@MOLECULE (2e)-n-[1-(benzylsulfinyl)-3-hydroxy-2-propanyl]-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acrylamide 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.1080 0.3745 -0.2097 S.O 1 UNK111111111 1.1447 2 O -0.9242 4.1068 1.3574 O.3 1 UNK111111111 -0.5681 3 O -3.6868 0.7414 -1.5218 O.2 1 UNK111111111 -0.7853 4 O 0.9277 1.9929 -1.8696 O.2 0 UNK0 -0.5256 5 O 4.0666 -1.9215 -2.0459 O.2 0 UNK0 -0.4508 6 O 7.3748 -2.5203 1.0101 O.2 0 UNK0 -0.4844 7 N -0.1120 1.7287 0.1297 N.am 1 UNK1 -0.6059 8 N 6.0744 -0.6610 1.2002 N.ar 0 UNK0 -0.5533 9 N 5.7046 -2.2455 -0.5427 N.ar 0 UNK0 -0.6235 10 C -1.2978 2.4798 -0.3008 C.3 1 UNK1 0.1062 11 C -2.5164 1.9836 0.4840 C.3 1 UNK1 -0.5378 12 C -1.0881 3.9944 -0.0488 C.3 1 UNK1 -0.0504 13 C -4.5517 0.1858 0.9408 C.3 1 UNK1 -0.5313 14 C -5.2840 -1.0661 0.6138 C.ar 1 UNK1 0.0286 15 C 0.9717 1.5802 -0.7273 C.2 0 UNK0 0.5946 16 C -4.9573 -2.2663 1.2504 C.ar 1 UNK1 -0.1804 17 C -6.3303 -1.0442 -0.3146 C.ar 1 UNK1 -0.1584 18 C 2.1209 0.8466 -0.1476 C.2 0 UNK0 -0.3336 19 C 4.3026 -0.2526 -0.3491 C.ar 0 UNK0 -0.3584 20 C 3.1751 0.4949 -0.8977 C.2 0 UNK0 0.0327 21 C 5.0215 0.1233 0.7516 C.ar 0 UNK0 0.3464 22 C -5.6821 -3.4244 0.9779 C.ar 1 UNK1 -0.1425 23 C -7.0581 -2.2010 -0.5804 C.ar 1 UNK1 -0.1358 24 C 4.6185 -1.4832 -1.0668 C.ar 0 UNK0 0.6180 25 C -6.7384 -3.3923 0.0697 C.ar 1 UNK1 -0.1607 26 C 4.7688 1.3663 1.5348 C.3 0 UNK0 -0.4862 27 C 6.4481 -1.8772 0.5713 C.ar 0 UNK0 0.6978 28 H -1.4268 2.3432 -1.4174 H 1 UNK1 0.1919 29 H -3.3168 2.7451 0.4473 H 1 UNK1 0.1742 30 H -2.2755 1.8593 1.5530 H 1 UNK1 0.1681 31 H -1.9624 4.5877 -0.3656 H 1 UNK1 0.1259 32 H -0.1816 4.3602 -0.5611 H 1 UNK1 0.1316 33 H -0.0018 1.6083 1.1243 H 1 UNK1 0.3077 34 H -5.2158 1.0650 0.8505 H 1 UNK1 0.1735 35 H -4.1857 0.1815 1.9802 H 1 UNK1 0.1643 36 H -4.1376 -2.3007 1.9641 H 1 UNK1 0.1468 37 H -6.5688 -0.1167 -0.8437 H 1 UNK1 0.1649 38 H 2.0451 0.5744 0.9032 H 0 UNK0 0.1593 39 H -0.7178 5.0266 1.6049 H 1 UNK1 0.3163 40 H 3.2245 0.7195 -1.9742 H 0 UNK0 0.1898 41 H -5.4242 -4.3568 1.4746 H 1 UNK1 0.1438 42 H -7.8800 -2.1732 -1.2938 H 1 UNK1 0.1520 43 H 6.6192 -0.3841 2.0175 H 0 UNK0 0.3403 44 H -7.3108 -4.2942 -0.1344 H 1 UNK1 0.1490 45 H 4.3424 1.1440 2.5261 H 0 UNK0 0.1795 46 H 4.0574 2.0425 1.0237 H 0 UNK0 0.1960 47 H 5.6852 1.9567 1.6955 H 0 UNK0 0.1777 48 H 5.9587 -3.1164 -1.0177 H 0 UNK0 0.3509 @BOND 1 1 3 2 2 1 11 1 3 1 13 1 4 2 12 1 5 2 39 1 6 4 15 2 7 5 24 2 8 6 27 2 9 7 10 1 10 7 15 am 11 7 33 1 12 8 21 ar 13 8 27 ar 14 8 43 1 15 9 24 ar 16 9 27 ar 17 9 48 1 18 10 11 1 19 10 12 1 20 10 28 1 21 11 29 1 22 11 30 1 23 12 31 1 24 12 32 1 25 13 14 1 26 13 34 1 27 13 35 1 28 14 16 ar 29 14 17 ar 30 15 18 1 31 16 22 ar 32 16 36 1 33 17 23 ar 34 17 37 1 35 18 20 2 36 18 38 1 37 19 20 1 38 19 21 ar 39 19 24 ar 40 20 40 1 41 21 26 1 42 22 25 ar 43 22 41 1 44 23 25 ar 45 23 42 1 46 25 44 1 47 26 45 1 48 26 46 1 49 26 47 1