@MOLECULE S-[(1R)-2,2-dimethylcyclobutyl] (2R)-2-methylpentanethioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.1859 0.5237 -0.3355 C.3 1 UNL11111111 -0.1725 2 H -2.1268 0.3349 -1.4365 H 1 UNL11111111 0.1660 3 C -2.5433 1.9930 -0.0939 C.3 1 UNL11111111 -0.4386 4 C -3.2259 -0.4328 0.2742 C.3 1 UNL11111111 -0.2706 5 C -4.5452 -0.4057 -0.5060 C.3 1 UNL11111111 -0.2480 6 C -5.5444 -1.3943 0.0949 C.3 1 UNL11111111 -0.4407 7 C -0.8601 0.2730 0.3452 C.2 1 UNL11111111 0.4302 8 O -0.7310 0.0223 1.5089 O.2 1 UNL11111111 -0.4360 9 S 0.5803 0.4032 -0.7551 S.3 1 UNL11111111 -0.1429 10 C 1.9809 0.2331 0.3912 C.3 1 UNL11111111 -0.1859 11 H 1.5975 -0.0763 1.3846 H 1 UNL11111111 0.1798 12 C 3.1897 -0.6556 -0.0755 C.3 1 UNL11111111 0.1102 13 C 3.4954 -1.7624 0.9229 C.3 1 UNL11111111 -0.4680 14 C 3.1428 -1.2097 -1.4868 C.3 1 UNL11111111 -0.4638 15 C 4.1234 0.5924 0.0662 C.3 1 UNL11111111 -0.3099 16 C 2.9110 1.4681 0.4648 C.3 1 UNL11111111 -0.2788 17 H -2.6118 2.2214 0.9779 H 1 UNL11111111 0.1582 18 H -1.8017 2.6721 -0.5327 H 1 UNL11111111 0.1554 19 H -3.5132 2.2406 -0.5416 H 1 UNL11111111 0.1525 20 H -2.8226 -1.4647 0.2888 H 1 UNL11111111 0.1468 21 H -3.4016 -0.1728 1.3367 H 1 UNL11111111 0.1565 22 H -4.9751 0.6137 -0.4955 H 1 UNL11111111 0.1346 23 H -4.3658 -0.6491 -1.5702 H 1 UNL11111111 0.1341 24 H -6.4975 -1.3737 -0.4447 H 1 UNL11111111 0.1403 25 H -5.1667 -2.4222 0.0555 H 1 UNL11111111 0.1447 26 H -5.7564 -1.1615 1.1447 H 1 UNL11111111 0.1453 27 H 2.7148 -2.5334 0.9104 H 1 UNL11111111 0.1542 28 H 4.4485 -2.2531 0.6930 H 1 UNL11111111 0.1509 29 H 3.5641 -1.3838 1.9496 H 1 UNL11111111 0.1507 30 H 2.9839 -0.4303 -2.2414 H 1 UNL11111111 0.1540 31 H 4.0878 -1.7063 -1.7413 H 1 UNL11111111 0.1476 32 H 2.3449 -1.9538 -1.6065 H 1 UNL11111111 0.1580 33 H 4.8899 0.4970 0.8375 H 1 UNL11111111 0.1442 34 H 4.6161 0.8937 -0.8600 H 1 UNL11111111 0.1439 35 H 2.6918 2.2758 -0.2404 H 1 UNL11111111 0.1517 36 H 2.9768 1.9152 1.4619 H 1 UNL11111111 0.1456 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 12 13 1 13 12 14 1 14 12 15 1 15 15 16 1 16 10 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 6 24 1 25 6 25 1 26 6 26 1 27 13 27 1 28 13 28 1 29 13 29 1 30 14 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 16 36 1