@MOLECULE S-(1-methylcyclopropyl) 2,2-dimethylbutanethioate 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.2369 0.6117 -0.1847 C.3 1 UNL111 -0.4343 2 C 2.7501 0.9511 -0.2417 C.3 1 UNL111 -0.2608 3 C 1.8152 -0.2563 0.0189 C.3 1 UNL111 0.0210 4 C 2.0039 -1.3278 -1.0575 C.3 1 UNL111 -0.4540 5 C 2.0539 -0.8309 1.4168 C.3 1 UNL111 -0.4540 6 C 0.3867 0.2818 -0.0644 C.2 1 UNL111 0.4113 7 O 0.1232 1.4189 -0.3284 O.2 1 UNL111 -0.4313 8 S -0.9509 -0.9128 0.2694 S.3 1 UNL111 -0.1296 9 C -2.4474 0.1028 0.1510 C.3 1 UNL111 -0.0052 10 C -2.6002 1.0692 1.2862 C.3 1 UNL111 -0.4421 11 C -2.9557 0.4787 -1.2263 C.3 1 UNL111 -0.3100 12 C -3.6661 -0.5862 -0.4319 C.3 1 UNL111 -0.3222 13 H 4.5324 0.2280 0.7979 H 1 UNL111 0.1421 14 H 4.5162 -0.1382 -0.9326 H 1 UNL111 0.1422 15 H 4.8446 1.5041 -0.3792 H 1 UNL111 0.1434 16 H 2.5236 1.7498 0.4942 H 1 UNL111 0.1499 17 H 2.5074 1.3907 -1.2311 H 1 UNL111 0.1514 18 H 3.0453 -1.6734 -1.0852 H 1 UNL111 0.1565 19 H 1.3871 -2.2172 -0.8809 H 1 UNL111 0.1590 20 H 1.7617 -0.9468 -2.0569 H 1 UNL111 0.1534 21 H 1.8170 -0.1033 2.2024 H 1 UNL111 0.1531 22 H 1.4631 -1.7346 1.6095 H 1 UNL111 0.1598 23 H 3.1053 -1.1173 1.5468 H 1 UNL111 0.1560 24 H -1.8009 1.8295 1.2797 H 1 UNL111 0.1715 25 H -3.5496 1.6206 1.2305 H 1 UNL111 0.1544 26 H -2.5803 0.5729 2.2671 H 1 UNL111 0.1591 27 H -3.4150 1.4545 -1.3701 H 1 UNL111 0.1642 28 H -2.3940 0.2117 -2.1187 H 1 UNL111 0.1669 29 H -3.6251 -1.6240 -0.7549 H 1 UNL111 0.1663 30 H -4.6428 -0.3825 0.0019 H 1 UNL111 0.1618 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 9 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 4 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 5 23 1 24 10 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1