@MOLECULE S-[(1R,2S)-2-methylcyclopropyl] (2R)-2-methylbutanethioate 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5000 -0.3418 -0.5420 C.3 1 UNL1111111 -0.4384 2 C 3.2299 0.4782 -0.3308 C.3 1 UNL1111111 -0.2463 3 C 2.0320 -0.4156 0.0447 C.3 1 UNL1111111 -0.1735 4 H 2.0077 -1.2900 -0.6535 H 1 UNL1111111 0.1674 5 C 2.1315 -0.9193 1.4870 C.3 1 UNL1111111 -0.4375 6 C 0.7677 0.4046 -0.0667 C.2 1 UNL1111111 0.4220 7 O 0.7077 1.5908 0.0738 O.2 1 UNL1111111 -0.4221 8 S -0.7227 -0.5738 -0.4423 S.3 1 UNL1111111 -0.1042 9 C -2.0183 0.6642 -0.3257 C.3 1 UNL1111111 -0.2329 10 H -1.7738 1.5556 -0.9204 H 1 UNL1111111 0.1846 11 C -2.7848 0.8614 0.9619 C.3 1 UNL1111111 -0.3238 12 C -3.4736 0.2344 -0.2284 C.3 1 UNL1111111 -0.1028 13 H -4.1947 0.8502 -0.7871 H 1 UNL1111111 0.1558 14 C -3.8854 -1.2113 -0.1880 C.3 1 UNL1111111 -0.4382 15 H 4.7864 -0.8889 0.3631 H 1 UNL1111111 0.1430 16 H 4.3799 -1.0745 -1.3479 H 1 UNL1111111 0.1432 17 H 5.3445 0.3046 -0.8102 H 1 UNL1111111 0.1443 18 H 3.3897 1.2441 0.4538 H 1 UNL1111111 0.1524 19 H 2.9960 1.0504 -1.2514 H 1 UNL1111111 0.1465 20 H 1.3055 -1.5928 1.7477 H 1 UNL1111111 0.1547 21 H 3.0628 -1.4781 1.6420 H 1 UNL1111111 0.1545 22 H 2.1261 -0.0908 2.2076 H 1 UNL1111111 0.1562 23 H -2.5603 0.2599 1.8395 H 1 UNL1111111 0.1675 24 H -3.0416 1.8720 1.2730 H 1 UNL1111111 0.1631 25 H -4.9282 -1.3117 0.1441 H 1 UNL1111111 0.1509 26 H -3.8114 -1.6771 -1.1807 H 1 UNL1111111 0.1557 27 H -3.2784 -1.8133 0.5010 H 1 UNL1111111 0.1577 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 12 13 1 13 9 12 1 14 12 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 5 20 1 21 5 21 1 22 5 22 1 23 11 23 1 24 11 24 1 25 14 25 1 26 14 26 1 27 14 27 1