@MOLECULE S-[(1S)-2,2-dimethylcyclopropyl] 2-methylpropanethioate 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.7844 -0.3992 0.2705 C.3 1 UNL111 -0.1511 2 C 3.0972 -1.1161 -1.0460 C.3 1 UNL111 -0.4401 3 C 3.8860 0.6016 0.6261 C.3 1 UNL111 -0.4390 4 C 1.4861 0.3542 0.0884 C.2 1 UNL111 0.4264 5 O 1.3953 1.4717 -0.3265 O.2 1 UNL111 -0.4196 6 S 0.0036 -0.5986 0.5527 S.3 1 UNL111 -0.1116 7 C -1.3137 0.5063 0.0426 C.3 1 UNL111 -0.2520 8 H -1.1540 1.5205 0.4347 H 1 UNL111 0.1863 9 C -1.9564 0.3675 -1.3181 C.3 1 UNL111 -0.3400 10 C -2.7487 -0.0004 -0.0806 C.3 1 UNL111 0.0828 11 C -3.0885 -1.4464 0.1692 C.3 1 UNL111 -0.4486 12 C -3.8335 0.9405 0.3863 C.3 1 UNL111 -0.4495 13 H 2.7052 -1.1543 1.0931 H 1 UNL111 0.1635 14 H 4.0619 -1.6347 -0.9890 H 1 UNL111 0.1529 15 H 2.3383 -1.8674 -1.2963 H 1 UNL111 0.1550 16 H 3.1564 -0.4114 -1.8860 H 1 UNL111 0.1578 17 H 3.9780 1.3851 -0.1397 H 1 UNL111 0.1644 18 H 3.6805 1.1064 1.5777 H 1 UNL111 0.1511 19 H 4.8597 0.1079 0.7138 H 1 UNL111 0.1477 20 H -2.2009 1.2667 -1.8791 H 1 UNL111 0.1651 21 H -1.6353 -0.4092 -2.0073 H 1 UNL111 0.1667 22 H -2.3861 -2.1420 -0.3085 H 1 UNL111 0.1583 23 H -3.0972 -1.6763 1.2436 H 1 UNL111 0.1569 24 H -4.0849 -1.6883 -0.2255 H 1 UNL111 0.1528 25 H -4.7831 0.7344 -0.1249 H 1 UNL111 0.1553 26 H -4.0087 0.8357 1.4652 H 1 UNL111 0.1554 27 H -3.5875 1.9929 0.1979 H 1 UNL111 0.1528 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 7 10 1 11 10 11 1 12 10 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 9 20 1 21 9 21 1 22 11 22 1 23 11 23 1 24 11 24 1 25 12 25 1 26 12 26 1 27 12 27 1