@MOLECULE (2r,2'z,4r,4'r)-3-methyl-2'-(6-oxo-2,4-cyclohexadien-1-ylidene)-2,4'-bi-1,3-thiazolidine-4-carboxylic acid 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.9622 -1.0688 -1.4851 S.3 1 UNL111111111 0.0018 2 S -1.0021 1.4927 0.5422 S.3 1 UNL111111111 0.2715 3 O 5.3677 0.6965 0.1231 O.3 1 UNL111111111 -0.5661 4 O 3.6375 2.0898 -0.1006 O.2 1 UNL111111111 -0.4822 5 O -2.8477 1.9472 -0.1353 O.2 1 UNL111111111 -0.4864 6 N 2.8716 -0.9423 0.4317 N.3 1 UNL111111111 -0.4308 7 N -0.7964 -1.0723 1.1403 N.pl3 1 UNL111111111 -0.4990 8 C 1.4848 -1.3895 0.2611 C.3 1 UNL111111111 -0.0509 9 C 0.6086 -0.6296 1.3095 C.3 1 UNL111111111 0.0946 10 C 3.4233 -0.2735 -0.7752 C.3 1 UNL111111111 -0.0151 11 C 2.3309 0.1086 -1.7743 C.3 1 UNL111111111 -0.3539 12 C 0.6300 0.8898 1.2154 C.3 1 UNL111111111 -0.4517 13 C 3.7655 -2.0092 0.9197 C.3 1 UNL111111111 -0.2751 14 C -1.6523 -0.1492 0.6561 C.2 1 UNL111111111 0.2594 15 C 4.0879 0.9856 -0.2226 C.2 1 UNL111111111 0.6313 16 C -2.9843 -0.3206 0.2724 C.2 1 UNL111111111 -0.3831 17 C -3.5773 0.9224 -0.1641 C.2 1 UNL111111111 0.4435 18 C -3.7585 -1.5053 0.2500 C.2 1 UNL111111111 -0.0133 19 C -4.9466 0.9272 -0.6051 C.2 1 UNL111111111 -0.3078 20 C -5.0558 -1.4699 -0.1785 C.2 1 UNL111111111 -0.2808 21 C -5.6470 -0.2401 -0.6067 C.2 1 UNL111111111 -0.0243 22 H 1.3699 -2.4891 0.4328 H 1 UNL111111111 0.1457 23 H 0.9543 -0.9558 2.3294 H 1 UNL111111111 0.1517 24 H 4.2050 -0.9064 -1.2811 H 1 UNL111111111 0.1673 25 H 1.9704 1.1517 -1.6331 H 1 UNL111111111 0.2024 26 H 2.6744 0.0364 -2.8204 H 1 UNL111111111 0.1744 27 H 0.7845 1.3561 2.2005 H 1 UNL111111111 0.1650 28 H 1.4396 1.2784 0.5780 H 1 UNL111111111 0.1869 29 H -1.0268 -2.0462 1.2202 H 1 UNL111111111 0.3139 30 H 4.7756 -1.5843 1.0809 H 1 UNL111111111 0.1699 31 H 3.8545 -2.8754 0.2467 H 1 UNL111111111 0.1309 32 H 3.4051 -2.3556 1.9033 H 1 UNL111111111 0.1524 33 H -3.3044 -2.4382 0.5778 H 1 UNL111111111 0.1296 34 H 5.8549 1.4579 0.5261 H 1 UNL111111111 0.3595 35 H -5.3711 1.8739 -0.9230 H 1 UNL111111111 0.1733 36 H -5.6632 -2.3684 -0.2035 H 1 UNL111111111 0.1527 37 H -6.6864 -0.2651 -0.9383 H 1 UNL111111111 0.1430 @BOND 1 1 8 1 2 1 11 1 3 2 12 1 4 2 14 1 5 3 15 1 6 3 34 1 7 4 15 2 8 5 17 2 9 6 8 1 10 6 10 1 11 6 13 1 12 7 9 1 13 7 14 1 14 7 29 1 15 8 9 1 16 8 22 1 17 9 12 1 18 9 23 1 19 10 11 1 20 10 15 1 21 10 24 1 22 11 25 1 23 11 26 1 24 12 27 1 25 12 28 1 26 13 30 1 27 13 31 1 28 13 32 1 29 14 16 2 30 16 17 1 31 16 18 1 32 17 19 1 33 18 20 2 34 18 33 1 35 19 21 2 36 19 35 1 37 20 21 1 38 20 36 1 39 21 37 1