@MOLECULE S-isopropyl (1S)-2,2-dimethylcyclopropanecarbothioate 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7177 0.0246 0.0894 C.3 1 UNL11111111 0.1036 2 C -3.9449 -0.6250 -0.5001 C.3 1 UNL11111111 -0.4513 3 C -2.7644 1.5274 0.0423 C.3 1 UNL11111111 -0.4480 4 C -2.0254 -0.6566 1.2488 C.3 1 UNL11111111 -0.3195 5 C -1.3819 -0.7005 -0.1228 C.3 1 UNL11111111 -0.3211 6 H -1.4132 -1.6488 -0.6813 H 1 UNL11111111 0.1907 7 C -0.1330 0.0532 -0.3546 C.2 1 UNL11111111 0.4587 8 O -0.0405 1.1648 -0.7912 O.2 1 UNL11111111 -0.4316 9 S 1.3418 -0.9088 0.0941 S.3 1 UNL11111111 -0.1739 10 C 2.7197 0.3057 -0.2140 C.3 1 UNL11111111 -0.0615 11 C 2.9417 1.1618 1.0234 C.3 1 UNL11111111 -0.4558 12 C 3.9647 -0.4876 -0.5814 C.3 1 UNL11111111 -0.4547 13 H -4.0855 -0.3237 -1.5474 H 1 UNL11111111 0.1575 14 H -3.8962 -1.7204 -0.4805 H 1 UNL11111111 0.1493 15 H -4.8485 -0.3323 0.0510 H 1 UNL11111111 0.1548 16 H -3.7017 1.9142 0.4601 H 1 UNL11111111 0.1501 17 H -1.9397 1.9945 0.5980 H 1 UNL11111111 0.1610 18 H -2.6799 1.8913 -0.9929 H 1 UNL11111111 0.1660 19 H -1.5745 -0.0579 2.0369 H 1 UNL11111111 0.1658 20 H -2.4334 -1.5702 1.6725 H 1 UNL11111111 0.1637 21 H 2.4077 0.9535 -1.0713 H 1 UNL11111111 0.1652 22 H 2.0630 1.7769 1.2625 H 1 UNL11111111 0.1571 23 H 3.1796 0.5669 1.9146 H 1 UNL11111111 0.1557 24 H 3.7796 1.8564 0.8712 H 1 UNL11111111 0.1520 25 H 3.8168 -1.1145 -1.4713 H 1 UNL11111111 0.1575 26 H 4.8002 0.1900 -0.8082 H 1 UNL11111111 0.1532 27 H 4.3035 -1.1440 0.2311 H 1 UNL11111111 0.1555 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 5 1 7 5 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 10 12 1 13 2 13 1 14 2 14 1 15 2 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 10 21 1 22 11 22 1 23 11 23 1 24 11 24 1 25 12 25 1 26 12 26 1 27 12 27 1