@MOLECULE S-ethyl cyclopentanecarbothioate 24 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.6132 -1.1484 0.4642 C.3 1 UNL111 -0.2538 2 C -3.1514 -1.1249 0.4153 C.3 1 UNL111 -0.2604 3 C -3.5659 0.2755 -0.0793 C.3 1 UNL111 -0.2634 4 C -2.2705 1.0561 -0.3604 C.3 1 UNL111 -0.2581 5 C -1.1609 -0.0085 -0.4718 C.3 1 UNL111 -0.1974 6 C 0.1735 0.5353 -0.0521 C.2 1 UNL111 0.4204 7 O 0.3529 1.5802 0.5056 O.2 1 UNL111 -0.4322 8 S 1.5796 -0.5439 -0.4566 S.3 1 UNL111 -0.1415 9 C 2.9897 0.4083 0.2506 C.3 1 UNL111 -0.2643 10 C 4.2362 -0.4551 0.2304 C.3 1 UNL111 -0.4372 11 H -1.2578 -0.9787 1.4965 H 1 UNL111 0.1457 12 H -1.2098 -2.1242 0.1506 H 1 UNL111 0.1442 13 H -3.5314 -1.9056 -0.2646 H 1 UNL111 0.1341 14 H -3.5819 -1.3437 1.4054 H 1 UNL111 0.1353 15 H -4.1853 0.2000 -0.9881 H 1 UNL111 0.1333 16 H -4.1844 0.7961 0.6694 H 1 UNL111 0.1361 17 H -2.3430 1.6662 -1.2732 H 1 UNL111 0.1384 18 H -2.0542 1.7630 0.4637 H 1 UNL111 0.1599 19 H -1.1206 -0.3820 -1.5245 H 1 UNL111 0.1691 20 H 3.1306 1.3360 -0.3358 H 1 UNL111 0.1621 21 H 2.7345 0.7287 1.2797 H 1 UNL111 0.1665 22 H 4.5357 -0.7412 -0.7873 H 1 UNL111 0.1543 23 H 5.0876 0.0862 0.6689 H 1 UNL111 0.1530 24 H 4.1202 -1.3812 0.8106 H 1 UNL111 0.1559 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 5 1 6 5 6 1 7 6 7 2 8 6 8 1 9 8 9 1 10 9 10 1 11 1 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 3 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 9 20 1 21 9 21 1 22 10 22 1 23 10 23 1 24 10 24 1