@MOLECULE S-[(1R,2R)-2-methylcyclopropyl] (1R,2S)-2-methylcyclobutanecarbothioate 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7614 -0.8391 -0.5036 C.3 1 UNL1 -0.0335 2 H -3.0588 -1.1541 -1.5196 H 1 UNL1 0.0305 3 C -2.1065 -1.9835 0.2387 C.3 1 UNL1 -0.0617 4 C -3.9164 -0.1434 0.2762 C.3 1 UNL1 -0.0491 5 C -3.1249 1.1862 0.2804 C.3 1 UNL1 -0.0422 6 C -1.9769 0.5237 -0.5350 C.3 1 UNL1 0.0304 7 H -1.8988 0.9355 -1.5591 H 1 UNL1 0.0389 8 C -0.6652 0.5045 0.1689 C.2 1 UNL1 0.1929 9 O -0.4931 0.7159 1.3347 O.2 1 UNL1 -0.2849 10 S 0.7403 0.1126 -0.9261 S.3 1 UNL1 -0.0842 11 C 2.1399 0.1941 0.1993 C.3 1 UNL1 0.0154 12 H 1.8432 0.0194 1.2434 H 1 UNL1 0.0419 13 C 3.2663 1.1615 -0.0763 C.3 1 UNL1 -0.0369 14 C 3.4844 -0.3222 -0.2795 C.3 1 UNL1 -0.0306 15 H 3.5769 -0.6937 -1.3087 H 1 UNL1 0.0309 16 C 4.3464 -1.0914 0.6846 C.3 1 UNL1 -0.0614 17 H -2.8140 -2.8090 0.3887 H 1 UNL1 0.0233 18 H -1.2475 -2.3895 -0.3109 H 1 UNL1 0.0233 19 H -1.7505 -1.6833 1.2341 H 1 UNL1 0.0233 20 H -4.8658 -0.1086 -0.2614 H 1 UNL1 0.0268 21 H -4.1076 -0.5586 1.2690 H 1 UNL1 0.0268 22 H -3.6156 2.0177 -0.2300 H 1 UNL1 0.0272 23 H -2.8267 1.5279 1.2794 H 1 UNL1 0.0272 24 H 3.2316 1.8279 -0.9348 H 1 UNL1 0.0279 25 H 3.7385 1.6733 0.7594 H 1 UNL1 0.0279 26 H 4.2656 -0.7176 1.7134 H 1 UNL1 0.0233 27 H 4.0681 -2.1542 0.7025 H 1 UNL1 0.0233 28 H 5.4060 -1.0315 0.4007 H 1 UNL1 0.0233 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 13 14 1 15 14 15 1 16 11 14 1 17 14 16 1 18 3 17 1 19 3 18 1 20 3 19 1 21 4 20 1 22 4 21 1 23 5 22 1 24 5 23 1 25 13 24 1 26 13 25 1 27 16 26 1 28 16 27 1 29 16 28 1