@MOLECULE S-[(1R)-2,2-dimethylcyclobutyl] cyclopropanecarbothioate 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.9188 0.8922 0.3553 C.3 1 UNL1111111 -0.2723 2 C -4.0810 -0.4183 -0.3579 C.3 1 UNL1111111 -0.2720 3 C -2.8534 -0.1830 0.5109 C.3 1 UNL1111111 -0.2748 4 C -1.5672 0.0324 -0.1887 C.2 1 UNL1111111 0.4428 5 O -1.4281 0.7137 -1.1670 O.2 1 UNL1111111 -0.4405 6 S -0.1714 -0.8464 0.5592 S.3 1 UNL1111111 -0.1172 7 C 1.2273 -0.3622 -0.4965 C.3 1 UNL1111111 -0.1862 8 H 0.8349 0.0871 -1.4310 H 1 UNL1111111 0.1787 9 C 2.3666 0.5145 0.1401 C.3 1 UNL1111111 0.1111 10 C 2.6079 1.7892 -0.6552 C.3 1 UNL1111111 -0.4681 11 C 2.2631 0.8229 1.6214 C.3 1 UNL1111111 -0.4612 12 C 3.3852 -0.6293 -0.1833 C.3 1 UNL1111111 -0.3113 13 C 2.2408 -1.5040 -0.7509 C.3 1 UNL1111111 -0.2747 14 H -3.6833 1.7900 -0.2183 H 1 UNL1111111 0.1739 15 H -4.5488 1.1401 1.2051 H 1 UNL1111111 0.1577 16 H -4.8294 -1.1354 -0.0313 H 1 UNL1111111 0.1588 17 H -3.9650 -0.4588 -1.4412 H 1 UNL1111111 0.1706 18 H -2.7931 -0.7116 1.4710 H 1 UNL1111111 0.1853 19 H 1.7693 2.4886 -0.5459 H 1 UNL1111111 0.1563 20 H 3.5140 2.3045 -0.3167 H 1 UNL1111111 0.1503 21 H 2.7270 1.5902 -1.7264 H 1 UNL1111111 0.1500 22 H 2.1303 -0.0791 2.2309 H 1 UNL1111111 0.1548 23 H 3.1749 1.3175 1.9807 H 1 UNL1111111 0.1468 24 H 1.4231 1.4949 1.8401 H 1 UNL1111111 0.1565 25 H 4.1534 -0.3567 -0.9092 H 1 UNL1111111 0.1441 26 H 3.8853 -1.0476 0.6922 H 1 UNL1111111 0.1439 27 H 2.0702 -2.4322 -0.1963 H 1 UNL1111111 0.1515 28 H 2.3504 -1.7726 -1.8064 H 1 UNL1111111 0.1454 @BOND 1 1 2 1 2 2 3 1 3 1 3 1 4 3 4 1 5 4 5 2 6 4 6 1 7 6 7 1 8 7 8 1 9 7 9 1 10 9 10 1 11 9 11 1 12 9 12 1 13 12 13 1 14 7 13 1 15 1 14 1 16 1 15 1 17 2 16 1 18 2 17 1 19 3 18 1 20 10 19 1 21 10 20 1 22 10 21 1 23 11 22 1 24 11 23 1 25 11 24 1 26 12 25 1 27 12 26 1 28 13 27 1 29 13 28 1