@MOLECULE S-cyclopentyl 3,3-dimethylbutanethioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0143 1.3974 -0.9032 C.3 1 UNL11111111 -0.4739 2 C -3.2445 0.1194 -0.0873 C.3 1 UNL11111111 0.1590 3 C -3.5128 0.4708 1.3806 C.3 1 UNL11111111 -0.4745 4 C -4.4623 -0.6321 -0.6571 C.3 1 UNL11111111 -0.4741 5 C -2.0169 -0.8218 -0.2025 C.3 1 UNL11111111 -0.3998 6 C -0.7300 -0.1964 0.2233 C.2 1 UNL11111111 0.4654 7 O -0.5817 0.8302 0.8191 O.2 1 UNL11111111 -0.4367 8 S 0.7320 -1.1873 -0.2497 S.3 1 UNL11111111 -0.1985 9 C 2.1250 -0.1587 0.3897 C.3 1 UNL11111111 -0.1005 10 C 3.4268 -0.9746 0.3802 C.3 1 UNL11111111 -0.2775 11 C 4.5394 -0.0087 -0.0819 C.3 1 UNL11111111 -0.2614 12 C 3.8827 1.3690 -0.2838 C.3 1 UNL11111111 -0.2626 13 C 2.3819 1.0876 -0.4664 C.3 1 UNL11111111 -0.2777 14 H -2.2039 2.0041 -0.4774 H 1 UNL11111111 0.1656 15 H -2.7533 1.1758 -1.9422 H 1 UNL11111111 0.1438 16 H -3.9103 2.0270 -0.9144 H 1 UNL11111111 0.1467 17 H -4.3935 1.1141 1.4795 H 1 UNL11111111 0.1464 18 H -3.6849 -0.4217 1.9890 H 1 UNL11111111 0.1421 19 H -2.6672 1.0156 1.8230 H 1 UNL11111111 0.1693 20 H -4.3235 -0.8860 -1.7126 H 1 UNL11111111 0.1448 21 H -4.6567 -1.5601 -0.1107 H 1 UNL11111111 0.1443 22 H -5.3678 -0.0191 -0.5873 H 1 UNL11111111 0.1494 23 H -2.2038 -1.7330 0.4102 H 1 UNL11111111 0.1816 24 H -1.9487 -1.1863 -1.2517 H 1 UNL11111111 0.1806 25 H 1.8656 0.1482 1.4298 H 1 UNL11111111 0.1618 26 H 3.6430 -1.3820 1.3827 H 1 UNL11111111 0.1419 27 H 3.3851 -1.8493 -0.2927 H 1 UNL11111111 0.1486 28 H 5.3569 0.0424 0.6536 H 1 UNL11111111 0.1349 29 H 4.9913 -0.3645 -1.0229 H 1 UNL11111111 0.1359 30 H 4.0543 2.0158 0.5936 H 1 UNL11111111 0.1381 31 H 4.3052 1.9010 -1.1494 H 1 UNL11111111 0.1357 32 H 2.1541 0.9191 -1.5339 H 1 UNL11111111 0.1500 33 H 1.7574 1.9400 -0.1483 H 1 UNL11111111 0.1511 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 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 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 4 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