@MOLECULE S-(1-methylcyclopropyl) 3,3-dimethylpentanethioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.9888 0.2052 -0.0866 C.3 1 UNL11111111 -0.4335 2 C 3.6315 0.9005 0.0081 C.3 1 UNL11111111 -0.2825 3 C 2.4266 -0.0772 0.0385 C.3 1 UNL11111111 0.1434 4 C 2.3693 -0.8918 -1.2581 C.3 1 UNL11111111 -0.4724 5 C 2.5276 -1.0092 1.2497 C.3 1 UNL11111111 -0.4718 6 C 1.1519 0.8086 0.1591 C.3 1 UNL11111111 -0.4068 7 C -0.1298 0.0432 0.1055 C.2 1 UNL11111111 0.4604 8 O -0.2750 -1.1401 0.1842 O.2 1 UNL11111111 -0.4215 9 S -1.5830 1.1438 -0.0893 S.3 1 UNL11111111 -0.1516 10 C -2.9711 -0.0144 -0.1972 C.3 1 UNL11111111 -0.0113 11 C -3.1118 -0.6403 -1.5521 C.3 1 UNL11111111 -0.4394 12 C -3.3421 -0.8164 1.0343 C.3 1 UNL11111111 -0.3062 13 C -4.2045 0.3430 0.6101 C.3 1 UNL11111111 -0.3213 14 H 5.1729 -0.4434 0.7771 H 1 UNL11111111 0.1448 15 H 5.0671 -0.4138 -0.9873 H 1 UNL11111111 0.1447 16 H 5.8018 0.9393 -0.1234 H 1 UNL11111111 0.1382 17 H 3.6115 1.5330 0.9164 H 1 UNL11111111 0.1344 18 H 3.5186 1.5922 -0.8487 H 1 UNL11111111 0.1348 19 H 3.2714 -1.4997 -1.3882 H 1 UNL11111111 0.1486 20 H 1.5213 -1.5895 -1.2570 H 1 UNL11111111 0.1648 21 H 2.2733 -0.2494 -2.1382 H 1 UNL11111111 0.1430 22 H 2.6067 -0.4520 2.1875 H 1 UNL11111111 0.1415 23 H 1.6511 -1.6675 1.3248 H 1 UNL11111111 0.1686 24 H 3.4034 -1.6632 1.1774 H 1 UNL11111111 0.1478 25 H 1.2000 1.3777 1.1151 H 1 UNL11111111 0.1811 26 H 1.1798 1.5780 -0.6444 H 1 UNL11111111 0.1799 27 H -2.2626 -1.3048 -1.7804 H 1 UNL11111111 0.1670 28 H -4.0180 -1.2591 -1.6246 H 1 UNL11111111 0.1544 29 H -3.1762 0.1061 -2.3571 H 1 UNL11111111 0.1598 30 H -3.6964 -1.8379 0.9099 H 1 UNL11111111 0.1646 31 H -2.7444 -0.7533 1.9410 H 1 UNL11111111 0.1676 32 H -4.2360 1.2474 1.2138 H 1 UNL11111111 0.1668 33 H -5.1869 0.1627 0.1792 H 1 UNL11111111 0.1619 @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 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 12 13 1 13 10 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 6 25 1 26 6 26 1 27 11 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