@MOLECULE (2e,4r)-2-(6-oxo-2,4-cyclohexadien-1-ylidene)-1,3-thiazolidine-4-carboxylic acid 24 25 0 0 0 SMALL GASTEIGER @ATOM 1 S1 0.7599 2.0112 0.0460 S.3 1 <1> 0.0926 2 O1 4.1785 -0.6162 0.3823 O.3 1 <1> -0.5689 3 O2 2.3598 -1.5959 1.2411 O.2 1 <1> -0.4322 4 O3 -1.2859 -1.9850 -0.7754 O.2 1 <1> -0.5904 5 N1 0.7510 -0.4610 -0.7739 N.pl3 1 <1> -0.4775 6 C1 2.1789 -0.1548 -0.7524 C.3 1 <1> 0.0184 7 C2 2.3571 1.3612 -0.6029 C.3 1 <1> -0.3595 8 C3 -0.0981 0.4725 -0.2748 C.2 1 <1> 0.2699 9 C4 -1.4473 0.2541 -0.0800 C.2 1 <1> -0.3738 10 C5 2.8483 -0.8839 0.4143 C.2 1 <1> 0.5784 11 C6 -1.9914 -1.0841 -0.3266 C.2 1 <1> 0.5269 12 C7 -2.3495 1.2738 0.3705 C.2 1 <1> -0.0325 13 C8 -3.4011 -1.3179 -0.0290 C.2 1 <1> -0.3033 14 C9 -3.6594 1.0099 0.6090 C.2 1 <1> -0.2549 15 C10 -4.1883 -0.3134 0.4140 C.2 1 <1> -0.0348 16 H1 2.6428 -0.5260 -1.7129 H 1 <1> 0.1938 17 H2 3.1849 1.6301 0.0805 H 1 <1> 0.1914 18 H3 2.5906 1.8410 -1.5716 H 1 <1> 0.1808 19 H4 0.4108 -1.4415 -0.9080 H 1 <1> 0.3905 20 H5 -1.9658 2.2835 0.5224 H 1 <1> 0.1430 21 H6 -3.7602 -2.3309 -0.1916 H 1 <1> 0.1769 22 H7 -4.3386 1.7843 0.9523 H 1 <1> 0.1536 23 H8 -5.2447 -0.4741 0.6351 H 1 <1> 0.1453 24 H9 4.6948 -1.0680 1.0975 H 1 <1> 0.3662 @BOND 1 1 7 1 2 1 8 1 3 2 10 1 4 2 24 1 5 3 10 2 6 4 11 2 7 5 6 1 8 5 8 1 9 5 19 1 10 6 7 1 11 6 10 1 12 6 16 1 13 7 17 1 14 7 18 1 15 8 9 2 16 9 11 1 17 9 12 1 18 11 13 1 19 12 14 2 20 12 20 1 21 13 15 2 22 13 21 1 23 14 15 1 24 14 22 1 25 15 23 1