@MOLECULE (2r,2'e,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 -0.8897 -0.7098 1.5860 S.3 1 UNL111111111 0.0224 2 S 0.7192 1.9540 -0.4496 S.3 1 UNL111111111 0.0907 3 O -5.4673 0.2715 -0.2176 O.3 1 UNL111111111 -0.5565 4 O -3.9023 1.8587 -0.0904 O.2 1 UNL111111111 -0.5013 5 O 2.9642 -2.0060 -0.6351 O.2 1 UNL111111111 -0.6242 6 N -2.7160 -1.0192 -0.3935 N.3 1 UNL111111111 -0.4390 7 N 0.9232 -0.5644 -1.0491 N.pl3 1 UNL111111111 -0.4936 8 C -1.2801 -1.1970 -0.1542 C.3 1 UNL111111111 -0.0454 9 C -0.5193 -0.3442 -1.2193 C.3 1 UNL111111111 0.0772 10 C -3.4343 -0.4097 0.7539 C.3 1 UNL111111111 -0.0125 11 C -2.4838 0.1580 1.8084 C.3 1 UNL111111111 -0.3666 12 C -0.7821 1.1650 -1.1611 C.3 1 UNL111111111 -0.3654 13 C -3.3777 -2.2522 -0.8609 C.3 1 UNL111111111 -0.2703 14 C 1.6676 0.4431 -0.5452 C.2 1 UNL111111111 0.2895 15 C -4.2345 0.7233 0.1128 C.2 1 UNL111111111 0.6336 16 C 3.0002 0.2996 -0.1821 C.2 1 UNL111111111 -0.3922 17 C 3.6014 -1.0298 -0.2322 C.2 1 UNL111111111 0.5336 18 C 3.8120 1.3901 0.2598 C.2 1 UNL111111111 -0.0145 19 C 4.9820 -1.1773 0.2098 C.2 1 UNL111111111 -0.3172 20 C 5.1024 1.2062 0.6486 C.2 1 UNL111111111 -0.2782 21 C 5.6904 -0.1025 0.6263 C.2 1 UNL111111111 -0.0301 22 H -0.9555 -2.2652 -0.2665 H 1 UNL111111111 0.1654 23 H -0.8180 -0.7383 -2.2332 H 1 UNL111111111 0.1676 24 H -4.1480 -1.1384 1.2313 H 1 UNL111111111 0.1719 25 H -2.3368 1.2533 1.7053 H 1 UNL111111111 0.1912 26 H -2.8554 -0.0078 2.8353 H 1 UNL111111111 0.1763 27 H -0.9774 1.5790 -2.1675 H 1 UNL111111111 0.1764 28 H -1.6766 1.4262 -0.5627 H 1 UNL111111111 0.2026 29 H 1.3420 -1.5190 -1.1246 H 1 UNL111111111 0.3831 30 H -4.4364 -2.0270 -1.0909 H 1 UNL111111111 0.1648 31 H -3.3453 -3.0874 -0.1441 H 1 UNL111111111 0.1349 32 H -2.9069 -2.5753 -1.8058 H 1 UNL111111111 0.1567 33 H 3.3802 2.3920 0.2814 H 1 UNL111111111 0.1427 34 H -6.0325 0.9455 -0.6735 H 1 UNL111111111 0.3601 35 H 5.3902 -2.1829 0.1763 H 1 UNL111111111 0.1728 36 H 5.7146 2.0368 0.9830 H 1 UNL111111111 0.1517 37 H 6.7258 -0.2003 0.9548 H 1 UNL111111111 0.1418 @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