@MOLECULE S-[(1R,2R)-2-methylcyclopropyl] 2,2-dimethylpentanethioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.1045 1.2628 -0.0137 C.3 1 UNL11111111 -0.4408 2 C 4.1178 0.0940 -0.0311 C.3 1 UNL11111111 -0.2464 3 C 2.6765 0.6140 -0.0199 C.3 1 UNL11111111 -0.2836 4 C 1.6024 -0.5001 -0.0330 C.3 1 UNL11111111 0.0219 5 C 1.7183 -1.3476 -1.3017 C.3 1 UNL11111111 -0.4548 6 C 1.7083 -1.3690 1.2230 C.3 1 UNL11111111 -0.4557 7 C 0.2500 0.2109 -0.0212 C.2 1 UNL11111111 0.4132 8 O 0.1245 1.4007 0.0252 O.2 1 UNL11111111 -0.4357 9 S -1.2368 -0.8449 -0.0839 S.3 1 UNL11111111 -0.1021 10 C -2.5532 0.3691 0.0695 C.3 1 UNL11111111 -0.2274 11 H -2.2662 1.3481 -0.3409 H 1 UNL11111111 0.1933 12 C -3.4708 0.3336 1.2682 C.3 1 UNL11111111 -0.3280 13 C -3.9867 -0.1036 -0.0856 C.3 1 UNL11111111 -0.1107 14 H -4.1818 -1.1729 -0.2421 H 1 UNL11111111 0.1598 15 C -4.9554 0.7691 -0.8370 C.3 1 UNL11111111 -0.4374 16 H 4.9747 1.8840 0.8799 H 1 UNL11111111 0.1455 17 H 6.1407 0.9081 -0.0207 H 1 UNL11111111 0.1397 18 H 4.9724 1.9117 -0.8871 H 1 UNL11111111 0.1452 19 H 4.2970 -0.5308 -0.9262 H 1 UNL11111111 0.1332 20 H 4.2993 -0.5601 0.8422 H 1 UNL11111111 0.1334 21 H 2.5220 1.2566 0.8707 H 1 UNL11111111 0.1544 22 H 2.5173 1.2846 -0.8886 H 1 UNL11111111 0.1536 23 H 2.7147 -1.8010 -1.3808 H 1 UNL11111111 0.1549 24 H 1.0015 -2.1773 -1.3241 H 1 UNL11111111 0.1601 25 H 1.5635 -0.7476 -2.2067 H 1 UNL11111111 0.1549 26 H 1.5627 -0.7801 2.1369 H 1 UNL11111111 0.1547 27 H 0.9779 -2.1870 1.2338 H 1 UNL11111111 0.1602 28 H 2.6979 -1.8375 1.2936 H 1 UNL11111111 0.1553 29 H -3.3291 -0.3996 2.0582 H 1 UNL11111111 0.1654 30 H -3.8053 1.2730 1.7032 H 1 UNL11111111 0.1641 31 H -4.7783 1.8392 -0.6680 H 1 UNL11111111 0.1525 32 H -4.8847 0.5961 -1.9199 H 1 UNL11111111 0.1540 33 H -5.9904 0.5603 -0.5343 H 1 UNL11111111 0.1533 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 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 13 14 1 14 10 13 1 15 13 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 5 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 6 28 1 29 12 29 1 30 12 30 1 31 15 31 1 32 15 32 1 33 15 33 1