@MOLECULE S-isobutyl cyclohexanecarbothioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.9481 -1.2753 -0.2070 C.3 1 UNL11111111 -0.2608 2 C -3.4049 -1.3705 -0.6753 C.3 1 UNL11111111 -0.2599 3 C -4.3057 -0.4705 0.1806 C.3 1 UNL11111111 -0.2654 4 C -3.8230 0.9847 0.1225 C.3 1 UNL11111111 -0.2598 5 C -2.3685 1.0897 0.5958 C.3 1 UNL11111111 -0.2610 6 C -1.4680 0.1864 -0.2669 C.3 1 UNL11111111 -0.1918 7 C -0.0710 0.2474 0.2964 C.2 1 UNL11111111 0.4188 8 O 0.2409 -0.1700 1.3752 O.2 1 UNL11111111 -0.4347 9 S 1.1461 1.0379 -0.7937 S.3 1 UNL11111111 -0.1332 10 C 2.7135 0.8601 0.1375 C.3 1 UNL11111111 -0.3152 11 C 3.5609 -0.3275 -0.3350 C.3 1 UNL11111111 -0.0532 12 C 4.9222 -0.2608 0.3755 C.3 1 UNL11111111 -0.4586 13 C 2.8823 -1.6656 -0.0259 C.3 1 UNL11111111 -0.4562 14 H -1.8554 -1.6611 0.8283 H 1 UNL11111111 0.1568 15 H -1.3019 -1.9171 -0.8335 H 1 UNL11111111 0.1376 16 H -3.4829 -1.0814 -1.7401 H 1 UNL11111111 0.1365 17 H -3.7517 -2.4187 -0.6183 H 1 UNL11111111 0.1331 18 H -5.3525 -0.5386 -0.1661 H 1 UNL11111111 0.1296 19 H -4.3075 -0.8259 1.2284 H 1 UNL11111111 0.1401 20 H -3.9168 1.3736 -0.9087 H 1 UNL11111111 0.1370 21 H -4.4707 1.6252 0.7490 H 1 UNL11111111 0.1332 22 H -2.0247 2.1394 0.5433 H 1 UNL11111111 0.1397 23 H -2.2937 0.7924 1.6610 H 1 UNL11111111 0.1545 24 H -1.5157 0.5362 -1.3272 H 1 UNL11111111 0.1668 25 H 3.2678 1.8093 0.0111 H 1 UNL11111111 0.1609 26 H 2.4913 0.7660 1.2207 H 1 UNL11111111 0.1794 27 H 3.7345 -0.2561 -1.4372 H 1 UNL11111111 0.1378 28 H 4.8106 -0.3376 1.4630 H 1 UNL11111111 0.1501 29 H 5.5725 -1.0825 0.0563 H 1 UNL11111111 0.1478 30 H 5.4471 0.6746 0.1577 H 1 UNL11111111 0.1420 31 H 2.0315 -1.8561 -0.6882 H 1 UNL11111111 0.1468 32 H 3.5774 -2.5024 -0.1511 H 1 UNL11111111 0.1436 33 H 2.5088 -1.7005 1.0054 H 1 UNL11111111 0.1580 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 6 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 13 33 1