@MOLECULE (2z)-2-(3-methyl-6-oxo-2,4-cyclohexadien-1-ylidene)-1,3-thiazolidine-4-carboxylic acid 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 S1 0.7391 1.7869 -0.0395 S.3 1 <1> 0.2666 2 O1 4.5712 -0.5655 0.3606 O.3 1 <1> -0.5404 3 O2 2.9820 -2.0719 0.8155 O.2 1 <1> -0.4931 4 O3 -1.1153 2.1991 0.3000 O.2 1 <1> -0.4550 5 N1 1.1158 -0.7536 -0.7190 N.pl3 1 <1> -0.4663 6 C1 2.5027 -0.2438 -0.7374 C.3 1 <1> 0.0271 7 C2 2.4997 1.2349 -0.3831 C.3 1 <1> -0.4633 8 C3 0.1792 0.1310 -0.3165 C.2 1 <1> 0.2395 9 C4 -1.1925 -0.0646 -0.1388 C.2 1 <1> -0.3539 10 C5 3.3250 -1.0737 0.2417 C.2 1 <1> 0.5903 11 C6 -1.9526 -1.2544 -0.2567 C.2 1 <1> -0.0643 12 C7 -1.8497 1.1666 0.2085 C.2 1 <1> 0.4100 13 C8 -3.3037 -1.2246 -0.0417 C.2 1 <1> -0.0719 14 C9 -3.2659 1.1726 0.4284 C.2 1 <1> -0.2900 15 C10 -3.9560 0.0047 0.3027 C.2 1 <1> -0.0454 16 C11 -4.1393 -2.4541 -0.1539 C.3 1 <1> -0.4352 17 H1 2.9200 -0.4122 -1.7727 H 1 <1> 0.1798 18 H2 3.1036 1.4720 0.5052 H 1 <1> 0.1750 19 H3 2.8895 1.8592 -1.1996 H 1 <1> 0.1686 20 H4 0.9701 -1.7549 -0.6981 H 1 <1> 0.3310 21 H5 -1.4435 -2.1796 -0.5175 H 1 <1> 0.1429 22 H6 -3.7390 2.1145 0.6895 H 1 <1> 0.1765 23 H7 -5.0354 -0.0209 0.4647 H 1 <1> 0.1502 24 H8 -3.5530 -3.3416 -0.4259 H 1 <1> 0.1504 25 H9 -4.9199 -2.3391 -0.9200 H 1 <1> 0.1538 26 H10 -4.6430 -2.6828 0.7969 H 1 <1> 0.1554 27 H11 5.1501 -1.0769 0.9846 H 1 <1> 0.3617 @BOND 1 1 7 1 2 1 8 1 3 2 10 1 4 2 27 1 5 3 10 2 6 4 12 2 7 5 6 1 8 5 8 1 9 5 20 1 10 6 7 1 11 6 10 1 12 6 17 1 13 7 18 1 14 7 19 1 15 8 9 2 16 9 11 1 17 9 12 1 18 11 13 2 19 11 21 1 20 12 14 1 21 13 15 1 22 13 16 1 23 14 15 2 24 14 22 1 25 15 23 1 26 16 24 1 27 16 25 1 28 16 26 1