@MOLECULE sulfide, sec-butyl cyclopentyl 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.4750 1.3432 -0.4667 C.3 1 UNL11111111 -0.4391 2 C -3.1386 0.0018 0.1842 C.3 1 UNL11111111 -0.2569 3 C -1.7822 -0.5437 -0.2757 C.3 1 UNL11111111 -0.1018 4 H -1.6575 -0.3671 -1.3684 H 1 UNL11111111 0.1433 5 C -1.6675 -2.0333 0.0212 C.3 1 UNL11111111 -0.4588 6 S -0.4523 0.4002 0.6150 S.3 1 UNL11111111 -0.1370 7 C 1.0237 0.1700 -0.4717 C.3 1 UNL11111111 -0.1202 8 C 1.9975 1.3443 -0.2581 C.3 1 UNL11111111 -0.2694 9 C 3.3162 0.7356 0.2530 C.3 1 UNL11111111 -0.2603 10 C 3.2825 -0.7383 -0.1784 C.3 1 UNL11111111 -0.2613 11 C 1.7925 -1.1225 -0.1486 C.3 1 UNL11111111 -0.2789 12 H -3.4538 1.2788 -1.5599 H 1 UNL11111111 0.1404 13 H -4.4755 1.6819 -0.1750 H 1 UNL11111111 0.1403 14 H -2.7699 2.1301 -0.1709 H 1 UNL11111111 0.1581 15 H -3.1828 0.0923 1.2882 H 1 UNL11111111 0.1495 16 H -3.9291 -0.7348 -0.0705 H 1 UNL11111111 0.1400 17 H -1.7901 -2.2543 1.0899 H 1 UNL11111111 0.1588 18 H -2.4391 -2.6020 -0.5148 H 1 UNL11111111 0.1484 19 H -0.6988 -2.4473 -0.2850 H 1 UNL11111111 0.1491 20 H 0.6750 0.1539 -1.5256 H 1 UNL11111111 0.1389 21 H 2.1599 1.8796 -1.2106 H 1 UNL11111111 0.1381 22 H 1.6208 2.1078 0.4443 H 1 UNL11111111 0.1522 23 H 4.1941 1.2626 -0.1479 H 1 UNL11111111 0.1319 24 H 3.3778 0.8156 1.3524 H 1 UNL11111111 0.1396 25 H 3.6981 -0.8586 -1.1929 H 1 UNL11111111 0.1342 26 H 3.8841 -1.3768 0.4850 H 1 UNL11111111 0.1340 27 H 1.5312 -1.5239 0.8483 H 1 UNL11111111 0.1549 28 H 1.5662 -1.9227 -0.8700 H 1 UNL11111111 0.1319 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 7 11 1 12 1 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 5 17 1 18 5 18 1 19 5 19 1 20 7 20 1 21 8 21 1 22 8 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1