1.9358 H 1 UNL111111111 0.3502 45 H 8.6804 -1.8776 0.6710 H 1 UNL111111111 0.3326 @BOND 1 1 2 2 2 1 11 1 3 1 13 1 4 3 14 2 5 4 24 1 6 4 45 1 7 5 21 2 8 6 26 2 9 7 10 1 10 7 14 am 11 7 33 1 12 8 19 ar 13 8 26 ar 14 8 40 1 15 9 21 ar 16 9 26 ar 17 9 44 1 18 10 11 1 19 10 12 1 20 10 27 1 21 11 28 1 22 11 29 1 23 12 30 1 24 12 31 1 25 12 32 1 26 13 16 ar 27 13 17 ar 28 14 18 1 29 15 19 ar 30 15 20 1 31 15 21 ar 32 16 22 ar 33 16 34 1 34 17 23 ar 35 17 35 1 36 18 20 2 37 18 36 1 38 19 25 1 39 20 37 1 40 22 24 ar 41 22 38 1 42 23 24 ar 43 23 39 1 44 25 41 1 45 25 42 1 46 25 43 1