@MOLECULE S-isohexyl (1S,2S)-2-methylcyclopropanecarbothioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5180 -0.3881 0.1740 C.3 1 UNL11111111 -0.0802 2 H 4.3815 -1.4262 0.5149 H 1 UNL11111111 0.1723 3 C 5.7151 -0.2132 -0.7163 C.3 1 UNL11111111 -0.4415 4 C 4.0939 0.7185 1.1031 C.3 1 UNL11111111 -0.2954 5 C 3.2514 0.4164 -0.1258 C.3 1 UNL11111111 -0.3065 6 H 3.2836 1.1281 -0.9606 H 1 UNL11111111 0.1875 7 C 1.9514 -0.2505 0.0916 C.2 1 UNL11111111 0.4410 8 O 1.8036 -1.3064 0.6431 O.2 1 UNL11111111 -0.4405 9 S 0.5340 0.6823 -0.5380 S.3 1 UNL11111111 -0.1145 10 C -0.8663 -0.4176 -0.0765 C.3 1 UNL11111111 -0.2925 11 C -2.1803 0.3138 -0.3232 C.3 1 UNL11111111 -0.2686 12 C -3.3578 -0.5912 0.0717 C.3 1 UNL11111111 -0.2872 13 C -4.7106 0.0719 -0.2510 C.3 1 UNL11111111 -0.0589 14 C -5.8299 -0.9739 -0.1603 C.3 1 UNL11111111 -0.4555 15 C -5.0021 1.2296 0.7107 C.3 1 UNL11111111 -0.4539 16 H 6.6368 -0.5178 -0.2009 H 1 UNL11111111 0.1551 17 H 5.6279 -0.8290 -1.6227 H 1 UNL11111111 0.1562 18 H 5.8551 0.8253 -1.0414 H 1 UNL11111111 0.1498 19 H 3.7063 0.4733 2.0906 H 1 UNL11111111 0.1674 20 H 4.6526 1.6500 1.1415 H 1 UNL11111111 0.1627 21 H -0.8070 -1.3510 -0.6672 H 1 UNL11111111 0.1646 22 H -0.7651 -0.7174 0.9847 H 1 UNL11111111 0.1689 23 H -2.2284 1.2567 0.2584 H 1 UNL11111111 0.1501 24 H -2.2811 0.6076 -1.3875 H 1 UNL11111111 0.1471 25 H -3.2822 -1.5566 -0.4641 H 1 UNL11111111 0.1402 26 H -3.3061 -0.8384 1.1481 H 1 UNL11111111 0.1428 27 H -4.6785 0.4694 -1.2942 H 1 UNL11111111 0.1292 28 H -5.8927 -1.4072 0.8436 H 1 UNL11111111 0.1454 29 H -6.8052 -0.5307 -0.3881 H 1 UNL11111111 0.1427 30 H -5.6696 -1.7948 -0.8671 H 1 UNL11111111 0.1421 31 H -5.0284 0.8894 1.7515 H 1 UNL11111111 0.1457 32 H -4.2412 2.0138 0.6392 H 1 UNL11111111 0.1421 33 H -5.9703 1.6923 0.4912 H 1 UNL11111111 0.1423 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 5 1 7 5 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 15 33 1