@MOLECULE S-[(1S,2R)-2-methylcyclobutyl] 3,3-dimethylcyclobutanecarbothioate 34 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.8737 -0.9830 0.5733 C.3 1 UNL11111111 -0.2946 2 C 3.5863 0.1938 -0.1676 C.3 1 UNL11111111 0.1079 3 C 4.8372 0.6906 0.5358 C.3 1 UNL11111111 -0.4665 4 C 3.8499 -0.0856 -1.6363 C.3 1 UNL11111111 -0.4668 5 C 2.3276 1.0886 0.0822 C.3 1 UNL11111111 -0.2893 6 C 1.6343 -0.0828 0.8352 C.3 1 UNL11111111 -0.2194 7 C 0.3894 -0.5551 0.1630 C.2 1 UNL11111111 0.4346 8 O 0.3073 -1.5002 -0.5680 O.2 1 UNL11111111 -0.4305 9 S -1.0679 0.4658 0.5444 S.3 1 UNL11111111 -0.1389 10 C -2.3847 -0.3898 -0.3775 C.3 1 UNL11111111 -0.1659 11 H -1.9389 -0.8946 -1.2564 H 1 UNL11111111 0.1712 12 C -3.6361 0.4680 -0.7536 C.3 1 UNL11111111 -0.0784 13 H -3.8426 0.4037 -1.8397 H 1 UNL11111111 0.1380 14 C -3.6912 1.9124 -0.3060 C.3 1 UNL11111111 -0.4534 15 C -4.5292 -0.5012 0.0802 C.3 1 UNL11111111 -0.2954 16 C -3.2796 -1.3299 0.4683 C.3 1 UNL11111111 -0.2765 17 H 2.6733 -1.8575 -0.0561 H 1 UNL11111111 0.1654 18 H 3.3784 -1.3286 1.4764 H 1 UNL11111111 0.1438 19 H 5.6391 -0.0563 0.4941 H 1 UNL11111111 0.1493 20 H 5.2187 1.6072 0.0711 H 1 UNL11111111 0.1482 21 H 4.6515 0.9116 1.5932 H 1 UNL11111111 0.1471 22 H 2.9519 -0.4606 -2.1451 H 1 UNL11111111 0.1575 23 H 4.1741 0.8174 -2.1655 H 1 UNL11111111 0.1473 24 H 4.6322 -0.8432 -1.7638 H 1 UNL11111111 0.1497 25 H 2.5091 1.9711 0.6996 H 1 UNL11111111 0.1487 26 H 1.8237 1.4182 -0.8301 H 1 UNL11111111 0.1529 27 H 1.4746 0.1210 1.9108 H 1 UNL11111111 0.1711 28 H -2.9205 2.5210 -0.7967 H 1 UNL11111111 0.1557 29 H -4.6628 2.3589 -0.5557 H 1 UNL11111111 0.1464 30 H -3.5625 2.0252 0.7778 H 1 UNL11111111 0.1554 31 H -5.0395 -0.0324 0.9244 H 1 UNL11111111 0.1450 32 H -5.2739 -1.0439 -0.5054 H 1 UNL11111111 0.1403 33 H -3.2894 -2.3668 0.1172 H 1 UNL11111111 0.1469 34 H -3.0711 -1.3515 1.5423 H 1 UNL11111111 0.1530 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 10 12 1 13 12 13 1 14 12 14 1 15 12 15 1 16 15 16 1 17 10 16 1 18 1 17 1 19 1 18 1 20 3 19 1 21 3 20 1 22 3 21 1 23 4 22 1 24 4 23 1 25 4 24 1 26 5 25 1 27 5 26 1 28 6 27 1 29 14 28 1 30 14 29 1 31 14 30 1 32 15 31 1 33 15 32 1 34 16 33 1 35 16 34 1