@MOLECULE S-(3,3-dimethylbutyl) (1S,2S)-2-methylcyclobutanecarbothioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.9228 0.6385 -0.1735 C.3 1 UNL1 -0.0335 2 H 3.5683 1.4332 -0.8579 H 1 UNL1 0.0305 3 C 4.8419 1.2081 0.8852 C.3 1 UNL1 -0.0617 4 C 4.4680 -0.6061 -0.9330 C.3 1 UNL1 -0.0491 5 C 3.2746 -1.4501 -0.4198 C.3 1 UNL1 -0.0422 6 C 2.7480 -0.2307 0.3910 C.3 1 UNL1 0.0304 7 H 2.8161 -0.3735 1.4861 H 1 UNL1 0.0389 8 C 1.3945 0.2300 -0.0246 C.2 1 UNL1 0.1927 9 O 1.1638 1.1757 -0.7236 O.2 1 UNL1 -0.2849 10 S 0.0415 -0.7895 0.6314 S.3 1 UNL1 -0.0878 11 C -1.4250 0.0911 -0.0477 C.3 1 UNL1 0.0014 12 C -2.6924 -0.6304 0.3875 C.3 1 UNL1 -0.0387 13 C -3.9790 0.1075 -0.0674 C.3 1 UNL1 -0.0370 14 C -4.0008 0.2707 -1.5937 C.3 1 UNL1 -0.0600 15 C -5.1875 -0.7451 0.3627 C.3 1 UNL1 -0.0600 16 C -4.0783 1.4849 0.6043 C.3 1 UNL1 -0.0600 17 H 5.7166 1.6903 0.4305 H 1 UNL1 0.0233 18 H 4.3293 1.9672 1.4903 H 1 UNL1 0.0233 19 H 5.2133 0.4371 1.5704 H 1 UNL1 0.0233 20 H 4.5089 -0.4877 -2.0184 H 1 UNL1 0.0268 21 H 5.4469 -0.9519 -0.5942 H 1 UNL1 0.0268 22 H 2.6037 -1.8064 -1.2073 H 1 UNL1 0.0272 23 H 3.5516 -2.3085 0.1980 H 1 UNL1 0.0272 24 H -1.4118 1.1394 0.3069 H 1 UNL1 0.0381 25 H -1.3412 0.1350 -1.1505 H 1 UNL1 0.0381 26 H -2.7129 -1.6615 -0.0206 H 1 UNL1 0.0278 27 H -2.7254 -0.7417 1.4905 H 1 UNL1 0.0278 28 H -3.8580 -0.6891 -2.1008 H 1 UNL1 0.0235 29 H -4.9564 0.6846 -1.9337 H 1 UNL1 0.0235 30 H -3.2149 0.9504 -1.9405 H 1 UNL1 0.0235 31 H -5.2139 -0.8863 1.4478 H 1 UNL1 0.0235 32 H -6.1303 -0.2696 0.0722 H 1 UNL1 0.0235 33 H -5.1649 -1.7359 -0.1020 H 1 UNL1 0.0235 34 H -3.2863 2.1611 0.2658 H 1 UNL1 0.0235 35 H -5.0343 1.9681 0.3749 H 1 UNL1 0.0235 36 H -4.0025 1.4048 1.6937 H 1 UNL1 0.0235 @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 12 13 1 14 13 14 1 15 13 15 1 16 13 16 1 17 3 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 11 24 1 25 11 25 1 26 12 26 1 27 12 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 34 16 34 1 35 16 35 1 36 16 36 1