@MOLECULE (2e,4s)-2-(5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-6-oxo-2,4-cyclohexadien-1-ylidene)-4-methyl-1,3-thiazolidine-4-carboxylic acid 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.2943 -1.3981 0.1341 S.3 1 UNL1111111111 0.2479 2 O 6.3219 -2.6645 1.1992 O.3 1 UNL1111111111 -0.5495 3 O 6.3028 -0.4371 1.3953 O.2 1 UNL1111111111 -0.4759 4 O -0.9276 2.6869 0.1101 O.2 1 UNL1111111111 -0.3388 5 O 0.5448 0.2239 0.1648 O.2 1 UNL1111111111 -0.5108 6 O -3.8234 1.1498 0.4252 O.3 1 UNL1111111111 -0.4050 7 O -6.6469 -0.3350 0.7030 O.3 1 UNL1111111111 -0.4175 8 O -6.8718 -2.9581 -1.0679 O.3 1 UNL1111111111 -0.3852 9 N 4.4728 -0.1467 -0.6293 N.pl3 1 UNL1111111111 -0.5087 10 C 4.9932 -1.5062 -0.3921 C.3 1 UNL1111111111 0.2097 11 C 3.8088 -2.4347 -0.1231 C.3 1 UNL1111111111 -0.4271 12 C 3.1725 0.0887 -0.2892 C.2 1 UNL1111111111 0.2456 13 C 5.8451 -1.9536 -1.5818 C.3 1 UNL1111111111 -0.4722 14 C 5.9239 -1.4263 0.8331 C.2 1 UNL1111111111 0.5749 15 C 2.5435 1.3148 -0.3065 C.2 1 UNL1111111111 -0.3520 16 C 1.1061 1.2914 -0.0696 C.2 1 UNL1111111111 0.4429 17 C 3.1949 2.5718 -0.5305 C.2 1 UNL1111111111 -0.0885 18 C 0.4033 2.5796 -0.1471 C.2 1 UNL1111111111 0.0836 19 C 2.4947 3.7347 -0.5543 C.2 1 UNL1111111111 -0.1915 20 C 1.0720 3.7409 -0.3717 C.2 1 UNL1111111111 -0.1685 21 C -1.7518 1.6695 -0.4731 C.3 1 UNL1111111111 -0.0587 22 C -3.1730 2.2058 -0.2668 C.3 1 UNL1111111111 -0.0635 23 C -5.1539 1.4584 0.8150 C.3 1 UNL1111111111 -0.0582 24 C -5.6167 0.1836 1.5315 C.3 1 UNL1111111111 -0.0564 25 C -6.9908 -1.6826 0.9987 C.3 1 UNL1111111111 -0.0835 26 C -7.7215 -2.1751 -0.2563 C.3 1 UNL1111111111 -0.0584 27 C -5.8955 -2.2066 -1.7699 C.3 1 UNL1111111111 -0.1977 28 H 3.6215 -3.1188 -0.9687 H 1 UNL1111111111 0.1793 29 H 3.9673 -3.0810 0.7588 H 1 UNL1111111111 0.1880 30 H 5.1392 0.6030 -0.7444 H 1 UNL1111111111 0.3304 31 H 5.2581 -1.9735 -2.5115 H 1 UNL1111111111 0.1761 32 H 6.2422 -2.9680 -1.4191 H 1 UNL1111111111 0.1770 33 H 6.7032 -1.2938 -1.7604 H 1 UNL1111111111 0.1638 34 H 4.2741 2.5746 -0.6671 H 1 UNL1111111111 0.1351 35 H 6.9316 -2.6705 1.9836 H 1 UNL1111111111 0.3631 36 H 2.9875 4.6910 -0.7128 H 1 UNL1111111111 0.1541 37 H 0.5409 4.6903 -0.4108 H 1 UNL1111111111 0.1662 38 H -1.4884 1.5358 -1.5319 H 1 UNL1111111111 0.1275 39 H -1.6003 0.7146 0.0755 H 1 UNL1111111111 0.1835 40 H -3.6971 2.4000 -1.2160 H 1 UNL1111111111 0.1208 41 H -3.1671 3.1253 0.3501 H 1 UNL1111111111 0.1393 42 H -5.1529 2.3368 1.4809 H 1 UNL1111111111 0.1209 43 H -5.7733 1.6663 -0.0784 H 1 UNL1111111111 0.1384 44 H -6.0342 0.3880 2.5310 H 1 UNL1111111111 0.1198 45 H -4.7814 -0.5383 1.6200 H 1 UNL1111111111 0.1452 46 H -6.0913 -2.2936 1.1960 H 1 UNL1111111111 0.1377 47 H -7.6411 -1.6827 1.8900 H 1 UNL1111111111 0.1202 48 H -8.1457 -1.3315 -0.8298 H 1 UNL1111111111 0.1379 49 H -8.5267 -2.8907 -0.0083 H 1 UNL1111111111 0.1404 50 H -5.3344 -2.9762 -2.3122 H 1 UNL1111111111 0.1383 51 H -5.2395 -1.6661 -1.0771 H 1 UNL1111111111 0.1402 52 H -6.3701 -1.5091 -2.4652 H 1 UNL1111111111 0.1201 @BOND 1 1 11 1 2 1 12 1 3 2 14 1 4 2 35 1 5 3 14 2 6 4 18 1 7 4 21 1 8 5 16 2 9 6 22 1 10 6 23 1 11 7 24 1 12 7 25 1 13 8 26 1 14 8 27 1 15 9 10 1 16 9 12 1 17 9 30 1 18 10 11 1 19 10 13 1 20 10 14 1 21 11 28 1 22 11 29 1 23 12 15 2 24 13 31 1 25 13 32 1 26 13 33 1 27 15 16 1 28 15 17 1 29 16 18 1 30 17 19 2 31 17 34 1 32 18 20 2 33 19 20 1 34 19 36 1 35 20 37 1 36 21 22 1 37 21 38 1 38 21 39 1 39 22 40 1 40 22 41 1 41 23 24 1 42 23 42 1 43 23 43 1 44 24 44 1 45 24 45 1 46 25 26 1 47 25 46 1 48 25 47 1 49 26 48 1 50 26 49 1 51 27 50 1 52 27 51 1 53 27 52 1