@MOLECULE S-cyclopentyl 2,2-dimethylbutanethioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.6636 0.8097 0.0012 C.3 1 UNL11111111 -0.4341 2 C 3.1744 1.0236 -0.2547 C.3 1 UNL11111111 -0.2634 3 C 2.2940 -0.2110 0.0617 C.3 1 UNL11111111 0.0250 4 C 2.6604 -1.3899 -0.8455 C.3 1 UNL11111111 -0.4552 5 C 2.4185 -0.5958 1.5361 C.3 1 UNL11111111 -0.4549 6 C 0.8585 0.1925 -0.2698 C.2 1 UNL11111111 0.4174 7 O 0.5784 1.1756 -0.8950 O.2 1 UNL11111111 -0.4458 8 S -0.4755 -0.9067 0.3030 S.3 1 UNL11111111 -0.1716 9 C -1.9789 -0.0125 -0.2798 C.3 1 UNL11111111 -0.1072 10 C -3.1307 -0.9951 -0.5249 C.3 1 UNL11111111 -0.2753 11 C -4.4108 -0.1523 -0.3456 C.3 1 UNL11111111 -0.2629 12 C -4.0070 1.1299 0.4120 C.3 1 UNL11111111 -0.2637 13 C -2.5109 0.9896 0.7518 C.3 1 UNL11111111 -0.2763 14 H 5.2322 1.7152 -0.2451 H 1 UNL11111111 0.1434 15 H 4.8702 0.5745 1.0510 H 1 UNL11111111 0.1422 16 H 5.0698 -0.0037 -0.6094 H 1 UNL11111111 0.1426 17 H 2.8152 1.8869 0.3411 H 1 UNL11111111 0.1475 18 H 3.0197 1.3184 -1.3138 H 1 UNL11111111 0.1545 19 H 3.7016 -1.6958 -0.6851 H 1 UNL11111111 0.1561 20 H 2.0401 -2.2738 -0.6536 H 1 UNL11111111 0.1589 21 H 2.5565 -1.1333 -1.9069 H 1 UNL11111111 0.1544 22 H 2.0648 0.2036 2.1980 H 1 UNL11111111 0.1539 23 H 1.8625 -1.5079 1.7853 H 1 UNL11111111 0.1603 24 H 3.4649 -0.7957 1.8004 H 1 UNL11111111 0.1548 25 H -1.7181 0.5217 -1.2252 H 1 UNL11111111 0.1702 26 H -3.0799 -1.4497 -1.5274 H 1 UNL11111111 0.1423 27 H -3.1285 -1.8352 0.1928 H 1 UNL11111111 0.1477 28 H -4.8545 0.0979 -1.3228 H 1 UNL11111111 0.1361 29 H -5.1781 -0.7168 0.2068 H 1 UNL11111111 0.1350 30 H -4.1821 2.0218 -0.2128 H 1 UNL11111111 0.1375 31 H -4.6108 1.2680 1.3219 H 1 UNL11111111 0.1351 32 H -2.3875 0.6279 1.7879 H 1 UNL11111111 0.1487 33 H -1.9850 1.9570 0.6970 H 1 UNL11111111 0.1468 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 9 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 5 24 1 25 9 25 1 26 10 26 1 27 10 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1