@MOLECULE 5-[(3s)-1,2-dithiolan-3-yl]pentanoic acid 26 26 0 0 0 SMALL USER_CHARGES @ATOM 1 S 2.9199 1.2538 0.1876 S.3 1 UNL111111111 -0.0748 2 S 4.3746 -0.1476 -0.2824 S.3 1 UNL111111111 -0.0228 3 O -5.7742 -0.8230 0.1329 O.3 1 UNL111111111 -0.5725 4 O -4.9404 1.1081 -0.5882 O.2 1 UNL111111111 -0.5051 5 C 1.5345 0.0493 0.4878 C.3 1 UNL111111111 -0.1395 6 C 0.2051 0.6760 0.0771 C.3 1 UNL111111111 -0.2854 7 C 1.8579 -1.2339 -0.2848 C.3 1 UNL111111111 -0.2916 8 C -0.9534 -0.2966 0.3552 C.3 1 UNL111111111 -0.2690 9 C -2.2873 0.3597 -0.0067 C.3 1 UNL111111111 -0.2516 10 C 3.3136 -1.6367 -0.0788 C.3 1 UNL111111111 -0.3229 11 C -3.4408 -0.6048 0.2794 C.3 1 UNL111111111 -0.3472 12 C -4.7376 0.0231 -0.1127 C.2 1 UNL111111111 0.6447 13 H 1.5217 -0.1612 1.5836 H 1 UNL111111111 0.1574 14 H 0.0244 1.6200 0.6372 H 1 UNL111111111 0.1570 15 H 0.2051 0.9637 -0.9937 H 1 UNL111111111 0.1589 16 H 1.6280 -1.1114 -1.3662 H 1 UNL111111111 0.1645 17 H 1.1896 -2.0537 0.0538 H 1 UNL111111111 0.1558 18 H -0.8207 -1.2267 -0.2237 H 1 UNL111111111 0.1378 19 H -0.9495 -0.5917 1.4224 H 1 UNL111111111 0.1406 20 H -2.4159 1.3008 0.5667 H 1 UNL111111111 0.1561 21 H -2.2987 0.6657 -1.0707 H 1 UNL111111111 0.1573 22 H 3.4804 -2.0761 0.9239 H 1 UNL111111111 0.1634 23 H 3.6335 -2.4027 -0.8087 H 1 UNL111111111 0.1686 24 H -3.4671 -0.8883 1.3558 H 1 UNL111111111 0.1815 25 H -3.2965 -1.5589 -0.2681 H 1 UNL111111111 0.1808 26 H -6.6582 -0.4491 -0.1106 H 1 UNL111111111 0.3580 @BOND 1 16 7 1 2 21 9 1 3 15 6 1 4 23 10 1 5 4 12 2 6 7 10 1 7 7 17 1 8 7 5 1 9 2 10 1 10 2 1 1 11 25 11 1 12 18 8 1 13 12 3 1 14 12 11 1 15 26 3 1 16 10 22 1 17 9 11 1 18 9 8 1 19 9 20 1 20 6 8 1 21 6 5 1 22 6 14 1 23 1 5 1 24 11 24 1 25 8 19 1 26 5 13 1